| 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 | 56.5 | Low | 70.1 | Confident | 101 Ų | 101 | 78.7 Ų | 78.7 | 50% | 0.498 | 40% | 0.4 | S | S | . | . | 0 | 148.5 | 0 | -97.3 | 168.1 | 78.2 | 0 | 0 | 109.5 | R6 L26 V95 S99 | M1-R6 HydrophobicContact CE-CB 3.96Å; M1-L26 HydrophobicContact CE-CD1 3.75Å; M1-L26 HydrophobicContact SD-CD1 3.7Å; M1-V95 HydrophobicContact CG-CG1 4.43Å; M1-V95 HydrophobicContact SD-CG1 3.7Å; M1-S99 VanDerWaalsContact SD-CB 3.6Å | |||
| 2 | T | 65.3 | Low | 70.7 | Confident | 95 Ų | 95 | 79.6 Ų | 79.6 | 58% | 0.583 | 40% | 0.399 | S | S | * | . | trans | -77.9 | 152.8 | 169.7 | 56.8 | 0 | 0 | 0 | 0 | 110.1 | K4 S5 R6 | T2-K4 PolarHBondContact O-N 3.49Å; T2-S5 PolarHBondContact O-N 3.46Å; T2-S5 PolarHBondContact OG1-N 3.34Å; T2-R6 PolarHBondContact O-N 2.89Å | ||
| 3 | K | 61 | Low | 71.3 | Confident | 182 Ų | 182 | 73.5 Ų | 73.5 | 79% | 0.791 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -53.5 | -43.3 | 175.4 | -74.2 | -177.8 | 178.4 | 177.2 | 0 | 111.7 | S5 R6 D7 | K3-S5 PolarHBondContact O-N 3.05Å; K3-R6 WeakPolarHBondContact O-CB 3.49Å; K3-R6 PolarHBondContact O-N 3.5Å; K3-R6 VanDerWaalsContact O-N 3.11Å; K3-D7 PolarHBondContact O-N 3.25Å |
| 4 | K | 67.1 | Low | 72 | Confident | 154 Ų | 154 | 77.5 Ų | 77.5 | 67% | 0.67 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -54.7 | -51 | 177.5 | -172.1 | 177.8 | 179.6 | -178.6 | 0 | 113 | T2 R6 D7 D8 | T2-K4 PolarHBondContact O-N 3.49Å; K4-R6 PolarHBondContact O-N 3.25Å; K4-D7 PolarHBondContact O-N 3.3Å; K4-D7 VanDerWaalsContact O-N 3.15Å; K4-D8 PolarHBondContact O-N 3.14Å |
| 5 | S | 68.1 | Low | 72.3 | Confident | 33 Ų | 33 | 76.7 Ų | 76.7 | 23% | 0.231 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.8 | -28.9 | 179.9 | 169.2 | 0 | 0 | 0 | 0 | 113.2 | T2 K3 L9 | T2-S5 PolarHBondContact O-N 3.46Å; T2-S5 PolarHBondContact OG1-N 3.34Å; K3-S5 PolarHBondContact O-N 3.05Å; S5-L9 PolarHBondContact O-N 2.92Å |
| 6 | R | 68.2 | Low | 72.4 | Confident | 54 Ų | 54 | 72 Ų | 72 | 20% | 0.204 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -75.2 | -42.1 | 175 | -175.1 | 179.8 | -78.4 | 172.9 | -7.8 | 111.3 | M1 T2 K3 K4 D8 L9 L10 E27 | M1-R6 HydrophobicContact CE-CB 3.96Å; T2-R6 PolarHBondContact O-N 2.89Å; K3-R6 WeakPolarHBondContact O-CB 3.49Å; K3-R6 PolarHBondContact O-N 3.5Å; K3-R6 VanDerWaalsContact O-N 3.11Å; K4-R6 PolarHBondContact O-N 3.25Å; R6-D8 VanDerWaalsContact C-N 3.32Å; R6-L9 PolarHBondContact O-N 3.43Å; R6-L10 PolarHBondContact O-N 3.47Å; R6-E27 IonicContact CZ-OE1 2.77Å; R6-E27 IonicContact NH1-OE1 2.66Å; R6-E27 IonicContact NH2-OE1 2.76Å; R6-E27 PolarHBondContact NH2-OE1 3.11Å |
| 7 | D | 74.8 | Confident | 72.5 | Confident | 86 Ų | 86 | 71.5 Ų | 71.5 | 46% | 0.46 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 176.5 | -65.1 | -30.7 | 0 | 0 | 0 | 111.3 | K3 K4 L9 L10 S11 | K3-D7 PolarHBondContact O-N 3.25Å; K4-D7 PolarHBondContact O-N 3.3Å; K4-D7 VanDerWaalsContact O-N 3.15Å; D7-L9 VanDerWaalsContact C-N 3.34Å; D7-L9 PolarHBondContact O-N 2.73Å; D7-L10 PolarHBondContact O-N 3.21Å; D7-S11 PolarHBondContact O-N 2.91Å |
| 8 | D | 77.4 | Confident | 72.7 | Confident | 70 Ų | 70 | 70.6 Ų | 70.6 | 37% | 0.374 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.5 | -45.3 | 173.3 | -63.9 | -25.1 | 0 | 0 | 0 | 110.4 | K4 R6 L10 S11 F12 | K4-D8 PolarHBondContact O-N 3.14Å; R6-D8 VanDerWaalsContact C-N 3.32Å; D8-L10 PolarHBondContact O-N 2.82Å; D8-S11 WeakPolarHBondContact O-CA 3.48Å; D8-S11 WeakPolarHBondContact O-CB 3.45Å; D8-S11 PolarHBondContact O-N 3.27Å; D8-S11 VanDerWaalsContact O-N 3.09Å; D8-S11 PolarHBondContact O-OG 3.06Å; D8-F12 HydrophobicContact CB-CE2 4.41Å; D8-F12 WeakPolarHBondContact O-CD2 3.28Å; D8-F12 PolarHBondContact O-N 3.4Å |
| 9 | L | 75.9 | Confident | 72.5 | Confident | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.005 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 178.9 | -158.1 | 147.2 | 0 | 0 | 0 | 112.8 | S5 R6 D7 S11 F12 L13 F25 S99 L102 Q103 | S5-L9 PolarHBondContact O-N 2.92Å; R6-L9 PolarHBondContact O-N 3.43Å; D7-L9 VanDerWaalsContact C-N 3.34Å; D7-L9 PolarHBondContact O-N 2.73Å; L9-S11 VanDerWaalsContact C-N 3.27Å; L9-S11 PolarHBondContact O-N 3.3Å; L9-F12 PolarHBondContact O-N 3.18Å; L9-L13 HydrophobicContact CD2-CD1 3.55Å; L9-L13 HydrophobicContact CD2-CG 4.04Å; L9-L13 WeakPolarHBondContact O-CG 3.42Å; L9-L13 PolarHBondContact O-N 3.43Å; L9-F25 HydrophobicContact CD2-CE2 3.71Å; L9-F25 HydrophobicContact CD2-CZ 3.54Å; L9-S99 WeakPolarHBondContact CD1-O 3.39Å; L9-S99 VanDerWaalsContact CD1-OG 3.23Å; L9-S99 WeakPolarHBondContact CD1-OG 3.46Å; L9-L102 HydrophobicContact CD1-CB 4.16Å; L9-L102 HydrophobicContact CD2-CB 4.09Å; L9-L102 HydrophobicContact CD2-CD1 4.04Å; L9-Q103 HydrophobicContact CD1-CG 3.91Å; L9-Q103 HydrophobicContact CG-CG 4.42Å |
| 10 | L | 76.5 | Confident | 72.5 | Confident | 26 Ų | 26 | 71.3 Ų | 71.3 | 14% | 0.136 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.1 | -35.4 | 172.5 | -73.8 | 171.7 | 0 | 0 | 0 | 111.8 | R6 D7 D8 K14 F25 | R6-L10 PolarHBondContact O-N 3.47Å; D7-L10 PolarHBondContact O-N 3.21Å; D8-L10 PolarHBondContact O-N 2.82Å; L10-K14 WeakPolarHBondContact O-CB 3.33Å; L10-K14 WeakPolarHBondContact O-CG 3.48Å; L10-K14 PolarHBondContact O-N 2.83Å; L10-F25 HydrophobicContact CD2-CE1 3.7Å; L10-F25 HydrophobicContact CD2-CZ 4.19Å; L10-F25 HydrophobicContact CG-CE1 4.3Å |
| 11 | S | 79.8 | Confident | 71.9 | Confident | 64 Ų | 64 | 76.2 Ų | 76.2 | 45% | 0.448 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.6 | -38.9 | 174.1 | 83.1 | 0 | 0 | 0 | 0 | 112.1 | D7 D8 L9 K14 A15 | D7-S11 PolarHBondContact O-N 2.91Å; D8-S11 WeakPolarHBondContact O-CA 3.48Å; D8-S11 WeakPolarHBondContact O-CB 3.45Å; D8-S11 PolarHBondContact O-N 3.27Å; D8-S11 VanDerWaalsContact O-N 3.09Å; D8-S11 PolarHBondContact O-OG 3.06Å; L9-S11 VanDerWaalsContact C-N 3.27Å; L9-S11 PolarHBondContact O-N 3.3Å; S11-K14 PolarHBondContact O-N 3.15Å; S11-A15 WeakPolarHBondContact O-CB 3.3Å; S11-A15 PolarHBondContact O-N 2.75Å |
| 12 | F | 78.1 | Confident | 72.2 | Confident | 89 Ų | 89 | 74.1 Ų | 74.1 | 39% | 0.39 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.3 | -46 | 174.3 | -74.4 | -67.7 | 0 | 0 | 0 | 111.8 | D8 L9 K14 A15 V16 C106 M110 | D8-F12 HydrophobicContact CB-CE2 4.41Å; D8-F12 WeakPolarHBondContact O-CD2 3.28Å; D8-F12 PolarHBondContact O-N 3.4Å; L9-F12 PolarHBondContact O-N 3.18Å; F12-K14 VanDerWaalsContact C-N 3.33Å; F12-K14 PolarHBondContact O-N 3.29Å; F12-A15 WeakPolarHBondContact O-CB 3.5Å; F12-A15 PolarHBondContact O-N 2.91Å; F12-A15 VanDerWaalsContact O-N 3.14Å; F12-V16 WeakPolarHBondContact O-CG2 3.27Å; F12-V16 PolarHBondContact O-N 2.74Å; F12-C106 HydrophobicContact CB-CB 4.31Å; F12-M110 HydrophobicContact CD1-CE 3.89Å; F12-M110 HydrophobicContact CD1-SD 4.41Å |
| 13 | L | 78.6 | Confident | 72.3 | Confident | 1 Ų | 1 | 78.1 Ų | 78.1 | 1% | 0.005 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 176.6 | -71.6 | 169.1 | 0 | 0 | 0 | 111.6 | L9 A15 V16 G17 K18 Y20 F25 V35 L39 | L9-L13 HydrophobicContact CD2-CD1 3.55Å; L9-L13 HydrophobicContact CD2-CG 4.04Å; L9-L13 WeakPolarHBondContact O-CG 3.42Å; L9-L13 PolarHBondContact O-N 3.43Å; L13-A15 VanDerWaalsContact C-N 3.34Å; L13-A15 PolarHBondContact O-N 2.89Å; L13-V16 CarbonylContact O-C 3.58Å; L13-V16 PolarHBondContact O-N 3.32Å; L13-G17 PolarHBondContact O-N 3.41Å; L13-G17 VanDerWaalsContact O-N 3.12Å; L13-K18 CarbonylContact C-O 3.22Å; L13-K18 PolarHBondContact O-N 3.48Å; L13-K18 VanDerWaalsContact O-O 3.09Å; L13-Y20 HydrophobicContact CB-CD2 4.38Å; L13-Y20 HydrophobicContact CD1-CD2 3.95Å; L13-Y20 HydrophobicContact CD1-CE2 4.49Å; L13-Y20 HydrophobicContact CD2-CD2 4.43Å; L13-Y20 HydrophobicContact CD2-CE2 4.23Å; L13-Y20 HydrophobicContact CG-CD2 4.49Å; L13-F25 HydrophobicContact CD1-CE2 3.85Å; L13-F25 HydrophobicContact CD1-CZ 3.86Å; L13-V35 HydrophobicContact CD1-CG1 4.5Å; L13-V35 HydrophobicContact CD2-CG1 3.97Å; L13-L39 HydrophobicContact CD2-CD1 4.05Å; L13-L39 HydrophobicContact CD2-CD2 4.42Å |
| 14 | K | 81.3 | Confident | 72.7 | Confident | 129 Ų | 129 | 72.8 Ų | 72.8 | 56% | 0.561 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.1 | -39.7 | 173.3 | -78.2 | 179.8 | 178.2 | -176.4 | 0 | 112.5 | L10 S11 F12 V16 G17 N19 | L10-K14 WeakPolarHBondContact O-CB 3.33Å; L10-K14 WeakPolarHBondContact O-CG 3.48Å; L10-K14 PolarHBondContact O-N 2.83Å; S11-K14 PolarHBondContact O-N 3.15Å; F12-K14 VanDerWaalsContact C-N 3.33Å; F12-K14 PolarHBondContact O-N 3.29Å; K14-V16 VanDerWaalsContact C-N 3.28Å; K14-V16 PolarHBondContact O-N 2.85Å; K14-G17 WeakPolarHBondContact O-CA 3.34Å; K14-G17 PolarHBondContact O-N 3.27Å; K14-N19 WeakPolarHBondContact CE-OD1 3.29Å |
| 15 | A | 75.1 | Confident | 73.1 | Confident | 65 Ų | 65 | 65.5 Ų | 65.5 | 54% | 0.537 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.6 | -30.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S11 F12 L13 G17 M110 | S11-A15 WeakPolarHBondContact O-CB 3.3Å; S11-A15 PolarHBondContact O-N 2.75Å; F12-A15 WeakPolarHBondContact O-CB 3.5Å; F12-A15 PolarHBondContact O-N 2.91Å; F12-A15 VanDerWaalsContact O-N 3.14Å; L13-A15 VanDerWaalsContact C-N 3.34Å; L13-A15 PolarHBondContact O-N 2.89Å; A15-G17 PolarHBondContact O-N 3.34Å; A15-M110 HydrophobicContact CB-CE 3.53Å |
| 16 | V | 74.8 | Confident | 73.6 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -74 | -12.1 | 169.5 | 176.8 | 0 | 0 | 0 | 0 | 111.8 | F12 L13 K14 K18 L39 C106 I109 M110 R113 | F12-V16 WeakPolarHBondContact O-CG2 3.27Å; F12-V16 PolarHBondContact O-N 2.74Å; L13-V16 CarbonylContact O-C 3.58Å; L13-V16 PolarHBondContact O-N 3.32Å; K14-V16 VanDerWaalsContact C-N 3.28Å; K14-V16 PolarHBondContact O-N 2.85Å; V16-K18 HydrophobicContact CG1-CG 4.44Å; V16-L39 HydrophobicContact CG1-CD2 3.98Å; V16-C106 HydrophobicContact CG2-CB 4.03Å; V16-I109 HydrophobicContact CG1-CB 4.33Å; V16-I109 HydrophobicContact CG1-CD1 3.92Å; V16-I109 HydrophobicContact CG1-CG2 3.75Å; V16-I109 HydrophobicContact CG2-CB 4.47Å; V16-I109 HydrophobicContact CG2-CG2 4.34Å; V16-M110 HydrophobicContact CG2-CE 3.83Å; V16-M110 HydrophobicContact CG2-CG 4.34Å; V16-R113 VanDerWaalsContact O-CZ 3.3Å; V16-R113 PolarHBondContact O-NH1 2.73Å; V16-R113 PolarHBondContact O-NH2 3.49Å |
| 17 | G | 74.6 | Confident | 74.3 | Confident | 63 Ų | 63 | 66.1 Ų | 66.1 | 65% | 0.649 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.1 | 12.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L13 K14 A15 | L13-G17 PolarHBondContact O-N 3.41Å; L13-G17 VanDerWaalsContact O-N 3.12Å; K14-G17 WeakPolarHBondContact O-CA 3.34Å; K14-G17 PolarHBondContact O-N 3.27Å; A15-G17 PolarHBondContact O-N 3.34Å |
| 18 | K | 74.7 | Confident | 74.8 | Confident | 56 Ų | 56 | 67.3 Ų | 67.3 | 24% | 0.243 | 35% | 0.35 | C | S | . | . | trans | -103.9 | 107 | 176.1 | -63.8 | -71.7 | -169.7 | 164 | 0 | 109.3 | L13 V16 Y20 D38 L39 | L13-K18 CarbonylContact C-O 3.22Å; L13-K18 PolarHBondContact O-N 3.48Å; L13-K18 VanDerWaalsContact O-O 3.09Å; V16-K18 HydrophobicContact CG1-CG 4.44Å; K18-Y20 HydrophobicContact CB-CD2 4.09Å; K18-Y20 HydrophobicContact CB-CE2 3.43Å; K18-Y20 VanDerWaalsContact CB-CE2 3.43Å; K18-Y20 HydrophobicContact CG-CE2 4.31Å; K18-Y20 PolarHBondContact O-N 2.76Å; K18-D38 IonicContact NZ-OD1 3.68Å; K18-D38 IonicContact NZ-OD2 3.86Å; K18-D38 PolarHBondContact NZ-OD2 3.44Å; K18-L39 HydrophobicContact CG-CD2 4.41Å | ||
| 19 | N | 70.5 | Confident | 75.1 | Confident | 109 Ų | 109 | 67 Ų | 67 | 58% | 0.583 | 35% | 0.348 | S | S | * | . | trans | -95 | 97.3 | -177.7 | -161.5 | 17.7 | 0 | 0 | 0 | 110.1 | K14 | K14-N19 WeakPolarHBondContact CE-OD1 3.29Š| ||
| 20 | Y | 70.9 | Confident | 75.5 | Confident | 45 Ų | 45 | 72.3 Ų | 72.3 | 18% | 0.176 | 38% | 0.376 | C | S | . | . | trans | -97.9 | 119.9 | 173.9 | -60.9 | -78.7 | 0 | 0 | 0 | 109.6 | L13 K18 V35 D38 | L13-Y20 HydrophobicContact CB-CD2 4.38Å; L13-Y20 HydrophobicContact CD1-CD2 3.95Å; L13-Y20 HydrophobicContact CD1-CE2 4.49Å; L13-Y20 HydrophobicContact CD2-CD2 4.43Å; L13-Y20 HydrophobicContact CD2-CE2 4.23Å; L13-Y20 HydrophobicContact CG-CD2 4.49Å; K18-Y20 HydrophobicContact CB-CD2 4.09Å; K18-Y20 HydrophobicContact CB-CE2 3.43Å; K18-Y20 VanDerWaalsContact CB-CE2 3.43Å; K18-Y20 HydrophobicContact CG-CE2 4.31Å; K18-Y20 PolarHBondContact O-N 2.76Å; Y20-V35 HydrophobicContact CD1-CG2 3.79Å; Y20-V35 HydrophobicContact CD2-CG1 4.35Å; Y20-V35 HydrophobicContact CD2-CG2 4.07Å; Y20-V35 HydrophobicContact CE1-CB 4.42Å; Y20-V35 HydrophobicContact CE1-CG2 3.54Å; Y20-V35 HydrophobicContact CE2-CB 4.2Å; Y20-V35 HydrophobicContact CE2-CG1 3.68Å; Y20-V35 HydrophobicContact CE2-CG2 3.77Å; Y20-V35 HydrophobicContact CG-CG2 4.06Å; Y20-D38 PolarHBondContact OH-OD2 3.08Å | ||
| 21 | E | 60.7 | Low | 76 | Confident | 175 Ų | 175 | 73.1 Ų | 73.1 | 82% | 0.818 | 38% | 0.379 | S | S | * | . | trans | -82.7 | -29.5 | -179 | -63.4 | -174.9 | 165.5 | 0 | 0 | 112.4 | R23 | E21-R23 PolarHBondContact O-N 3.34Š| ||
| 22 | S | 62.7 | Low | 76.4 | Confident | 58 Ų | 58 | 70.1 Ų | 70.1 | 41% | 0.406 | 36% | 0.358 | S | S | . | . | trans | -67.2 | 125.2 | -177.6 | -63.7 | 0 | 0 | 0 | 0 | 111 | N24 F25 E31 | S22-N24 PolarHBondContact O-N 2.74Å; S22-F25 WeakPolarHBondContact O-CD1 3.24Å; S22-E31 WeakPolarHBondContact CB-OE2 3.28Å | ||
| 23 | R | 66.6 | Low | 77 | Confident | 179 Ų | 179 | 65.9 Ų | 65.9 | 68% | 0.675 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -7.7 | 174 | -72.8 | -179.4 | 174 | 172.4 | -1 | 114 | E21 | E21-R23 PolarHBondContact O-N 3.34Š|
| 24 | N | 70.9 | Confident | 77.4 | Confident | 69 Ų | 69 | 68.2 Ų | 68.2 | 37% | 0.369 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | 12.7 | -170.9 | -62.3 | -5.7 | 0 | 0 | 0 | 113.3 | S22 L26 E27 K28 | S22-N24 PolarHBondContact O-N 2.74Å; N24-L26 PolarHBondContact O-N 3.49Å; N24-L26 VanDerWaalsContact O-N 3.15Å; N24-E27 PolarHBondContact O-N 2.8Å; N24-K28 PolarHBondContact O-N 3.44Å; N24-K28 VanDerWaalsContact O-N 3.07Å |
| 25 | F | 75.9 | Confident | 77.8 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 0% | 0.004 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -23.7 | -178.6 | 69.5 | -79.4 | 0 | 0 | 0 | 113.9 | L9 L10 L13 S22 E31 F32 V35 L102 | L9-F25 HydrophobicContact CD2-CE2 3.71Å; L9-F25 HydrophobicContact CD2-CZ 3.54Å; L10-F25 HydrophobicContact CD2-CE1 3.7Å; L10-F25 HydrophobicContact CD2-CZ 4.19Å; L10-F25 HydrophobicContact CG-CE1 4.3Å; L13-F25 HydrophobicContact CD1-CE2 3.85Å; L13-F25 HydrophobicContact CD1-CZ 3.86Å; S22-F25 WeakPolarHBondContact O-CD1 3.24Å; F25-E31 VanDerWaalsContact CA-OE2 3.25Å; F25-E31 WeakPolarHBondContact CA-OE2 3.4Å; F25-E31 HydrophobicContact CB-CB 3.88Å; F25-E31 PolarHBondContact N-OE2 3.2Å; F25-F32 VanDerWaalsContact O-CA 3.29Å; F25-F32 WeakPolarHBondContact O-CA 3.34Å; F25-F32 VanDerWaalsContact O-CB 3.24Å; F25-F32 WeakPolarHBondContact O-CB 3.46Å; F25-F32 PolarHBondContact O-N 2.84Å; F25-F32 VanDerWaalsContact O-N 3.16Å; F25-V35 HydrophobicContact CB-CG2 4.49Å; F25-V35 HydrophobicContact CD2-CG2 4.19Å; F25-L102 HydrophobicContact CD2-CD1 3.96Å; F25-L102 HydrophobicContact CE2-CD1 3.47Å; F25-L102 VanDerWaalsContact CE2-CD1 3.47Å |
| 26 | L | 78.5 | Confident | 78.5 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -24.4 | 173.2 | -67.2 | 172.2 | 0 | 0 | 0 | 112.6 | M1 N24 V95 R98 L102 | M1-L26 HydrophobicContact CE-CD1 3.75Å; M1-L26 HydrophobicContact SD-CD1 3.7Å; N24-L26 PolarHBondContact O-N 3.49Å; N24-L26 VanDerWaalsContact O-N 3.15Å; L26-V95 HydrophobicContact CB-CG1 4.17Å; L26-V95 HydrophobicContact CD1-CG1 4.37Å; L26-R98 HydrophobicContact CD2-CB 3.85Å; L26-R98 WeakPolarHBondContact O-CD 3.48Å; L26-R98 PolarHBondContact O-NH1 3.25Å; L26-L102 HydrophobicContact CD2-CD1 3.75Å |
| 27 | E | 82.4 | Confident | 79.3 | Confident | 101 Ų | 101 | 59.6 Ų | 59.6 | 47% | 0.472 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -30.8 | -174.5 | -68 | 169.1 | -161.5 | 0 | 0 | 111.7 | R6 N24 V95 | R6-E27 IonicContact CZ-OE1 2.77Å; R6-E27 IonicContact NH1-OE1 2.66Å; R6-E27 IonicContact NH2-OE1 2.76Å; R6-E27 PolarHBondContact NH2-OE1 3.11Å; N24-E27 PolarHBondContact O-N 2.8Å; E27-V95 HydrophobicContact CG-CG2 4.46Å |
| 28 | K | 84.2 | Confident | 80 | Confident | 111 Ų | 111 | 59.2 Ų | 59.2 | 48% | 0.483 | 29% | 0.291 | S | S | . | . | trans | -99.2 | 126.2 | 178.7 | -65.5 | -179.9 | -172.9 | 170.8 | 0 | 112 | N24 N30 E31 F32 | N24-K28 PolarHBondContact O-N 3.44Å; N24-K28 VanDerWaalsContact O-N 3.07Å; K28-N30 VanDerWaalsContact C-N 3.31Å; K28-N30 PolarHBondContact O-N 3.42Å; K28-E31 HydrophobicContact CB-CB 4.3Å; K28-E31 HydrophobicContact CB-CG 4.33Å; K28-E31 HydrophobicContact CD-CG 4.3Å; K28-E31 VanDerWaalsContact CD-OE1 3.28Å; K28-E31 WeakPolarHBondContact CD-OE1 3.4Å; K28-E31 IonicContact NZ-OE1 2.9Å; K28-E31 PolarHBondContact NZ-OE1 3.38Å; K28-E31 PolarHBondContact O-N 3.04Å; K28-F32 WeakPolarHBondContact O-CB 3.22Å; K28-F32 PolarHBondContact O-N 3.44Å | ||
| 29 | D | 84.6 | Confident | 80.7 | Confident | 63 Ų | 63 | 56.5 Ų | 56.5 | 34% | 0.337 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63 | -36.8 | -175.4 | -61.9 | 2.3 | 0 | 0 | 0 | 112.6 | F32 S33 L56 Y62 R98 | D29-F32 PolarHBondContact O-N 3.39Å; D29-S33 VanDerWaalsContact O-CB 3.27Å; D29-S33 WeakPolarHBondContact O-CB 3.38Å; D29-S33 PolarHBondContact O-N 2.91Å; D29-S33 PolarHBondContact O-OG 2.97Å; D29-L56 HydrophobicContact CB-CD1 3.67Å; D29-Y62 HydrophobicContact CB-CD2 4.4Å; D29-Y62 HydrophobicContact CB-CE2 4.43Å; D29-R98 IonicContact OD1-CZ 3.01Å; D29-R98 IonicContact OD1-NH1 3.34Å; D29-R98 PolarHBondContact OD1-NH1 3.47Å; D29-R98 IonicContact OD1-NH2 3.23Å; D29-R98 PolarHBondContact OD1-NH2 2.95Å; D29-R98 IonicContact OD2-NH2 3.85Å |
| 30 | N | 84.9 | Confident | 81.6 | Confident | 112 Ų | 112 | 51.3 Ų | 51.3 | 60% | 0.599 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -66.3 | -43.7 | 179 | -63.8 | -4.3 | 0 | 0 | 0 | 111.9 | K28 S33 S34 | K28-N30 VanDerWaalsContact C-N 3.31Å; K28-N30 PolarHBondContact O-N 3.42Å; N30-S33 PolarHBondContact O-OG 3.45Å; N30-S33 VanDerWaalsContact O-OG 3.06Å; N30-S34 WeakPolarHBondContact O-CB 3.09Å; N30-S34 PolarHBondContact O-N 2.7Å |
| 31 | E | 85.3 | Confident | 82.4 | Confident | 43 Ų | 43 | 54.2 Ų | 54.2 | 20% | 0.201 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.2 | -41.8 | 177.5 | -68 | -179.9 | -159.2 | 0 | 0 | 110.5 | S22 F25 K28 S34 V35 | S22-E31 WeakPolarHBondContact CB-OE2 3.28Å; F25-E31 VanDerWaalsContact CA-OE2 3.25Å; F25-E31 WeakPolarHBondContact CA-OE2 3.4Å; F25-E31 HydrophobicContact CB-CB 3.88Å; F25-E31 PolarHBondContact N-OE2 3.2Å; K28-E31 HydrophobicContact CB-CB 4.3Å; K28-E31 HydrophobicContact CB-CG 4.33Å; K28-E31 HydrophobicContact CD-CG 4.3Å; K28-E31 VanDerWaalsContact CD-OE1 3.28Å; K28-E31 WeakPolarHBondContact CD-OE1 3.4Å; K28-E31 IonicContact NZ-OE1 2.9Å; K28-E31 PolarHBondContact NZ-OE1 3.38Å; K28-E31 PolarHBondContact O-N 3.04Å; E31-S34 PolarHBondContact O-N 3.49Å; E31-V35 VanDerWaalsContact O-CG2 3.24Å; E31-V35 WeakPolarHBondContact O-CG2 3.37Å; E31-V35 PolarHBondContact O-N 2.91Å; E31-V35 VanDerWaalsContact O-N 3.13Å |
| 32 | F | 88.8 | Confident | 83.6 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.8 | -50.8 | 176.8 | 176.4 | -112.8 | 0 | 0 | 0 | 112.2 | F25 K28 D29 S34 V35 V36 F65 F92 R98 L101 L102 | F25-F32 VanDerWaalsContact O-CA 3.29Å; F25-F32 WeakPolarHBondContact O-CA 3.34Å; F25-F32 VanDerWaalsContact O-CB 3.24Å; F25-F32 WeakPolarHBondContact O-CB 3.46Å; F25-F32 PolarHBondContact O-N 2.84Å; F25-F32 VanDerWaalsContact O-N 3.16Å; K28-F32 WeakPolarHBondContact O-CB 3.22Å; K28-F32 PolarHBondContact O-N 3.44Å; D29-F32 PolarHBondContact O-N 3.39Å; F32-S34 VanDerWaalsContact C-N 3.3Å; F32-S34 PolarHBondContact O-N 3.04Å; F32-V35 PolarHBondContact O-N 3.08Å; F32-V36 HydrophobicContact CD1-CG2 4.42Å; F32-V36 HydrophobicContact CD2-CG2 4.05Å; F32-V36 HydrophobicContact CE1-CG2 4.04Å; F32-V36 HydrophobicContact CE2-CG2 3.62Å; F32-V36 HydrophobicContact CG-CG2 4.44Å; F32-V36 HydrophobicContact CZ-CG2 3.64Å; F32-V36 WeakPolarHBondContact O-CG2 3.12Å; F32-V36 PolarHBondContact O-N 3.07Å; F32-F65 HydrophobicContact CD1-CE1 4.26Å; F32-F65 HydrophobicContact CD1-CZ 4.42Å; F32-F65 HydrophobicContact CE1-CE1 4.1Å; F32-F65 HydrophobicContact CE1-CZ 4.3Å; F32-F92 HydrophobicContact CE1-CB 4.2Å; F32-R98 HydrophobicContact CD1-CG 4.3Å; F32-R98 HydrophobicContact CD2-CB 3.93Å; F32-R98 HydrophobicContact CD2-CG 3.97Å; F32-R98 HydrophobicContact CE1-CG 3.94Å; F32-R98 HydrophobicContact CE2-CB 3.43Å; F32-R98 VanDerWaalsContact CE2-CB 3.43Å; F32-R98 HydrophobicContact CE2-CG 3.59Å; F32-R98 HydrophobicContact CG-CG 4.3Å; F32-R98 HydrophobicContact CZ-CB 3.84Å; F32-R98 HydrophobicContact CZ-CG 3.55Å; F32-L101 HydrophobicContact CE2-CD2 4.33Å; F32-L101 HydrophobicContact CZ-CD2 3.65Å; F32-L102 HydrophobicContact CD2-CD1 4.32Å; F32-L102 HydrophobicContact CE2-CD1 4.26Å; F32-L102 HydrophobicContact CE2-CG 4.14Å |
| 33 | S | 90.5 | Very high | 84.7 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.5 | -35.7 | -178.6 | 57.6 | 0 | 0 | 0 | 0 | 112.5 | D29 N30 V36 S37 L56 | D29-S33 VanDerWaalsContact O-CB 3.27Å; D29-S33 WeakPolarHBondContact O-CB 3.38Å; D29-S33 PolarHBondContact O-N 2.91Å; D29-S33 PolarHBondContact O-OG 2.97Å; N30-S33 PolarHBondContact O-OG 3.45Å; N30-S33 VanDerWaalsContact O-OG 3.06Å; S33-V36 PolarHBondContact O-N 3Å; S33-S37 WeakPolarHBondContact O-CB 3.42Å; S33-S37 PolarHBondContact O-N 3.27Å; S33-L56 WeakPolarHBondContact OG-CG 3.25Å; S33-L56 PolarHBondContact OG-N 3.15Å; S33-L56 VanDerWaalsContact OG-N 3.12Å |
| 34 | S | 88.4 | Confident | 85.5 | Confident | 50 Ų | 50 | 37.4 Ų | 37.4 | 35% | 0.35 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.6 | -46.5 | 172.8 | 177.4 | 0 | 0 | 0 | 0 | 112.5 | N30 E31 F32 S37 D38 | N30-S34 WeakPolarHBondContact O-CB 3.09Å; N30-S34 PolarHBondContact O-N 2.7Å; E31-S34 PolarHBondContact O-N 3.49Å; F32-S34 VanDerWaalsContact C-N 3.3Å; F32-S34 PolarHBondContact O-N 3.04Å; S34-S37 PolarHBondContact O-N 3.36Å; S34-D38 WeakPolarHBondContact O-CB 3.5Å; S34-D38 PolarHBondContact O-N 3.37Å; S34-D38 VanDerWaalsContact O-N 3.11Å |
| 35 | V | 88.4 | Confident | 86 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.5 | -46.1 | 177.2 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | L13 Y20 F25 E31 F32 D38 L39 L102 | L13-V35 HydrophobicContact CD1-CG1 4.5Å; L13-V35 HydrophobicContact CD2-CG1 3.97Å; Y20-V35 HydrophobicContact CD1-CG2 3.79Å; Y20-V35 HydrophobicContact CD2-CG1 4.35Å; Y20-V35 HydrophobicContact CD2-CG2 4.07Å; Y20-V35 HydrophobicContact CE1-CB 4.42Å; Y20-V35 HydrophobicContact CE1-CG2 3.54Å; Y20-V35 HydrophobicContact CE2-CB 4.2Å; Y20-V35 HydrophobicContact CE2-CG1 3.68Å; Y20-V35 HydrophobicContact CE2-CG2 3.77Å; Y20-V35 HydrophobicContact CG-CG2 4.06Å; F25-V35 HydrophobicContact CB-CG2 4.49Å; F25-V35 HydrophobicContact CD2-CG2 4.19Å; E31-V35 VanDerWaalsContact O-CG2 3.24Å; E31-V35 WeakPolarHBondContact O-CG2 3.37Å; E31-V35 PolarHBondContact O-N 2.91Å; E31-V35 VanDerWaalsContact O-N 3.13Å; F32-V35 PolarHBondContact O-N 3.08Å; V35-D38 WeakPolarHBondContact O-CB 3.38Å; V35-D38 PolarHBondContact O-N 2.91Å; V35-L39 HydrophobicContact CG1-CD1 4.04Å; V35-L39 VanDerWaalsContact O-CG 3.31Å; V35-L39 WeakPolarHBondContact O-CG 3.19Å; V35-L39 PolarHBondContact O-N 3.39Å; V35-L39 VanDerWaalsContact O-N 3.15Å; V35-L102 HydrophobicContact CB-CD2 4.44Å; V35-L102 HydrophobicContact CG1-CD1 4.23Å; V35-L102 HydrophobicContact CG1-CD2 3.66Å |
| 36 | V | 91 | Very high | 85.9 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.7 | -45.3 | -179 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | F32 S33 D38 L39 V40 V53 F65 L69 L101 L102 L105 | F32-V36 HydrophobicContact CD1-CG2 4.42Å; F32-V36 HydrophobicContact CD2-CG2 4.05Å; F32-V36 HydrophobicContact CE1-CG2 4.04Å; F32-V36 HydrophobicContact CE2-CG2 3.62Å; F32-V36 HydrophobicContact CG-CG2 4.44Å; F32-V36 HydrophobicContact CZ-CG2 3.64Å; F32-V36 WeakPolarHBondContact O-CG2 3.12Å; F32-V36 PolarHBondContact O-N 3.07Å; S33-V36 PolarHBondContact O-N 3Å; V36-D38 VanDerWaalsContact C-N 3.3Å; V36-D38 PolarHBondContact O-N 3.39Å; V36-L39 PolarHBondContact O-N 3.4Å; V36-V40 HydrophobicContact CG1-CG2 3.99Å; V36-V40 WeakPolarHBondContact O-CB 3.36Å; V36-V40 VanDerWaalsContact O-CG2 3.24Å; V36-V40 WeakPolarHBondContact O-CG2 3.35Å; V36-V40 PolarHBondContact O-N 3.44Å; V36-V53 HydrophobicContact CG1-CG1 4.46Å; V36-F65 HydrophobicContact CB-CE2 4.4Å; V36-F65 HydrophobicContact CB-CZ 4.06Å; V36-F65 HydrophobicContact CG1-CE2 4.31Å; V36-F65 HydrophobicContact CG1-CZ 4.05Å; V36-L69 HydrophobicContact CG1-CD1 3.63Å; V36-L69 HydrophobicContact CG1-CD2 4.08Å; V36-L69 HydrophobicContact CG1-CG 4.48Å; V36-L101 HydrophobicContact CG1-CD2 4.17Å; V36-L101 HydrophobicContact CG2-CD2 3.78Å; V36-L102 HydrophobicContact CG2-CD2 3.73Å; V36-L105 HydrophobicContact CG1-CD1 4.12Å |
| 37 | S | 90.6 | Very high | 85.5 | Confident | 15 Ų | 15 | 48 Ų | 48 | 11% | 0.105 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.3 | -44.6 | 177.9 | -179.7 | 0 | 0 | 0 | 0 | 111.4 | S33 S34 L39 V40 F41 V53 P55 | S33-S37 WeakPolarHBondContact O-CB 3.42Å; S33-S37 PolarHBondContact O-N 3.27Å; S34-S37 PolarHBondContact O-N 3.36Å; S37-L39 PolarHBondContact O-N 2.94Å; S37-V40 PolarHBondContact O-N 2.83Å; S37-F41 VanDerWaalsContact O-CB 3.22Å; S37-F41 WeakPolarHBondContact O-CB 3.45Å; S37-F41 PolarHBondContact O-N 2.95Å; S37-V53 VanDerWaalsContact CB-O 3.31Å; S37-V53 WeakPolarHBondContact CB-O 3.29Å; S37-V53 PolarHBondContact OG-O 3.43Å; S37-P55 WeakPolarHBondContact OG-CD 3.34Å |
| 38 | D | 88.7 | Confident | 84.8 | Confident | 54 Ų | 54 | 51.2 Ų | 51.2 | 29% | 0.289 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.1 | -46.3 | 176.7 | -92 | 3 | 0 | 0 | 0 | 113.3 | K18 Y20 S34 V35 V36 E42 | K18-D38 IonicContact NZ-OD1 3.68Å; K18-D38 IonicContact NZ-OD2 3.86Å; K18-D38 PolarHBondContact NZ-OD2 3.44Å; Y20-D38 PolarHBondContact OH-OD2 3.08Å; S34-D38 WeakPolarHBondContact O-CB 3.5Å; S34-D38 PolarHBondContact O-N 3.37Å; S34-D38 VanDerWaalsContact O-N 3.11Å; V35-D38 WeakPolarHBondContact O-CB 3.38Å; V35-D38 PolarHBondContact O-N 2.91Å; V36-D38 VanDerWaalsContact C-N 3.3Å; V36-D38 PolarHBondContact O-N 3.39Å; D38-E42 PolarHBondContact O-N 2.72Å; D38-E42 VanDerWaalsContact O-N 3.14Å |
| 39 | L | 89.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.1 | -41.7 | -178.7 | -63 | 172.6 | 0 | 0 | 0 | 111.4 | L13 V16 K18 V35 V36 S37 F41 E42 L43 L102 L105 I109 | L13-L39 HydrophobicContact CD2-CD1 4.05Å; L13-L39 HydrophobicContact CD2-CD2 4.42Å; V16-L39 HydrophobicContact CG1-CD2 3.98Å; K18-L39 HydrophobicContact CG-CD2 4.41Å; V35-L39 HydrophobicContact CG1-CD1 4.04Å; V35-L39 VanDerWaalsContact O-CG 3.31Å; V35-L39 WeakPolarHBondContact O-CG 3.19Å; V35-L39 PolarHBondContact O-N 3.39Å; V35-L39 VanDerWaalsContact O-N 3.15Å; V36-L39 PolarHBondContact O-N 3.4Å; S37-L39 PolarHBondContact O-N 2.94Å; L39-F41 VanDerWaalsContact C-N 3.32Å; L39-F41 PolarHBondContact O-N 3.29Å; L39-E42 PolarHBondContact O-N 3.14Å; L39-L43 PolarHBondContact O-N 2.93Å; L39-L102 HydrophobicContact CD1-CD2 3.64Å; L39-L105 HydrophobicContact CB-CB 4.14Å; L39-L105 HydrophobicContact CB-CD1 4.21Å; L39-L105 HydrophobicContact CD1-CB 4.01Å; L39-L105 HydrophobicContact CD1-CD1 4.33Å; L39-I109 HydrophobicContact CB-CD1 3.88Å; L39-I109 HydrophobicContact CD2-CD1 3.44Å; L39-I109 VanDerWaalsContact CD2-CD1 3.44Å; L39-I109 HydrophobicContact CG-CD1 4.22Å |
| 40 | V | 90.9 | Very high | 83.3 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.1 | -39.1 | 176.5 | 168.8 | 0 | 0 | 0 | 0 | 110.9 | V36 S37 E42 L43 G44 V53 L69 F72 L105 | V36-V40 HydrophobicContact CG1-CG2 3.99Å; V36-V40 WeakPolarHBondContact O-CB 3.36Å; V36-V40 VanDerWaalsContact O-CG2 3.24Å; V36-V40 WeakPolarHBondContact O-CG2 3.35Å; V36-V40 PolarHBondContact O-N 3.44Å; S37-V40 PolarHBondContact O-N 2.83Å; V40-E42 VanDerWaalsContact C-N 3.34Å; V40-L43 PolarHBondContact O-N 3.28Å; V40-G44 PolarHBondContact O-N 3.49Å; V40-V53 HydrophobicContact CB-CB 4.41Å; V40-V53 HydrophobicContact CG1-CB 3.98Å; V40-V53 HydrophobicContact CG1-CG2 3.8Å; V40-L69 HydrophobicContact CG2-CD1 4.21Å; V40-F72 HydrophobicContact CB-CD1 4.42Å; V40-F72 HydrophobicContact CB-CE1 4.3Å; V40-F72 HydrophobicContact CB-CZ 4.43Å; V40-F72 HydrophobicContact CG1-CB 4.41Å; V40-F72 HydrophobicContact CG1-CD1 3.83Å; V40-F72 HydrophobicContact CG1-CD2 3.58Å; V40-F72 HydrophobicContact CG1-CE1 3.96Å; V40-F72 HydrophobicContact CG1-CE2 3.71Å; V40-F72 HydrophobicContact CG1-CG 3.64Å; V40-F72 HydrophobicContact CG1-CZ 3.89Å; V40-F72 HydrophobicContact CG2-CD1 3.79Å; V40-F72 HydrophobicContact CG2-CE1 3.78Å; V40-F72 HydrophobicContact CG2-CG 4.4Å; V40-F72 HydrophobicContact CG2-CZ 4.39Å; V40-L105 HydrophobicContact CG2-CD1 4.15Å; V40-L105 HydrophobicContact CG2-CD2 4.24Å |
| 41 | F | 88 | Confident | 82.7 | Confident | 105 Ų | 105 | 44.1 Ų | 44.1 | 46% | 0.461 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.4 | -38.2 | 175 | -176.7 | -113.3 | 0 | 0 | 0 | 112.4 | S37 L39 K45 | S37-F41 VanDerWaalsContact O-CB 3.22Å; S37-F41 WeakPolarHBondContact O-CB 3.45Å; S37-F41 PolarHBondContact O-N 2.95Å; L39-F41 VanDerWaalsContact C-N 3.32Å; L39-F41 PolarHBondContact O-N 3.29Å; F41-K45 HydrophobicContact CE1-CD 4.38Å; F41-K45 WeakPolarHBondContact O-CG 3.44Å; F41-K45 PolarHBondContact O-N 2.83Å |
| 42 | E | 85.8 | Confident | 82.3 | Confident | 52 Ų | 52 | 46.7 Ų | 46.7 | 24% | 0.243 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.5 | -44.2 | 174.2 | -169.2 | 178.5 | 158.2 | 0 | 0 | 112 | D38 L39 V40 K45 I109 R113 | D38-E42 PolarHBondContact O-N 2.72Å; D38-E42 VanDerWaalsContact O-N 3.14Å; L39-E42 PolarHBondContact O-N 3.14Å; V40-E42 VanDerWaalsContact C-N 3.34Å; E42-K45 PolarHBondContact O-N 2.94Å; E42-I109 HydrophobicContact CB-CD1 4.25Å; E42-I109 WeakPolarHBondContact OE1-CG2 3.47Å; E42-R113 IonicContact OE1-CZ 2.75Å; E42-R113 VanDerWaalsContact OE1-CZ 3.23Å; E42-R113 IonicContact OE1-NE 3.73Å; E42-R113 PolarHBondContact OE1-NE 3.44Å; E42-R113 IonicContact OE1-NH2 2.78Å; E42-R113 PolarHBondContact OE1-NH2 3.16Å; E42-R113 IonicContact OE2-NH2 2.74Å; E42-R113 PolarHBondContact OE2-NH2 2.89Å |
| 43 | L | 85.6 | Confident | 82.2 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.7 | -37.1 | 176.9 | -73 | 174.9 | 0 | 0 | 0 | 113.1 | L39 V40 K45 S46 H47 F72 Y76 L105 E108 I109 T112 | L39-L43 PolarHBondContact O-N 2.93Å; V40-L43 PolarHBondContact O-N 3.28Å; L43-K45 VanDerWaalsContact C-N 3.26Å; L43-K45 PolarHBondContact O-N 3.43Å; L43-S46 PolarHBondContact O-N 3.47Å; L43-S46 PolarHBondContact O-OG 3.1Å; L43-H47 PolarHBondContact O-N 3.27Å; L43-F72 HydrophobicContact CB-CZ 3.95Å; L43-F72 HydrophobicContact CD1-CE1 4.46Å; L43-F72 HydrophobicContact CD1-CZ 4.27Å; L43-Y76 HydrophobicContact CB-CE2 4.14Å; L43-Y76 HydrophobicContact CD1-CE2 4.37Å; L43-Y76 HydrophobicContact CD2-CE2 4.28Å; L43-L105 HydrophobicContact CD1-CD2 3.69Å; L43-E108 HydrophobicContact CD1-CB 3.97Å; L43-E108 HydrophobicContact CD2-CB 3.92Å; L43-I109 HydrophobicContact CD1-CG1 4.22Å; L43-I109 HydrophobicContact CD2-CB 4.34Å; L43-I109 HydrophobicContact CD2-CG1 3.49Å; L43-I109 VanDerWaalsContact CD2-CG1 3.49Å; L43-I109 HydrophobicContact CG-CD1 4.3Å; L43-I109 HydrophobicContact CG-CG1 3.58Å; L43-T112 HydrophobicContact CD2-CG2 4.27Å |
| 44 | G | 83.1 | Confident | 82.1 | Confident | 8 Ų | 8 | 52.8 Ų | 52.8 | 8% | 0.082 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.7 | -37.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V40 S46 D48 V49 | V40-G44 PolarHBondContact O-N 3.49Å; G44-S46 VanDerWaalsContact C-N 3.29Å; G44-S46 PolarHBondContact O-N 2.88Å; G44-D48 PolarHBondContact O-N 3.07Å; G44-D48 VanDerWaalsContact O-N 3.15Å; G44-V49 WeakPolarHBondContact CA-O 3.17Å |
| 45 | K | 80.7 | Confident | 82.1 | Confident | 150 Ų | 150 | 52.8 Ų | 52.8 | 65% | 0.652 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -65.2 | -28.9 | 176.7 | -73.5 | 178.1 | 178.3 | 179.7 | 0 | 113.9 | F41 E42 L43 | F41-K45 HydrophobicContact CE1-CD 4.38Å; F41-K45 WeakPolarHBondContact O-CG 3.44Å; F41-K45 PolarHBondContact O-N 2.83Å; E42-K45 PolarHBondContact O-N 2.94Å; L43-K45 VanDerWaalsContact C-N 3.26Å; L43-K45 PolarHBondContact O-N 3.43Å |
| 46 | S | 74.2 | Confident | 82.1 | Confident | 55 Ų | 55 | 53.9 Ų | 53.9 | 39% | 0.385 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -88.2 | -26.3 | -177.2 | 62.2 | 0 | 0 | 0 | 0 | 113.3 | L43 G44 | L43-S46 PolarHBondContact O-N 3.47Å; L43-S46 PolarHBondContact O-OG 3.1Å; G44-S46 VanDerWaalsContact C-N 3.29Å; G44-S46 PolarHBondContact O-N 2.88Å |
| 47 | H | 69.3 | Low | 81.8 | Confident | 86 Ų | 86 | 58 Ų | 58 | 40% | 0.398 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -117.2 | 5.9 | -172.3 | -84.7 | -59.5 | 0 | 0 | 0 | 116 | L43 V49 Y76 T112 | L43-H47 PolarHBondContact O-N 3.27Å; H47-V49 HydrophobicContact CB-CG2 4.02Å; H47-V49 PolarHBondContact O-N 2.65Å; H47-V49 VanDerWaalsContact O-N 3.13Å; H47-Y76 AromaticContact CD2-CE2 3.75Å; H47-T112 VanDerWaalsContact CD2-CG2 3.49Å; H47-T112 WeakPolarHBondContact CD2-CG2 3.33Å; H47-T112 WeakPolarHBondContact NE2-CG2 3.41Å |
| 48 | D | 67.3 | Low | 81.2 | Confident | 170 Ų | 170 | 65.8 Ų | 65.8 | 91% | 0.909 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 26.5 | -178.6 | -132.2 | 9.7 | 0 | 0 | 0 | 112.6 | G44 | G44-D48 PolarHBondContact O-N 3.07Å; G44-D48 VanDerWaalsContact O-N 3.15Å |
| 49 | V | 71.2 | Confident | 80.6 | Confident | 34 Ų | 34 | 72 Ų | 72 | 21% | 0.206 | 38% | 0.375 | C | S | . | . | trans | -94.7 | 136.9 | 176.7 | 178.1 | 0 | 0 | 0 | 0 | 108.6 | G44 H47 S51 F72 | G44-V49 WeakPolarHBondContact CA-O 3.17Å; H47-V49 HydrophobicContact CB-CG2 4.02Å; H47-V49 PolarHBondContact O-N 2.65Å; H47-V49 VanDerWaalsContact O-N 3.13Å; V49-S51 PolarHBondContact O-N 2.92Å; V49-F72 HydrophobicContact CG1-CD2 4.05Å; V49-F72 HydrophobicContact CG1-CE2 4.03Å | ||
| 50 | S | 67.8 | Low | 80.1 | Confident | 76 Ų | 76 | 74.5 Ų | 74.5 | 53% | 0.531 | 39% | 0.385 | S | S | . | . | trans | -60.3 | 109.5 | 179.2 | 59.7 | 0 | 0 | 0 | 0 | 111.7 | N52 | S50-N52 VanDerWaalsContact C-N 3.26Å; S50-N52 PolarHBondContact O-N 2.88Å; S50-N52 VanDerWaalsContact O-N 3.15Å | ||
| 51 | S | 71.1 | Confident | 79.8 | Confident | 27 Ų | 27 | 80.8 Ų | 80.8 | 19% | 0.189 | 41% | 0.414 | C | S | . | . | trans | -86.9 | 53 | 177.3 | 59.8 | 0 | 0 | 0 | 0 | 112.3 | V49 V53 | V49-S51 PolarHBondContact O-N 2.92Å; S51-V53 PolarHBondContact O-N 3.18Å | ||
| 52 | N | 77.5 | Confident | 79.7 | Confident | 96 Ų | 96 | 78.1 Ų | 78.1 | 51% | 0.513 | 40% | 0.402 | S | S | . | . | trans | -84.1 | 50.6 | -176.5 | -66.8 | -12.6 | 0 | 0 | 0 | 111.9 | S50 | S50-N52 VanDerWaalsContact C-N 3.26Å; S50-N52 PolarHBondContact O-N 2.88Å; S50-N52 VanDerWaalsContact O-N 3.15Å | ||
| 53 | V | 86.4 | Confident | 79.7 | Confident | 3 Ų | 3 | 78.3 Ų | 78.3 | 2% | 0.018 | 41% | 0.412 | C | S | . | . | trans | -120.4 | 108.8 | 178.3 | -175.3 | 0 | 0 | 0 | 0 | 108.2 | V36 S37 V40 S51 F65 L69 F72 | V36-V53 HydrophobicContact CG1-CG1 4.46Å; S37-V53 VanDerWaalsContact CB-O 3.31Å; S37-V53 WeakPolarHBondContact CB-O 3.29Å; S37-V53 PolarHBondContact OG-O 3.43Å; V40-V53 HydrophobicContact CB-CB 4.41Å; V40-V53 HydrophobicContact CG1-CB 3.98Å; V40-V53 HydrophobicContact CG1-CG2 3.8Å; S51-V53 PolarHBondContact O-N 3.18Å; V53-F65 HydrophobicContact CG1-CD2 3.81Å; V53-F65 HydrophobicContact CG1-CE2 3.55Å; V53-L69 HydrophobicContact CG1-CB 4.26Å; V53-L69 HydrophobicContact CG1-CD1 4.49Å; V53-L69 HydrophobicContact CG2-CB 4.44Å; V53-F72 HydrophobicContact CG2-CB 4.01Å | ||
| 54 | Y | 87.7 | Confident | 79.7 | Confident | 127 Ų | 127 | 82.1 Ų | 82.1 | 50% | 0.498 | 43% | 0.432 | S | S | . | . | trans | -105.5 | 150.3 | -175.5 | -58.7 | -74.8 | 0 | 0 | 0 | 111.5 | Y60 F65 | Y54-Y60 WeakPolarHBondContact O-CE1 3.48Å; Y54-F65 VanDerWaalsContact O-CD2 3.24Å; Y54-F65 WeakPolarHBondContact O-CD2 3.46Å | ||
| 55 | P | 88.5 | Confident | 80.1 | Confident | 50 Ų | 50 | 81.8 Ų | 81.8 | 33% | 0.325 | 43% | 0.429 | S | S | . | . | trans | -61.9 | 153.1 | 173.7 | 28 | -34.8 | 0 | 0 | 0 | 111.2 | S37 | S37-P55 WeakPolarHBondContact OG-CD 3.34Š| ||
| 56 | L | 88.3 | Confident | 80.5 | Confident | 24 Ų | 24 | 74.7 Ų | 74.7 | 13% | 0.126 | 40% | 0.398 | C | S | . | . | trans | -65.1 | 136.8 | 175.2 | -63.8 | 170 | 0 | 0 | 0 | 111.1 | D29 S33 Y60 Y62 F65 | D29-L56 HydrophobicContact CB-CD1 3.67Å; S33-L56 WeakPolarHBondContact OG-CG 3.25Å; S33-L56 PolarHBondContact OG-N 3.15Å; S33-L56 VanDerWaalsContact OG-N 3.12Å; L56-Y60 HydrophobicContact CD2-CD1 4.47Å; L56-Y60 VanDerWaalsContact CD2-O 3.29Å; L56-Y60 WeakPolarHBondContact CD2-O 3.4Å; L56-Y62 HydrophobicContact CD1-CD2 3.98Å; L56-F65 HydrophobicContact CD2-CB 3.62Å; L56-F65 HydrophobicContact CD2-CG 4.19Å; L56-F65 HydrophobicContact CG-CB 4.45Å | ||
| 57 | T | 85.6 | Confident | 81.1 | Confident | 85 Ų | 85 | 73.9 Ų | 73.9 | 52% | 0.521 | 39% | 0.393 | S | S | . | . | trans | -135.7 | 173 | 172.9 | 62.4 | 0 | 0 | 0 | 0 | 108.9 | E59 Y60 | T57-E59 PolarHBondContact O-N 2.88Å; T57-E59 VanDerWaalsContact O-N 3.13Å; T57-Y60 PolarHBondContact N-O 3.02Å; T57-Y60 CarbonylContact O-C 3.55Å; T57-Y60 PolarHBondContact O-N 3.3Å; T57-Y60 VanDerWaalsContact OG1-CB 3.22Å; T57-Y60 WeakPolarHBondContact OG1-CB 3.27Å; T57-Y60 PolarHBondContact OG1-N 3.32Å; T57-Y60 VanDerWaalsContact OG1-N 3.17Å | ||
| 58 | D | 77.2 | Confident | 82 | Confident | 180 Ų | 180 | 70.4 Ų | 70.4 | 96% | 0.963 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -58.9 | -26.2 | 178.4 | -62 | -35.4 | 0 | 0 | 0 | 112.9 | ||
| 59 | E | 77.2 | Confident | 83.1 | Confident | 184 Ų | 184 | 62.3 Ų | 62.3 | 86% | 0.86 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -96 | -19 | 177.1 | -61.5 | -179.6 | 175.6 | 0 | 0 | 113.3 | T57 | T57-E59 PolarHBondContact O-N 2.88Å; T57-E59 VanDerWaalsContact O-N 3.13Å |
| 60 | Y | 78.9 | Confident | 83.9 | Confident | 52 Ų | 52 | 62.1 Ų | 62.1 | 20% | 0.204 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -108.5 | 91.7 | -174.8 | -164.8 | -106.6 | 0 | 0 | 0 | 110.9 | Y54 L56 T57 N64 F65 | Y54-Y60 WeakPolarHBondContact O-CE1 3.48Å; L56-Y60 HydrophobicContact CD2-CD1 4.47Å; L56-Y60 VanDerWaalsContact CD2-O 3.29Å; L56-Y60 WeakPolarHBondContact CD2-O 3.4Å; T57-Y60 PolarHBondContact N-O 3.02Å; T57-Y60 CarbonylContact O-C 3.55Å; T57-Y60 PolarHBondContact O-N 3.3Å; T57-Y60 VanDerWaalsContact OG1-CB 3.22Å; T57-Y60 WeakPolarHBondContact OG1-CB 3.27Å; T57-Y60 PolarHBondContact OG1-N 3.32Å; T57-Y60 VanDerWaalsContact OG1-N 3.17Å; Y60-N64 HydrophobicContact CD2-CB 4.11Å; Y60-N64 HydrophobicContact CE1-CB 4.32Å; Y60-N64 HydrophobicContact CE2-CB 3.59Å; Y60-N64 PolarHBondContact OH-O 3.29Å; Y60-F65 HydrophobicContact CD1-CB 4.43Å; Y60-F65 HydrophobicContact CE1-CB 3.83Å |
| 61 | E | 84.9 | Confident | 84.9 | Confident | 132 Ų | 132 | 65.3 Ų | 65.3 | 62% | 0.617 | 34% | 0.338 | S | S | * | . | trans | -67.7 | 157.4 | -175.6 | -62.6 | -174.9 | 172.4 | 0 | 0 | 114.2 | A63 N64 F65 | E61-A63 PolarHBondContact O-N 3.42Å; E61-N64 WeakPolarHBondContact O-CB 3.28Å; E61-N64 PolarHBondContact O-N 3.48Å; E61-F65 PolarHBondContact O-N 3.37Å | ||
| 62 | Y | 85.5 | Confident | 85.8 | Confident | 50 Ų | 50 | 64.1 Ų | 64.1 | 20% | 0.196 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -54.8 | -35.8 | 177.8 | -171.6 | -92.9 | 0 | 0 | 0 | 113.7 | D29 L56 N64 F65 A66 F92 | D29-Y62 HydrophobicContact CB-CD2 4.4Å; D29-Y62 HydrophobicContact CB-CE2 4.43Å; L56-Y62 HydrophobicContact CD1-CD2 3.98Å; Y62-N64 VanDerWaalsContact C-N 3.32Å; Y62-N64 PolarHBondContact O-N 3.45Å; Y62-F65 PolarHBondContact O-N 3.49Å; Y62-A66 HydrophobicContact CE1-CB 4.41Å; Y62-A66 WeakPolarHBondContact O-CB 3.33Å; Y62-A66 PolarHBondContact O-N 2.97Å; Y62-F92 WeakPolarHBondContact OH-CB 3.32Å |
| 63 | A | 85.9 | Confident | 86.4 | Confident | 55 Ų | 55 | 59.6 Ų | 59.6 | 46% | 0.455 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.3 | -39.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E61 S67 | E61-A63 PolarHBondContact O-N 3.42Å; A63-S67 WeakPolarHBondContact O-CB 3.28Å; A63-S67 PolarHBondContact O-N 3.27Å |
| 64 | N | 86.5 | Confident | 86.4 | Confident | 81 Ų | 81 | 64.4 Ų | 64.4 | 43% | 0.433 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -70.6 | -43.9 | 178.6 | -65.9 | -36 | 0 | 0 | 0 | 111.1 | Y60 E61 Y62 S67 G68 | Y60-N64 HydrophobicContact CD2-CB 4.11Å; Y60-N64 HydrophobicContact CE1-CB 4.32Å; Y60-N64 HydrophobicContact CE2-CB 3.59Å; Y60-N64 PolarHBondContact OH-O 3.29Å; E61-N64 WeakPolarHBondContact O-CB 3.28Å; E61-N64 PolarHBondContact O-N 3.48Å; Y62-N64 VanDerWaalsContact C-N 3.32Å; Y62-N64 PolarHBondContact O-N 3.45Å; N64-S67 PolarHBondContact O-N 2.8Å; N64-G68 PolarHBondContact O-N 3.43Å |
| 65 | F | 89.9 | Confident | 86.3 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.3 | -50.5 | 173.5 | 170.1 | -104.5 | 0 | 0 | 0 | 111.8 | F32 V36 V53 Y54 L56 Y60 E61 Y62 S67 G68 L69 | F32-F65 HydrophobicContact CD1-CE1 4.26Å; F32-F65 HydrophobicContact CD1-CZ 4.42Å; F32-F65 HydrophobicContact CE1-CE1 4.1Å; F32-F65 HydrophobicContact CE1-CZ 4.3Å; V36-F65 HydrophobicContact CB-CE2 4.4Å; V36-F65 HydrophobicContact CB-CZ 4.06Å; V36-F65 HydrophobicContact CG1-CE2 4.31Å; V36-F65 HydrophobicContact CG1-CZ 4.05Å; V53-F65 HydrophobicContact CG1-CD2 3.81Å; V53-F65 HydrophobicContact CG1-CE2 3.55Å; Y54-F65 VanDerWaalsContact O-CD2 3.24Å; Y54-F65 WeakPolarHBondContact O-CD2 3.46Å; L56-F65 HydrophobicContact CD2-CB 3.62Å; L56-F65 HydrophobicContact CD2-CG 4.19Å; L56-F65 HydrophobicContact CG-CB 4.45Å; Y60-F65 HydrophobicContact CD1-CB 4.43Å; Y60-F65 HydrophobicContact CE1-CB 3.83Å; E61-F65 PolarHBondContact O-N 3.37Å; Y62-F65 PolarHBondContact O-N 3.49Å; F65-S67 PolarHBondContact O-N 2.89Å; F65-G68 PolarHBondContact O-N 3.04Å; F65-L69 HydrophobicContact CE1-CD2 4.16Å; F65-L69 HydrophobicContact CZ-CD2 4.05Å; F65-L69 WeakPolarHBondContact O-CB 3.48Å; F65-L69 PolarHBondContact O-N 3.04Å |
| 66 | A | 89 | Confident | 86.3 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.008 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.1 | -40.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y62 L69 E70 I88 F92 | Y62-A66 HydrophobicContact CE1-CB 4.41Å; Y62-A66 WeakPolarHBondContact O-CB 3.33Å; Y62-A66 PolarHBondContact O-N 2.97Å; A66-L69 PolarHBondContact O-N 3.43Å; A66-E70 WeakPolarHBondContact O-CB 3.25Å; A66-E70 PolarHBondContact O-N 2.86Å; A66-I88 HydrophobicContact CB-CG2 3.71Å; A66-F92 HydrophobicContact CB-CD2 4.17Å; A66-F92 HydrophobicContact CB-CE2 4.25Å |
| 67 | S | 86.9 | Confident | 86.1 | Confident | 39 Ų | 39 | 62 Ų | 62 | 27% | 0.273 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.8 | -41 | 175.9 | -173.6 | 0 | 0 | 0 | 0 | 112.6 | A63 N64 F65 L69 E70 K71 | A63-S67 WeakPolarHBondContact O-CB 3.28Å; A63-S67 PolarHBondContact O-N 3.27Å; N64-S67 PolarHBondContact O-N 2.8Å; F65-S67 PolarHBondContact O-N 2.89Å; S67-L69 VanDerWaalsContact C-N 3.34Å; S67-E70 PolarHBondContact O-N 3.21Å; S67-K71 WeakPolarHBondContact O-CG 3.25Å; S67-K71 PolarHBondContact O-N 3.46Å; S67-K71 VanDerWaalsContact O-N 3.13Å |
| 68 | G | 88.3 | Confident | 86.3 | Confident | 13 Ų | 13 | 58.5 Ų | 58.5 | 13% | 0.134 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61 | -44.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N64 F65 K71 F72 | N64-G68 PolarHBondContact O-N 3.43Å; F65-G68 PolarHBondContact O-N 3.04Å; G68-K71 PolarHBondContact O-N 3.47Å; G68-F72 PolarHBondContact O-N 3.46Å |
| 69 | L | 90.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.4 | -42.1 | 178.8 | -179.7 | 59.3 | 0 | 0 | 0 | 112.4 | V36 V40 V53 F65 A66 S67 K71 F72 L73 F92 L101 | V36-L69 HydrophobicContact CG1-CD1 3.63Å; V36-L69 HydrophobicContact CG1-CD2 4.08Å; V36-L69 HydrophobicContact CG1-CG 4.48Å; V40-L69 HydrophobicContact CG2-CD1 4.21Å; V53-L69 HydrophobicContact CG1-CB 4.26Å; V53-L69 HydrophobicContact CG1-CD1 4.49Å; V53-L69 HydrophobicContact CG2-CB 4.44Å; F65-L69 HydrophobicContact CE1-CD2 4.16Å; F65-L69 HydrophobicContact CZ-CD2 4.05Å; F65-L69 WeakPolarHBondContact O-CB 3.48Å; F65-L69 PolarHBondContact O-N 3.04Å; A66-L69 PolarHBondContact O-N 3.43Å; S67-L69 VanDerWaalsContact C-N 3.34Å; L69-K71 PolarHBondContact O-N 3.01Å; L69-F72 PolarHBondContact O-N 3.45Å; L69-L73 HydrophobicContact CD1-CD1 4.21Å; L69-L73 HydrophobicContact CD1-CG 4.13Å; L69-L73 HydrophobicContact CG-CD1 4.04Å; L69-L73 HydrophobicContact CG-CG 4.39Å; L69-L73 VanDerWaalsContact O-CG 3.29Å; L69-L73 WeakPolarHBondContact O-CG 3.47Å; L69-L73 PolarHBondContact O-N 3.48Å; L69-F92 HydrophobicContact CB-CE2 4.48Å; L69-F92 HydrophobicContact CD2-CD1 4.08Å; L69-F92 HydrophobicContact CD2-CD2 4.12Å; L69-F92 HydrophobicContact CD2-CE1 3.68Å; L69-F92 HydrophobicContact CD2-CE2 3.72Å; L69-F92 HydrophobicContact CD2-CG 4.29Å; L69-F92 HydrophobicContact CD2-CZ 3.49Å; L69-F92 VanDerWaalsContact CD2-CZ 3.49Å; L69-F92 HydrophobicContact CG-CE1 4.34Å; L69-F92 HydrophobicContact CG-CE2 4.24Å; L69-F92 HydrophobicContact CG-CZ 3.85Å; L69-L101 HydrophobicContact CD1-CD2 4.4Å; L69-L101 HydrophobicContact CD2-CD2 3.71Å |
| 70 | E | 88.7 | Confident | 87.4 | Confident | 29 Ų | 29 | 50.3 Ų | 50.3 | 14% | 0.136 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.1 | -47.5 | 175 | 175.7 | 178.2 | -146.2 | 0 | 0 | 111.6 | A66 S67 F72 L73 I74 I88 R91 | A66-E70 WeakPolarHBondContact O-CB 3.25Å; A66-E70 PolarHBondContact O-N 2.86Å; S67-E70 PolarHBondContact O-N 3.21Å; E70-F72 VanDerWaalsContact C-N 3.28Å; E70-F72 PolarHBondContact O-N 2.95Å; E70-L73 PolarHBondContact O-N 3.49Å; E70-L73 VanDerWaalsContact O-N 3.17Å; E70-I74 HydrophobicContact CG-CD1 3.7Å; E70-I74 HydrophobicContact CG-CG1 4.37Å; E70-I74 WeakPolarHBondContact O-CG1 3.33Å; E70-I74 PolarHBondContact O-N 3.12Å; E70-I88 WeakPolarHBondContact OE2-CD1 3.31Å; E70-I88 VanDerWaalsContact OE2-CG1 3.31Å; E70-I88 WeakPolarHBondContact OE2-CG1 3.29Å; E70-R91 VanDerWaalsContact CD-NH1 3.25Å; E70-R91 IonicContact OE1-CZ 2.64Å; E70-R91 IonicContact OE1-NH1 2.8Å; E70-R91 PolarHBondContact OE1-NH1 3.33Å; E70-R91 IonicContact OE1-NH2 3.13Å; E70-R91 PolarHBondContact OE1-NH2 3.03Å |
| 71 | K | 88.2 | Confident | 87.8 | Confident | 144 Ų | 144 | 51 Ų | 51 | 63% | 0.626 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -59.1 | -41.3 | 177.5 | -70.4 | 170.9 | -174.9 | 174.1 | 0 | 111.6 | S67 G68 L69 S75 | S67-K71 WeakPolarHBondContact O-CG 3.25Å; S67-K71 PolarHBondContact O-N 3.46Å; S67-K71 VanDerWaalsContact O-N 3.13Å; G68-K71 PolarHBondContact O-N 3.47Å; L69-K71 PolarHBondContact O-N 3.01Å; K71-S75 WeakPolarHBondContact O-CB 3.34Å; K71-S75 PolarHBondContact O-N 2.91Å; K71-S75 PolarHBondContact O-OG 2.93Å |
| 72 | F | 90.2 | Very high | 87.8 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.009 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.1 | -49 | 174.1 | 177.8 | -96.3 | 0 | 0 | 0 | 111.7 | V40 L43 V49 V53 G68 L69 E70 I74 S75 Y76 L105 | V40-F72 HydrophobicContact CB-CD1 4.42Å; V40-F72 HydrophobicContact CB-CE1 4.3Å; V40-F72 HydrophobicContact CB-CZ 4.43Å; V40-F72 HydrophobicContact CG1-CB 4.41Å; V40-F72 HydrophobicContact CG1-CD1 3.83Å; V40-F72 HydrophobicContact CG1-CD2 3.58Å; V40-F72 HydrophobicContact CG1-CE1 3.96Å; V40-F72 HydrophobicContact CG1-CE2 3.71Å; V40-F72 HydrophobicContact CG1-CG 3.64Å; V40-F72 HydrophobicContact CG1-CZ 3.89Å; V40-F72 HydrophobicContact CG2-CD1 3.79Å; V40-F72 HydrophobicContact CG2-CE1 3.78Å; V40-F72 HydrophobicContact CG2-CG 4.4Å; V40-F72 HydrophobicContact CG2-CZ 4.39Å; L43-F72 HydrophobicContact CB-CZ 3.95Å; L43-F72 HydrophobicContact CD1-CE1 4.46Å; L43-F72 HydrophobicContact CD1-CZ 4.27Å; V49-F72 HydrophobicContact CG1-CD2 4.05Å; V49-F72 HydrophobicContact CG1-CE2 4.03Å; V53-F72 HydrophobicContact CG2-CB 4.01Å; G68-F72 PolarHBondContact O-N 3.46Å; L69-F72 PolarHBondContact O-N 3.45Å; E70-F72 VanDerWaalsContact C-N 3.28Å; E70-F72 PolarHBondContact O-N 2.95Å; F72-I74 VanDerWaalsContact C-N 3.33Å; F72-I74 PolarHBondContact O-N 2.98Å; F72-S75 WeakPolarHBondContact CA-OG 3.18Å; F72-S75 PolarHBondContact O-N 3.43Å; F72-S75 PolarHBondContact O-OG 3.07Å; F72-Y76 HydrophobicContact CE1-CD2 4.3Å; F72-Y76 HydrophobicContact CE1-CG 4.25Å; F72-Y76 HydrophobicContact CE2-CD2 4.17Å; F72-Y76 AromaticContact CZ-CD2 3.64Å; F72-Y76 HydrophobicContact CZ-CD2 3.64Å; F72-Y76 HydrophobicContact CZ-CE2 4.36Å; F72-Y76 HydrophobicContact CZ-CG 4.04Å; F72-Y76 WeakPolarHBondContact O-CB 3.21Å; F72-Y76 PolarHBondContact O-N 3.02Å; F72-L105 HydrophobicContact CE1-CD2 4.1Å |
| 73 | L | 89.9 | Confident | 87.9 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.2 | -36.7 | -177.5 | -69.6 | 174.3 | 0 | 0 | 0 | 112.9 | L69 E70 G77 C78 L83 T84 F92 L101 Y104 | L69-L73 HydrophobicContact CD1-CD1 4.21Å; L69-L73 HydrophobicContact CD1-CG 4.13Å; L69-L73 HydrophobicContact CG-CD1 4.04Å; L69-L73 HydrophobicContact CG-CG 4.39Å; L69-L73 VanDerWaalsContact O-CG 3.29Å; L69-L73 WeakPolarHBondContact O-CG 3.47Å; L69-L73 PolarHBondContact O-N 3.48Å; E70-L73 PolarHBondContact O-N 3.49Å; E70-L73 VanDerWaalsContact O-N 3.17Å; L73-G77 PolarHBondContact O-N 3.37Å; L73-C78 HydrophobicContact CB-CB 3.92Å; L73-C78 HydrophobicContact CD2-CB 3.99Å; L73-C78 HydrophobicContact CG-CB 4.48Å; L73-C78 WeakPolarHBondContact O-CB 3.37Å; L73-C78 PolarHBondContact O-N 2.99Å; L73-L83 HydrophobicContact CD1-CB 4.21Å; L73-T84 HydrophobicContact CB-CG2 4.35Å; L73-F92 HydrophobicContact CD1-CE1 4.18Å; L73-F92 HydrophobicContact CD1-CZ 4.1Å; L73-L101 HydrophobicContact CD1-CD1 3.8Å; L73-L101 HydrophobicContact CD2-CD1 3.69Å; L73-L101 HydrophobicContact CG-CD1 4.32Å; L73-Y104 HydrophobicContact CD2-CD1 4.34Å; L73-Y104 HydrophobicContact CD2-CE1 4.08Å |
| 74 | I | 87.1 | Confident | 87.9 | Confident | 104 Ų | 104 | 43.1 Ų | 43.1 | 53% | 0.533 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -68.5 | -47.9 | 175.7 | -66.8 | 171 | 0 | 0 | 0 | 110.4 | E70 F72 Y76 G77 T84 | E70-I74 HydrophobicContact CG-CD1 3.7Å; E70-I74 HydrophobicContact CG-CG1 4.37Å; E70-I74 WeakPolarHBondContact O-CG1 3.33Å; E70-I74 PolarHBondContact O-N 3.12Å; F72-I74 VanDerWaalsContact C-N 3.33Å; F72-I74 PolarHBondContact O-N 2.98Å; I74-Y76 VanDerWaalsContact C-N 3.31Å; I74-Y76 PolarHBondContact O-N 3.31Å; I74-G77 PolarHBondContact O-N 2.84Å; I74-T84 HydrophobicContact CG1-CG2 4.45Å |
| 75 | S | 86 | Confident | 87.8 | Confident | 68 Ų | 68 | 45.6 Ų | 45.6 | 48% | 0.476 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.5 | -34.8 | 179.8 | 55.7 | 0 | 0 | 0 | 0 | 113 | K71 F72 G77 | K71-S75 WeakPolarHBondContact O-CB 3.34Å; K71-S75 PolarHBondContact O-N 2.91Å; K71-S75 PolarHBondContact O-OG 2.93Å; F72-S75 WeakPolarHBondContact CA-OG 3.18Å; F72-S75 PolarHBondContact O-N 3.43Å; F72-S75 PolarHBondContact O-OG 3.07Å; S75-G77 VanDerWaalsContact C-N 3.33Å |
| 76 | Y | 86.9 | Confident | 87.5 | Confident | 32 Ų | 32 | 47.9 Ų | 47.9 | 13% | 0.125 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -77.6 | -18.6 | 176.5 | -164.3 | -81.8 | 0 | 0 | 0 | 112.5 | L43 H47 F72 I74 Y104 E108 | L43-Y76 HydrophobicContact CB-CE2 4.14Å; L43-Y76 HydrophobicContact CD1-CE2 4.37Å; L43-Y76 HydrophobicContact CD2-CE2 4.28Å; H47-Y76 AromaticContact CD2-CE2 3.75Å; F72-Y76 HydrophobicContact CE1-CD2 4.3Å; F72-Y76 HydrophobicContact CE1-CG 4.25Å; F72-Y76 HydrophobicContact CE2-CD2 4.17Å; F72-Y76 AromaticContact CZ-CD2 3.64Å; F72-Y76 HydrophobicContact CZ-CD2 3.64Å; F72-Y76 HydrophobicContact CZ-CE2 4.36Å; F72-Y76 HydrophobicContact CZ-CG 4.04Å; F72-Y76 WeakPolarHBondContact O-CB 3.21Å; F72-Y76 PolarHBondContact O-N 3.02Å; I74-Y76 VanDerWaalsContact C-N 3.31Å; I74-Y76 PolarHBondContact O-N 3.31Å; Y76-Y104 VanDerWaalsContact CD1-OH 3.24Å; Y76-Y104 WeakPolarHBondContact CD1-OH 3.5Å; Y76-E108 HydrophobicContact CE1-CB 4.13Å; Y76-E108 HydrophobicContact CE1-CG 3.65Å; Y76-E108 VanDerWaalsContact CE1-OE2 3.23Å; Y76-E108 WeakPolarHBondContact CE1-OE2 3.06Å; Y76-E108 PolarHBondContact OH-OE2 3.06Å |
| 77 | G | 85.9 | Confident | 87.2 | Confident | 51 Ų | 51 | 51.9 Ų | 51.9 | 53% | 0.526 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 40.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L73 I74 S75 | L73-G77 PolarHBondContact O-N 3.37Å; I74-G77 PolarHBondContact O-N 2.84Å; S75-G77 VanDerWaalsContact C-N 3.33Å |
| 78 | C | 88.3 | Confident | 86.9 | Confident | 12 Ų | 12 | 52.8 Ų | 52.8 | 8% | 0.081 | 32% | 0.315 | C | S | . | . | trans | -58.8 | 124.1 | 178.6 | -172.8 | 0 | 0 | 0 | 0 | 112 | L73 Y80 T84 Y104 | L73-C78 HydrophobicContact CB-CB 3.92Å; L73-C78 HydrophobicContact CD2-CB 3.99Å; L73-C78 HydrophobicContact CG-CB 4.48Å; L73-C78 WeakPolarHBondContact O-CB 3.37Å; L73-C78 PolarHBondContact O-N 2.99Å; C78-Y80 VanDerWaalsContact C-N 3.33Å; C78-Y80 PolarHBondContact O-N 3.29Å; C78-T84 HydrophobicContact CB-CG2 4.09Å; C78-Y104 WeakPolarHBondContact CA-OH 3.33Å; C78-Y104 HydrophobicContact CB-CE1 3.86Å; C78-Y104 VanDerWaalsContact SG-CE1 3.59Å | ||
| 79 | P | 88.3 | Confident | 86.2 | Confident | 97 Ų | 97 | 56.1 Ų | 56.1 | 63% | 0.63 | 34% | 0.335 | S | S | * | . | trans | -82.1 | -8.4 | -174.3 | 32.8 | -36.6 | 0 | 0 | 0 | 113.8 | S81 Y104 | P79-S81 PolarHBondContact O-N 3.07Å; P79-Y104 HydrophobicContact CG-CE2 4.32Å | ||
| 80 | Y | 89.6 | Confident | 85.7 | Confident | 95 Ų | 95 | 61.1 Ų | 61.1 | 37% | 0.373 | 36% | 0.362 | S | S | . | . | trans | -88.2 | 103 | -175.7 | -61.7 | -70.1 | 0 | 0 | 0 | 111.1 | C78 A82 L83 T84 L100 Y104 | C78-Y80 VanDerWaalsContact C-N 3.33Å; C78-Y80 PolarHBondContact O-N 3.29Å; Y80-A82 PolarHBondContact O-N 3.35Å; Y80-A82 VanDerWaalsContact O-N 3.12Å; Y80-L83 HydrophobicContact CD2-CD1 4.32Å; Y80-L83 PolarHBondContact O-N 2.88Å; Y80-T84 PolarHBondContact O-N 3.39Å; Y80-T84 PolarHBondContact O-OG1 3.07Å; Y80-L100 HydrophobicContact CD1-CD1 4.13Å; Y80-L100 HydrophobicContact CD1-CD2 3.93Å; Y80-L100 HydrophobicContact CD1-CG 4.33Å; Y80-L100 HydrophobicContact CD2-CD1 4.49Å; Y80-L100 HydrophobicContact CD2-CG 4.35Å; Y80-L100 HydrophobicContact CE1-CD1 3.87Å; Y80-L100 HydrophobicContact CE2-CD1 4.26Å; Y80-L100 HydrophobicContact CG-CD1 4.43Å; Y80-L100 HydrophobicContact CG-CD2 3.95Å; Y80-L100 HydrophobicContact CG-CG 4.23Å; Y80-Y104 HydrophobicContact CD2-CD2 4.14Å; Y80-Y104 HydrophobicContact CD2-CG 4.18Å; Y80-Y104 AromaticContact CE2-CD2 3.69Å; Y80-Y104 HydrophobicContact CE2-CD2 3.69Å; Y80-Y104 AromaticContact CE2-CG 3.97Å; Y80-Y104 HydrophobicContact CE2-CG 3.97Å | ||
| 81 | S | 86.6 | Confident | 85.5 | Confident | 65 Ų | 65 | 60.7 Ų | 60.7 | 46% | 0.455 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -54.3 | -31.9 | 176.7 | 56.6 | 0 | 0 | 0 | 0 | 113.4 | P79 L83 T84 E85 | P79-S81 PolarHBondContact O-N 3.07Å; S81-L83 PolarHBondContact O-N 3.41Å; S81-L83 VanDerWaalsContact O-N 3.09Å; S81-T84 PolarHBondContact O-N 3.31Å; S81-E85 WeakPolarHBondContact O-CA 3.04Å; S81-E85 WeakPolarHBondContact O-CB 3.3Å; S81-E85 PolarHBondContact O-N 3.25Å |
| 82 | A | 86.3 | Confident | 85.4 | Confident | 44 Ų | 44 | 53.8 Ų | 53.8 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.8 | -17 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y80 | Y80-A82 PolarHBondContact O-N 3.35Å; Y80-A82 VanDerWaalsContact O-N 3.12Å |
| 83 | L | 87.1 | Confident | 85 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -104 | -24.6 | 178.6 | -55.9 | 179.4 | 0 | 0 | 0 | 112.3 | L73 Y80 S81 R91 F92 N97 L100 L101 | L73-L83 HydrophobicContact CD1-CB 4.21Å; Y80-L83 HydrophobicContact CD2-CD1 4.32Å; Y80-L83 PolarHBondContact O-N 2.88Å; S81-L83 PolarHBondContact O-N 3.41Å; S81-L83 VanDerWaalsContact O-N 3.09Å; L83-R91 WeakPolarHBondContact O-CD 3.4Å; L83-R91 PolarHBondContact O-NH1 2.88Å; L83-F92 HydrophobicContact CD2-CD1 4.45Å; L83-F92 HydrophobicContact CD2-CE1 4.21Å; L83-N97 HydrophobicContact CD2-CB 3.98Å; L83-L100 HydrophobicContact CD1-CD2 4.49Å; L83-L100 HydrophobicContact CD1-CG 4.41Å; L83-L100 HydrophobicContact CG-CD2 4.48Å; L83-L101 HydrophobicContact CD1-CB 4.03Å; L83-L101 HydrophobicContact CD1-CD1 4.03Å; L83-L101 HydrophobicContact CD2-CB 4.35Å |
| 84 | T | 86.1 | Confident | 84.8 | Confident | 29 Ų | 29 | 59.3 Ų | 59.3 | 18% | 0.178 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -107.5 | -19.4 | -175.1 | 52.6 | 0 | 0 | 0 | 0 | 114.3 | L73 I74 C78 Y80 S81 R91 | L73-T84 HydrophobicContact CB-CG2 4.35Å; I74-T84 HydrophobicContact CG1-CG2 4.45Å; C78-T84 HydrophobicContact CB-CG2 4.09Å; Y80-T84 PolarHBondContact O-N 3.39Å; Y80-T84 PolarHBondContact O-OG1 3.07Å; S81-T84 PolarHBondContact O-N 3.31Å; T84-R91 VanDerWaalsContact C-CZ 3.41Å; T84-R91 PolarHBondContact O-NH1 2.82Å; T84-R91 PolarHBondContact O-NH2 2.91Å |
| 85 | E | 85 | Confident | 84.8 | Confident | 132 Ų | 132 | 56.6 Ų | 56.6 | 62% | 0.617 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -114.2 | 153.7 | -178.3 | -60.3 | 177.8 | -177.6 | 0 | 0 | 112 | S81 R91 | S81-E85 WeakPolarHBondContact O-CA 3.04Å; S81-E85 WeakPolarHBondContact O-CB 3.3Å; S81-E85 PolarHBondContact O-N 3.25Å; E85-R91 VanDerWaalsContact C-NE 3.34Å; E85-R91 WeakPolarHBondContact O-CD 3.45Å; E85-R91 PolarHBondContact O-NE 3.34Å |
| 86 | G | 83.1 | Confident | 84.8 | Confident | 48 Ų | 48 | 60.9 Ų | 60.9 | 50% | 0.495 | 37% | 0.366 | S | S | . | . | S | Bend | trans | 93 | -176.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | I88 R91 | G86-I88 PolarHBondContact O-N 2.85Å; G86-R91 VanDerWaalsContact O-CZ 3.27Å; G86-R91 PolarHBondContact O-NE 3.37Å; G86-R91 PolarHBondContact O-NH2 3.29Å |
| 87 | P | 82.7 | Confident | 84.9 | Confident | 85 Ų | 85 | 60.8 Ų | 60.8 | 55% | 0.552 | 37% | 0.368 | S | S | * | . | trans | -66.9 | 123.7 | -178.2 | 25.1 | -31.5 | 0 | 0 | 0 | 111.5 | C89 D90 R91 | P87-C89 PolarHBondContact O-N 2.95Å; P87-D90 HydrophobicContact CG-CB 4.2Å; P87-D90 WeakPolarHBondContact CG-OD2 3.44Å; P87-D90 PolarHBondContact O-N 3.33Å; P87-R91 WeakPolarHBondContact O-CG 3.43Å; P87-R91 PolarHBondContact O-N 3.32Å | ||
| 88 | I | 79.5 | Confident | 85.1 | Confident | 59 Ų | 59 | 58.8 Ų | 58.8 | 30% | 0.303 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -53 | -41.8 | -172.8 | -60.7 | 167.5 | 0 | 0 | 0 | 111.8 | A66 E70 G86 D90 R91 | A66-I88 HydrophobicContact CB-CG2 3.71Å; E70-I88 WeakPolarHBondContact OE2-CD1 3.31Å; E70-I88 VanDerWaalsContact OE2-CG1 3.31Å; E70-I88 WeakPolarHBondContact OE2-CG1 3.29Å; G86-I88 PolarHBondContact O-N 2.85Å; I88-D90 PolarHBondContact O-N 3.4Å; I88-R91 PolarHBondContact O-N 3.41Å |
| 89 | C | 74.7 | Confident | 85.1 | Confident | 83 Ų | 83 | 58.5 Ų | 58.5 | 56% | 0.561 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62.4 | -28 | -177.3 | -58.6 | 0 | 0 | 0 | 0 | 113.5 | P87 S93 | P87-C89 PolarHBondContact O-N 2.95Å; C89-S93 PolarHBondContact O-OG 3.49Å |
| 90 | D | 79 | Confident | 85.1 | Confident | 104 Ų | 104 | 55.9 Ų | 55.9 | 56% | 0.556 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -97 | -19.3 | -174 | -63.4 | -28.6 | 0 | 0 | 0 | 113.3 | P87 I88 F92 S93 | P87-D90 HydrophobicContact CG-CB 4.2Å; P87-D90 WeakPolarHBondContact CG-OD2 3.44Å; P87-D90 PolarHBondContact O-N 3.33Å; I88-D90 PolarHBondContact O-N 3.4Å; D90-F92 VanDerWaalsContact C-N 3.32Å; D90-F92 PolarHBondContact O-N 2.92Å; D90-S93 WeakPolarHBondContact CA-OG 3.48Å; D90-S93 WeakPolarHBondContact O-CB 3.35Å; D90-S93 PolarHBondContact O-N 2.88Å; D90-S93 VanDerWaalsContact O-N 3.15Å |
| 91 | R | 84.3 | Confident | 85.2 | Confident | 20 Ų | 20 | 51.3 Ų | 51.3 | 8% | 0.075 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.9 | -42.6 | -171.6 | -59.8 | -165.3 | -163.3 | 153 | 3.9 | 112.4 | E70 L83 T84 E85 G86 P87 I88 N97 | E70-R91 VanDerWaalsContact CD-NH1 3.25Å; E70-R91 IonicContact OE1-CZ 2.64Å; E70-R91 IonicContact OE1-NH1 2.8Å; E70-R91 PolarHBondContact OE1-NH1 3.33Å; E70-R91 IonicContact OE1-NH2 3.13Å; E70-R91 PolarHBondContact OE1-NH2 3.03Å; L83-R91 WeakPolarHBondContact O-CD 3.4Å; L83-R91 PolarHBondContact O-NH1 2.88Å; T84-R91 VanDerWaalsContact C-CZ 3.41Å; T84-R91 PolarHBondContact O-NH1 2.82Å; T84-R91 PolarHBondContact O-NH2 2.91Å; E85-R91 VanDerWaalsContact C-NE 3.34Å; E85-R91 WeakPolarHBondContact O-CD 3.45Å; E85-R91 PolarHBondContact O-NE 3.34Å; G86-R91 VanDerWaalsContact O-CZ 3.27Å; G86-R91 PolarHBondContact O-NE 3.37Å; G86-R91 PolarHBondContact O-NH2 3.29Å; P87-R91 WeakPolarHBondContact O-CG 3.43Å; P87-R91 PolarHBondContact O-N 3.32Å; I88-R91 PolarHBondContact O-N 3.41Å; R91-N97 WeakPolarHBondContact O-CB 3.48Å; R91-N97 PolarHBondContact O-ND2 2.93Å |
| 92 | F | 86.1 | Confident | 85.4 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 7.3 | -178.9 | -45.5 | -66.3 | 0 | 0 | 0 | 112.9 | F32 Y62 A66 L69 L73 L83 D90 R98 L101 | F32-F92 HydrophobicContact CE1-CB 4.2Å; Y62-F92 WeakPolarHBondContact OH-CB 3.32Å; A66-F92 HydrophobicContact CB-CD2 4.17Å; A66-F92 HydrophobicContact CB-CE2 4.25Å; L69-F92 HydrophobicContact CB-CE2 4.48Å; L69-F92 HydrophobicContact CD2-CD1 4.08Å; L69-F92 HydrophobicContact CD2-CD2 4.12Å; L69-F92 HydrophobicContact CD2-CE1 3.68Å; L69-F92 HydrophobicContact CD2-CE2 3.72Å; L69-F92 HydrophobicContact CD2-CG 4.29Å; L69-F92 HydrophobicContact CD2-CZ 3.49Å; L69-F92 VanDerWaalsContact CD2-CZ 3.49Å; L69-F92 HydrophobicContact CG-CE1 4.34Å; L69-F92 HydrophobicContact CG-CE2 4.24Å; L69-F92 HydrophobicContact CG-CZ 3.85Å; L73-F92 HydrophobicContact CD1-CE1 4.18Å; L73-F92 HydrophobicContact CD1-CZ 4.1Å; L83-F92 HydrophobicContact CD2-CD1 4.45Å; L83-F92 HydrophobicContact CD2-CE1 4.21Å; D90-F92 VanDerWaalsContact C-N 3.32Å; D90-F92 PolarHBondContact O-N 2.92Å; F92-R98 VanDerWaalsContact O-CG 3.32Å; F92-R98 WeakPolarHBondContact O-CG 3.45Å; F92-R98 PolarHBondContact O-NE 3.39Å; F92-R98 PolarHBondContact O-NH2 3.35Å; F92-L101 HydrophobicContact CD1-CD2 4.3Å; F92-L101 HydrophobicContact CE1-CD2 4.26Å |
| 93 | S | 83.5 | Confident | 85.5 | Confident | 64 Ų | 64 | 49.5 Ų | 49.5 | 45% | 0.448 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -28.6 | 178.9 | -53.4 | 0 | 0 | 0 | 0 | 112.1 | C89 D90 | C89-S93 PolarHBondContact O-OG 3.49Å; D90-S93 WeakPolarHBondContact CA-OG 3.48Å; D90-S93 WeakPolarHBondContact O-CB 3.35Å; D90-S93 PolarHBondContact O-N 2.88Å; D90-S93 VanDerWaalsContact O-N 3.15Å |
| 94 | S | 85.9 | Confident | 85.7 | Confident | 53 Ų | 53 | 49.9 Ų | 49.9 | 37% | 0.371 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -80.4 | 127.9 | 177.9 | 179.3 | 0 | 0 | 0 | 0 | 111.8 | K96 N97 R98 | S94-K96 PolarHBondContact O-N 2.93Å; S94-K96 VanDerWaalsContact O-N 3.12Å; S94-K96 PolarHBondContact OG-N 3.1Å; S94-N97 PolarHBondContact O-N 3.4Å; S94-R98 PolarHBondContact O-N 3.12Å |
| 95 | V | 85.7 | Confident | 85.9 | Confident | 47 Ų | 47 | 48.5 Ų | 48.5 | 29% | 0.285 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -53.4 | -32.7 | 171.1 | 175.8 | 0 | 0 | 0 | 0 | 111.8 | M1 L26 E27 S99 | M1-V95 HydrophobicContact CG-CG1 4.43Å; M1-V95 HydrophobicContact SD-CG1 3.7Å; L26-V95 HydrophobicContact CB-CG1 4.17Å; L26-V95 HydrophobicContact CD1-CG1 4.37Å; E27-V95 HydrophobicContact CG-CG2 4.46Å; V95-S99 WeakPolarHBondContact O-CB 3.35Å; V95-S99 PolarHBondContact O-N 3.25Å |
| 96 | K | 86.4 | Confident | 86.2 | Confident | 159 Ų | 159 | 42.2 Ų | 42.2 | 69% | 0.691 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -64.8 | -44.4 | 176.4 | -173.9 | -175.9 | 176.3 | -173 | 0 | 111.3 | S94 S99 L100 | S94-K96 PolarHBondContact O-N 2.93Å; S94-K96 VanDerWaalsContact O-N 3.12Å; S94-K96 PolarHBondContact OG-N 3.1Å; K96-S99 PolarHBondContact O-N 3.33Å; K96-L100 WeakPolarHBondContact O-CB 3.22Å; K96-L100 PolarHBondContact O-N 2.95Å |
| 97 | N | 89.2 | Confident | 86.4 | Confident | 30 Ų | 30 | 42.6 Ų | 42.6 | 16% | 0.16 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.4 | -38.3 | -179.9 | -69.6 | 3.3 | 0 | 0 | 0 | 111.2 | L83 R91 S94 S99 L100 L101 | L83-N97 HydrophobicContact CD2-CB 3.98Å; R91-N97 WeakPolarHBondContact O-CB 3.48Å; R91-N97 PolarHBondContact O-ND2 2.93Å; S94-N97 PolarHBondContact O-N 3.4Å; N97-S99 VanDerWaalsContact C-N 3.34Å; N97-S99 PolarHBondContact O-N 3.49Å; N97-L100 PolarHBondContact O-N 2.69Å; N97-L101 WeakPolarHBondContact O-CB 3.45Å; N97-L101 PolarHBondContact O-N 3.26Å |
| 98 | R | 90.6 | Very high | 86.8 | Confident | 8 Ų | 8 | 41 Ų | 41 | 3% | 0.03 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.9 | -45.8 | 171.3 | -67.2 | -174.3 | 179 | -173.1 | -0.3 | 112.1 | L26 D29 F32 F92 S94 L101 L102 | L26-R98 HydrophobicContact CD2-CB 3.85Å; L26-R98 WeakPolarHBondContact O-CD 3.48Å; L26-R98 PolarHBondContact O-NH1 3.25Å; D29-R98 IonicContact OD1-CZ 3.01Å; D29-R98 IonicContact OD1-NH1 3.34Å; D29-R98 PolarHBondContact OD1-NH1 3.47Å; D29-R98 IonicContact OD1-NH2 3.23Å; D29-R98 PolarHBondContact OD1-NH2 2.95Å; D29-R98 IonicContact OD2-NH2 3.85Å; F32-R98 HydrophobicContact CD1-CG 4.3Å; F32-R98 HydrophobicContact CD2-CB 3.93Å; F32-R98 HydrophobicContact CD2-CG 3.97Å; F32-R98 HydrophobicContact CE1-CG 3.94Å; F32-R98 HydrophobicContact CE2-CB 3.43Å; F32-R98 VanDerWaalsContact CE2-CB 3.43Å; F32-R98 HydrophobicContact CE2-CG 3.59Å; F32-R98 HydrophobicContact CG-CG 4.3Å; F32-R98 HydrophobicContact CZ-CB 3.84Å; F32-R98 HydrophobicContact CZ-CG 3.55Å; F92-R98 VanDerWaalsContact O-CG 3.32Å; F92-R98 WeakPolarHBondContact O-CG 3.45Å; F92-R98 PolarHBondContact O-NE 3.39Å; F92-R98 PolarHBondContact O-NH2 3.35Å; S94-R98 PolarHBondContact O-N 3.12Å; R98-L101 PolarHBondContact O-N 2.82Å; R98-L102 WeakPolarHBondContact O-CG 3.08Å; R98-L102 PolarHBondContact O-N 3.46Å; R98-L102 VanDerWaalsContact O-N 3.08Å |
| 99 | S | 87.3 | Confident | 87.2 | Confident | 6 Ų | 6 | 38.2 Ų | 38.2 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.5 | -42.5 | 176.1 | -177.2 | 0 | 0 | 0 | 0 | 112 | M1 L9 V95 K96 N97 L102 Q103 | M1-S99 VanDerWaalsContact SD-CB 3.6Å; L9-S99 WeakPolarHBondContact CD1-O 3.39Å; L9-S99 VanDerWaalsContact CD1-OG 3.23Å; L9-S99 WeakPolarHBondContact CD1-OG 3.46Å; V95-S99 WeakPolarHBondContact O-CB 3.35Å; V95-S99 PolarHBondContact O-N 3.25Å; K96-S99 PolarHBondContact O-N 3.33Å; N97-S99 VanDerWaalsContact C-N 3.34Å; N97-S99 PolarHBondContact O-N 3.49Å; S99-L102 PolarHBondContact O-N 3.39Å; S99-Q103 WeakPolarHBondContact O-CB 3.24Å; S99-Q103 VanDerWaalsContact O-CG 3.31Å; S99-Q103 WeakPolarHBondContact O-CG 3.43Å; S99-Q103 PolarHBondContact O-N 3.29Å |
| 100 | L | 89.3 | Confident | 87.7 | Confident | 42 Ų | 42 | 36.7 Ų | 36.7 | 22% | 0.22 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.1 | -44.7 | 178.4 | -177.5 | 64.4 | 0 | 0 | 0 | 111.4 | Y80 L83 K96 N97 L102 Q103 Y104 | Y80-L100 HydrophobicContact CD1-CD1 4.13Å; Y80-L100 HydrophobicContact CD1-CD2 3.93Å; Y80-L100 HydrophobicContact CD1-CG 4.33Å; Y80-L100 HydrophobicContact CD2-CD1 4.49Å; Y80-L100 HydrophobicContact CD2-CG 4.35Å; Y80-L100 HydrophobicContact CE1-CD1 3.87Å; Y80-L100 HydrophobicContact CE2-CD1 4.26Å; Y80-L100 HydrophobicContact CG-CD1 4.43Å; Y80-L100 HydrophobicContact CG-CD2 3.95Å; Y80-L100 HydrophobicContact CG-CG 4.23Å; L83-L100 HydrophobicContact CD1-CD2 4.49Å; L83-L100 HydrophobicContact CD1-CG 4.41Å; L83-L100 HydrophobicContact CG-CD2 4.48Å; K96-L100 WeakPolarHBondContact O-CB 3.22Å; K96-L100 PolarHBondContact O-N 2.95Å; N97-L100 PolarHBondContact O-N 2.69Å; L100-L102 PolarHBondContact O-N 3.16Å; L100-Q103 PolarHBondContact O-N 3.13Å; L100-Y104 WeakPolarHBondContact O-CB 3.28Å; L100-Y104 PolarHBondContact O-N 2.85Å |
| 101 | L | 91.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.3 | -48.8 | 176.2 | 176.9 | 68.8 | 0 | 0 | 0 | 111.4 | F32 V36 L69 L73 L83 F92 N97 R98 Q103 Y104 L105 | F32-L101 HydrophobicContact CE2-CD2 4.33Å; F32-L101 HydrophobicContact CZ-CD2 3.65Å; V36-L101 HydrophobicContact CG1-CD2 4.17Å; V36-L101 HydrophobicContact CG2-CD2 3.78Å; L69-L101 HydrophobicContact CD1-CD2 4.4Å; L69-L101 HydrophobicContact CD2-CD2 3.71Å; L73-L101 HydrophobicContact CD1-CD1 3.8Å; L73-L101 HydrophobicContact CD2-CD1 3.69Å; L73-L101 HydrophobicContact CG-CD1 4.32Å; L83-L101 HydrophobicContact CD1-CB 4.03Å; L83-L101 HydrophobicContact CD1-CD1 4.03Å; L83-L101 HydrophobicContact CD2-CB 4.35Å; F92-L101 HydrophobicContact CD1-CD2 4.3Å; F92-L101 HydrophobicContact CE1-CD2 4.26Å; N97-L101 WeakPolarHBondContact O-CB 3.45Å; N97-L101 PolarHBondContact O-N 3.26Å; R98-L101 PolarHBondContact O-N 2.82Å; L101-Q103 PolarHBondContact O-N 3.29Å; L101-Y104 WeakPolarHBondContact O-CB 3.3Å; L101-Y104 PolarHBondContact O-N 3.43Å; L101-L105 HydrophobicContact CD1-CD1 4.06Å; L101-L105 HydrophobicContact CD1-CG 4.13Å; L101-L105 HydrophobicContact CD2-CD1 4.43Å; L101-L105 HydrophobicContact CG-CD1 3.92Å; L101-L105 HydrophobicContact CG-CG 4.34Å; L101-L105 WeakPolarHBondContact O-CG 3.32Å; L101-L105 PolarHBondContact O-N 3.24Å |
| 102 | L | 89.6 | Confident | 88.1 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.6 | -37.1 | -178.2 | -69.8 | -179.6 | 0 | 0 | 0 | 112.5 | L9 F25 L26 F32 V35 V36 L39 R98 S99 L100 Y104 C106 | L9-L102 HydrophobicContact CD1-CB 4.16Å; L9-L102 HydrophobicContact CD2-CB 4.09Å; L9-L102 HydrophobicContact CD2-CD1 4.04Å; F25-L102 HydrophobicContact CD2-CD1 3.96Å; F25-L102 HydrophobicContact CE2-CD1 3.47Å; F25-L102 VanDerWaalsContact CE2-CD1 3.47Å; L26-L102 HydrophobicContact CD2-CD1 3.75Å; F32-L102 HydrophobicContact CD2-CD1 4.32Å; F32-L102 HydrophobicContact CE2-CD1 4.26Å; F32-L102 HydrophobicContact CE2-CG 4.14Å; V35-L102 HydrophobicContact CB-CD2 4.44Å; V35-L102 HydrophobicContact CG1-CD1 4.23Å; V35-L102 HydrophobicContact CG1-CD2 3.66Å; V36-L102 HydrophobicContact CG2-CD2 3.73Å; L39-L102 HydrophobicContact CD1-CD2 3.64Å; R98-L102 WeakPolarHBondContact O-CG 3.08Å; R98-L102 PolarHBondContact O-N 3.46Å; R98-L102 VanDerWaalsContact O-N 3.08Å; S99-L102 PolarHBondContact O-N 3.39Å; L100-L102 PolarHBondContact O-N 3.16Å; L102-Y104 VanDerWaalsContact C-N 3.33Å; L102-C106 VanDerWaalsContact O-CB 3.31Å; L102-C106 WeakPolarHBondContact O-CB 3.46Å; L102-C106 PolarHBondContact O-N 3.14Å; L102-C106 PolarHBondContact O-SG 3.17Å |
| 103 | Q | 88.4 | Confident | 88 | Confident | 70 Ų | 70 | 37.7 Ų | 37.7 | 33% | 0.327 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.4 | -46 | 172.2 | -75.6 | 173.4 | 9.4 | 0 | 0 | 111 | L9 S99 L100 L101 C106 S107 | L9-Q103 HydrophobicContact CD1-CG 3.91Å; L9-Q103 HydrophobicContact CG-CG 4.42Å; S99-Q103 WeakPolarHBondContact O-CB 3.24Å; S99-Q103 VanDerWaalsContact O-CG 3.31Å; S99-Q103 WeakPolarHBondContact O-CG 3.43Å; S99-Q103 PolarHBondContact O-N 3.29Å; L100-Q103 PolarHBondContact O-N 3.13Å; L101-Q103 PolarHBondContact O-N 3.29Å; Q103-C106 PolarHBondContact O-N 3.04Å; Q103-S107 PolarHBondContact O-N 3.31Å; Q103-S107 PolarHBondContact O-OG 3.37Å; Q103-S107 VanDerWaalsContact O-OG 3.12Å |
| 104 | Y | 91.9 | Very high | 87.9 | Confident | 8 Ų | 8 | 41 Ų | 41 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.7 | -53.9 | 176.1 | 173.7 | -111.4 | 0 | 0 | 0 | 112 | L73 Y76 C78 P79 Y80 L100 L101 L102 C106 S107 E108 | L73-Y104 HydrophobicContact CD2-CD1 4.34Å; L73-Y104 HydrophobicContact CD2-CE1 4.08Å; Y76-Y104 VanDerWaalsContact CD1-OH 3.24Å; Y76-Y104 WeakPolarHBondContact CD1-OH 3.5Å; C78-Y104 WeakPolarHBondContact CA-OH 3.33Å; C78-Y104 HydrophobicContact CB-CE1 3.86Å; C78-Y104 VanDerWaalsContact SG-CE1 3.59Å; P79-Y104 HydrophobicContact CG-CE2 4.32Å; Y80-Y104 HydrophobicContact CD2-CD2 4.14Å; Y80-Y104 HydrophobicContact CD2-CG 4.18Å; Y80-Y104 AromaticContact CE2-CD2 3.69Å; Y80-Y104 HydrophobicContact CE2-CD2 3.69Å; Y80-Y104 AromaticContact CE2-CG 3.97Å; Y80-Y104 HydrophobicContact CE2-CG 3.97Å; L100-Y104 WeakPolarHBondContact O-CB 3.28Å; L100-Y104 PolarHBondContact O-N 2.85Å; L101-Y104 WeakPolarHBondContact O-CB 3.3Å; L101-Y104 PolarHBondContact O-N 3.43Å; L102-Y104 VanDerWaalsContact C-N 3.33Å; Y104-C106 VanDerWaalsContact C-N 3.29Å; Y104-C106 PolarHBondContact O-N 3.38Å; Y104-S107 WeakPolarHBondContact CA-OG 3.29Å; Y104-S107 PolarHBondContact O-N 3.44Å; Y104-S107 VanDerWaalsContact O-N 3.14Å; Y104-S107 PolarHBondContact O-OG 2.96Å; Y104-E108 HydrophobicContact CD2-CG 4.04Å; Y104-E108 HydrophobicContact CE1-CG 4.13Å; Y104-E108 HydrophobicContact CE2-CG 3.59Å; Y104-E108 WeakPolarHBondContact CE2-OE1 3.29Å; Y104-E108 WeakPolarHBondContact O-CB 3.27Å; Y104-E108 VanDerWaalsContact O-CG 3.32Å; Y104-E108 WeakPolarHBondContact O-CG 3.23Å; Y104-E108 PolarHBondContact O-N 3.24Å |
| 105 | L | 91 | Very high | 87.6 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.7 | -38.7 | 179.8 | -65.8 | 174.4 | 0 | 0 | 0 | 111.9 | V36 L39 V40 L43 F72 L101 E108 I109 | V36-L105 HydrophobicContact CG1-CD1 4.12Å; L39-L105 HydrophobicContact CB-CB 4.14Å; L39-L105 HydrophobicContact CB-CD1 4.21Å; L39-L105 HydrophobicContact CD1-CB 4.01Å; L39-L105 HydrophobicContact CD1-CD1 4.33Å; V40-L105 HydrophobicContact CG2-CD1 4.15Å; V40-L105 HydrophobicContact CG2-CD2 4.24Å; L43-L105 HydrophobicContact CD1-CD2 3.69Å; F72-L105 HydrophobicContact CE1-CD2 4.1Å; L101-L105 HydrophobicContact CD1-CD1 4.06Å; L101-L105 HydrophobicContact CD1-CG 4.13Å; L101-L105 HydrophobicContact CD2-CD1 4.43Å; L101-L105 HydrophobicContact CG-CD1 3.92Å; L101-L105 HydrophobicContact CG-CG 4.34Å; L101-L105 WeakPolarHBondContact O-CG 3.32Å; L101-L105 PolarHBondContact O-N 3.24Å; L105-E108 PolarHBondContact O-N 3.07Å; L105-I109 WeakPolarHBondContact O-CG1 3.29Å; L105-I109 PolarHBondContact O-N 3.3Å |
| 106 | C | 89.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.2 | -44.4 | 175.2 | -69.5 | 0 | 0 | 0 | 0 | 112 | F12 V16 L102 Q103 Y104 E108 I109 M110 | F12-C106 HydrophobicContact CB-CB 4.31Å; V16-C106 HydrophobicContact CG2-CB 4.03Å; L102-C106 VanDerWaalsContact O-CB 3.31Å; L102-C106 WeakPolarHBondContact O-CB 3.46Å; L102-C106 PolarHBondContact O-N 3.14Å; L102-C106 PolarHBondContact O-SG 3.17Å; Q103-C106 PolarHBondContact O-N 3.04Å; Y104-C106 VanDerWaalsContact C-N 3.29Å; Y104-C106 PolarHBondContact O-N 3.38Å; C106-E108 VanDerWaalsContact C-N 3.29Å; C106-E108 PolarHBondContact O-N 3.19Å; C106-I109 PolarHBondContact O-N 3.45Å; C106-M110 VanDerWaalsContact O-CG 3.3Å; C106-M110 WeakPolarHBondContact O-CG 3.36Å; C106-M110 PolarHBondContact O-N 3.13Å |
| 107 | S | 88.5 | Confident | 86.3 | Confident | 57 Ų | 57 | 40.3 Ų | 40.3 | 40% | 0.399 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.4 | -37.5 | 177.3 | 53.1 | 0 | 0 | 0 | 0 | 112 | Q103 Y104 M110 A111 | Q103-S107 PolarHBondContact O-N 3.31Å; Q103-S107 PolarHBondContact O-OG 3.37Å; Q103-S107 VanDerWaalsContact O-OG 3.12Å; Y104-S107 WeakPolarHBondContact CA-OG 3.29Å; Y104-S107 PolarHBondContact O-N 3.44Å; Y104-S107 VanDerWaalsContact O-N 3.14Å; Y104-S107 PolarHBondContact O-OG 2.96Å; S107-M110 PolarHBondContact O-N 3.02Å; S107-A111 VanDerWaalsContact O-CB 3.32Å; S107-A111 WeakPolarHBondContact O-CB 3.49Å; S107-A111 PolarHBondContact O-N 2.92Å |
| 108 | E | 90.7 | Very high | 85 | Confident | 51 Ų | 51 | 44.3 Ų | 44.3 | 24% | 0.238 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.7 | -40.9 | 175.6 | -72.5 | -55.4 | 137.9 | 0 | 0 | 112.1 | L43 Y76 Y104 L105 C106 A111 T112 | L43-E108 HydrophobicContact CD1-CB 3.97Å; L43-E108 HydrophobicContact CD2-CB 3.92Å; Y76-E108 HydrophobicContact CE1-CB 4.13Å; Y76-E108 HydrophobicContact CE1-CG 3.65Å; Y76-E108 VanDerWaalsContact CE1-OE2 3.23Å; Y76-E108 WeakPolarHBondContact CE1-OE2 3.06Å; Y76-E108 PolarHBondContact OH-OE2 3.06Å; Y104-E108 HydrophobicContact CD2-CG 4.04Å; Y104-E108 HydrophobicContact CE1-CG 4.13Å; Y104-E108 HydrophobicContact CE2-CG 3.59Å; Y104-E108 WeakPolarHBondContact CE2-OE1 3.29Å; Y104-E108 WeakPolarHBondContact O-CB 3.27Å; Y104-E108 VanDerWaalsContact O-CG 3.32Å; Y104-E108 WeakPolarHBondContact O-CG 3.23Å; Y104-E108 PolarHBondContact O-N 3.24Å; L105-E108 PolarHBondContact O-N 3.07Å; C106-E108 VanDerWaalsContact C-N 3.29Å; C106-E108 PolarHBondContact O-N 3.19Å; E108-A111 PolarHBondContact O-N 3.04Å; E108-T112 WeakPolarHBondContact O-CB 3.36Å; E108-T112 WeakPolarHBondContact O-CG2 3.14Å; E108-T112 PolarHBondContact O-N 3.33Å; E108-T112 PolarHBondContact O-OG1 2.77Å |
| 109 | I | 88.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.1 | -42.5 | 174.9 | -69.9 | 167.7 | 0 | 0 | 0 | 110.8 | V16 L39 E42 L43 L105 C106 T112 R113 | V16-I109 HydrophobicContact CG1-CB 4.33Å; V16-I109 HydrophobicContact CG1-CD1 3.92Å; V16-I109 HydrophobicContact CG1-CG2 3.75Å; V16-I109 HydrophobicContact CG2-CB 4.47Å; V16-I109 HydrophobicContact CG2-CG2 4.34Å; L39-I109 HydrophobicContact CB-CD1 3.88Å; L39-I109 HydrophobicContact CD2-CD1 3.44Å; L39-I109 VanDerWaalsContact CD2-CD1 3.44Å; L39-I109 HydrophobicContact CG-CD1 4.22Å; E42-I109 HydrophobicContact CB-CD1 4.25Å; E42-I109 WeakPolarHBondContact OE1-CG2 3.47Å; L43-I109 HydrophobicContact CD1-CG1 4.22Å; L43-I109 HydrophobicContact CD2-CB 4.34Å; L43-I109 HydrophobicContact CD2-CG1 3.49Å; L43-I109 VanDerWaalsContact CD2-CG1 3.49Å; L43-I109 HydrophobicContact CG-CD1 4.3Å; L43-I109 HydrophobicContact CG-CG1 3.58Å; L105-I109 WeakPolarHBondContact O-CG1 3.29Å; L105-I109 PolarHBondContact O-N 3.3Å; C106-I109 PolarHBondContact O-N 3.45Å; I109-T112 VanDerWaalsContact CA-OG1 3.24Å; I109-T112 WeakPolarHBondContact CA-OG1 3.48Å; I109-T112 PolarHBondContact O-N 2.51Å; I109-T112 PolarHBondContact O-OG1 3.06Å; I109-R113 HydrophobicContact CG2-CG 4.33Å; I109-R113 WeakPolarHBondContact O-CB 3.45Å; I109-R113 VanDerWaalsContact O-CG 3.24Å; I109-R113 WeakPolarHBondContact O-CG 3.23Å; I109-R113 PolarHBondContact O-N 3.18Å |
| 110 | M | 85.6 | Confident | 81.8 | Confident | 51 Ų | 51 | 54.9 Ų | 54.9 | 25% | 0.251 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 176.8 | -69.8 | -179.3 | -174.1 | 0 | 0 | 111.4 | F12 A15 V16 C106 S107 R113 Q114 | F12-M110 HydrophobicContact CD1-CE 3.89Å; F12-M110 HydrophobicContact CD1-SD 4.41Å; A15-M110 HydrophobicContact CB-CE 3.53Å; V16-M110 HydrophobicContact CG2-CE 3.83Å; V16-M110 HydrophobicContact CG2-CG 4.34Å; C106-M110 VanDerWaalsContact O-CG 3.3Å; C106-M110 WeakPolarHBondContact O-CG 3.36Å; C106-M110 PolarHBondContact O-N 3.13Å; S107-M110 PolarHBondContact O-N 3.02Å; M110-R113 PolarHBondContact O-N 3Å; M110-Q114 WeakPolarHBondContact O-CG 3.37Å; M110-Q114 PolarHBondContact O-N 2.61Å |
| 111 | A | 86 | Confident | 79.9 | Confident | 37 Ų | 37 | 57.7 Ų | 57.7 | 31% | 0.306 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | S107 E108 R113 Q114 L115 | S107-A111 VanDerWaalsContact O-CB 3.32Å; S107-A111 WeakPolarHBondContact O-CB 3.49Å; S107-A111 PolarHBondContact O-N 2.92Å; E108-A111 PolarHBondContact O-N 3.04Å; A111-R113 PolarHBondContact O-N 2.87Å; A111-Q114 PolarHBondContact O-N 3.48Å; A111-L115 WeakPolarHBondContact O-CB 3.44Å; A111-L115 VanDerWaalsContact O-CG 3.31Å; A111-L115 WeakPolarHBondContact O-CG 3.16Å; A111-L115 PolarHBondContact O-N 3.29Å |
| 112 | T | 84.5 | Confident | 77.5 | Confident | 10 Ų | 10 | 60.5 Ų | 60.5 | 6% | 0.061 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 177.5 | 43.4 | 0 | 0 | 0 | 0 | 112.7 | L43 H47 E108 I109 L115 S116 | L43-T112 HydrophobicContact CD2-CG2 4.27Å; H47-T112 VanDerWaalsContact CD2-CG2 3.49Å; H47-T112 WeakPolarHBondContact CD2-CG2 3.33Å; H47-T112 WeakPolarHBondContact NE2-CG2 3.41Å; E108-T112 WeakPolarHBondContact O-CB 3.36Å; E108-T112 WeakPolarHBondContact O-CG2 3.14Å; E108-T112 PolarHBondContact O-N 3.33Å; E108-T112 PolarHBondContact O-OG1 2.77Å; I109-T112 VanDerWaalsContact CA-OG1 3.24Å; I109-T112 WeakPolarHBondContact CA-OG1 3.48Å; I109-T112 PolarHBondContact O-N 2.51Å; I109-T112 PolarHBondContact O-OG1 3.06Å; T112-L115 PolarHBondContact O-N 2.91Å; T112-S116 WeakPolarHBondContact O-CB 3.46Å; T112-S116 PolarHBondContact O-N 3.18Å; T112-S116 PolarHBondContact O-OG 3.08Å |
| 113 | R | 85 | Confident | 75.2 | Confident | 99 Ų | 99 | 69.5 Ų | 69.5 | 37% | 0.374 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 173.2 | -73.5 | 174.4 | -179.3 | -172.2 | 2.2 | 111.5 | V16 E42 I109 M110 A111 S116 T117 | V16-R113 VanDerWaalsContact O-CZ 3.3Å; V16-R113 PolarHBondContact O-NH1 2.73Å; V16-R113 PolarHBondContact O-NH2 3.49Å; E42-R113 IonicContact OE1-CZ 2.75Å; E42-R113 VanDerWaalsContact OE1-CZ 3.23Å; E42-R113 IonicContact OE1-NE 3.73Å; E42-R113 PolarHBondContact OE1-NE 3.44Å; E42-R113 IonicContact OE1-NH2 2.78Å; E42-R113 PolarHBondContact OE1-NH2 3.16Å; E42-R113 IonicContact OE2-NH2 2.74Å; E42-R113 PolarHBondContact OE2-NH2 2.89Å; I109-R113 HydrophobicContact CG2-CG 4.33Å; I109-R113 WeakPolarHBondContact O-CB 3.45Å; I109-R113 VanDerWaalsContact O-CG 3.24Å; I109-R113 WeakPolarHBondContact O-CG 3.23Å; I109-R113 PolarHBondContact O-N 3.18Å; M110-R113 PolarHBondContact O-N 3Å; A111-R113 PolarHBondContact O-N 2.87Å; R113-S116 WeakPolarHBondContact O-CB 3.3Å; R113-S116 PolarHBondContact O-N 2.9Å; R113-T117 PolarHBondContact O-N 2.99Å; R113-T117 VanDerWaalsContact O-N 3.08Å |
| 114 | Q | 81.1 | Confident | 73 | Confident | 132 Ų | 132 | 73.2 Ų | 73.2 | 62% | 0.617 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61.7 | -46.2 | 175.8 | -74 | -179.6 | -3.8 | 0 | 0 | 111.8 | M110 A111 S116 T117 L118 | M110-Q114 WeakPolarHBondContact O-CG 3.37Å; M110-Q114 PolarHBondContact O-N 2.61Å; A111-Q114 PolarHBondContact O-N 3.48Å; Q114-S116 VanDerWaalsContact C-N 3.27Å; Q114-S116 PolarHBondContact O-N 2.77Å; Q114-T117 PolarHBondContact O-N 2.76Å; Q114-T117 VanDerWaalsContact O-N 3.16Å; Q114-T117 PolarHBondContact O-OG1 2.82Å; Q114-L118 PolarHBondContact O-N 3.49Å; Q114-L118 VanDerWaalsContact O-N 3.15Å |
| 115 | L | 79.6 | Confident | 70.6 | Confident | 92 Ų | 92 | 78 Ų | 78 | 48% | 0.482 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63 | -33.8 | 176.3 | -71.2 | 171.1 | 0 | 0 | 0 | 112.4 | A111 T112 L118 K119 | A111-L115 WeakPolarHBondContact O-CB 3.44Å; A111-L115 VanDerWaalsContact O-CG 3.31Å; A111-L115 WeakPolarHBondContact O-CG 3.16Å; A111-L115 PolarHBondContact O-N 3.29Å; T112-L115 PolarHBondContact O-N 2.91Å; L115-L118 HydrophobicContact CD2-CD1 4.38Å; L115-L118 PolarHBondContact O-N 3.49Å; L115-K119 WeakPolarHBondContact O-CG 3.41Å; L115-K119 PolarHBondContact O-N 3.04Å |
| 116 | S | 75.2 | Confident | 67.8 | Low | 64 Ų | 64 | 85.5 Ų | 85.5 | 45% | 0.448 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66 | -39.7 | 175.6 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | T112 R113 Q114 L118 K119 S120 | T112-S116 WeakPolarHBondContact O-CB 3.46Å; T112-S116 PolarHBondContact O-N 3.18Å; T112-S116 PolarHBondContact O-OG 3.08Å; R113-S116 WeakPolarHBondContact O-CB 3.3Å; R113-S116 PolarHBondContact O-N 2.9Å; Q114-S116 VanDerWaalsContact C-N 3.27Å; Q114-S116 PolarHBondContact O-N 2.77Å; S116-L118 PolarHBondContact O-N 3.01Å; S116-K119 PolarHBondContact O-N 3.26Å; S116-S120 PolarHBondContact O-N 3.47Å; S116-S120 PolarHBondContact O-OG 3.09Å |
| 117 | T | 70.5 | Confident | 65.2 | Low | 89 Ų | 89 | 94.3 Ų | 94.3 | 55% | 0.546 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.4 | -28 | 173.8 | 60.5 | 0 | 0 | 0 | 0 | 112.9 | R113 Q114 S120 V121 | R113-T117 PolarHBondContact O-N 2.99Å; R113-T117 VanDerWaalsContact O-N 3.08Å; Q114-T117 PolarHBondContact O-N 2.76Å; Q114-T117 VanDerWaalsContact O-N 3.16Å; Q114-T117 PolarHBondContact O-OG1 2.82Å; T117-S120 PolarHBondContact O-OG 3.46Å; T117-V121 WeakPolarHBondContact O-CG2 3.49Å |
| 118 | L | 61.9 | Low | 62.5 | Low | 115 Ų | 115 | 100 Ų | 100 | 60% | 0.602 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -77 | -41 | 173.8 | -65.9 | 172.4 | 0 | 0 | 0 | 111.8 | Q114 L115 S116 S120 V121 G122 | Q114-L118 PolarHBondContact O-N 3.49Å; Q114-L118 VanDerWaalsContact O-N 3.15Å; L115-L118 HydrophobicContact CD2-CD1 4.38Å; L115-L118 PolarHBondContact O-N 3.49Å; S116-L118 PolarHBondContact O-N 3.01Å; L118-S120 VanDerWaalsContact C-N 3.35Å; L118-S120 PolarHBondContact O-N 3.29Å; L118-V121 WeakPolarHBondContact O-CB 3.26Å; L118-V121 PolarHBondContact O-N 3.5Å; L118-V121 VanDerWaalsContact O-N 3.13Å; L118-G122 PolarHBondContact O-N 3.39Å |
| 119 | K | 60.8 | Low | 59.7 | Low | 145 Ų | 145 | 105.4 Ų | 105.4 | 63% | 0.63 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.6 | -32.5 | 178.1 | -75.3 | -178.9 | -179.7 | 179.1 | 0 | 113.3 | L115 S116 V121 G122 K123 | L115-K119 WeakPolarHBondContact O-CG 3.41Å; L115-K119 PolarHBondContact O-N 3.04Å; S116-K119 PolarHBondContact O-N 3.26Å; K119-V121 PolarHBondContact O-N 3.48Å; K119-G122 PolarHBondContact O-N 3.43Å; K119-K123 PolarHBondContact O-N 3.47Å |
| 120 | S | 50.1 | Low | 57.1 | Low | 90 Ų | 90 | 112.6 Ų | 112.6 | 63% | 0.629 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.9 | -29.5 | 173.5 | 53.8 | 0 | 0 | 0 | 0 | 112 | S116 T117 L118 | S116-S120 PolarHBondContact O-N 3.47Å; S116-S120 PolarHBondContact O-OG 3.09Å; T117-S120 PolarHBondContact O-OG 3.46Å; L118-S120 VanDerWaalsContact C-N 3.35Å; L118-S120 PolarHBondContact O-N 3.29Å |
| 121 | V | 48.8 | Very low | 54.9 | Low | 101 Ų | 101 | 119.2 Ų | 119.2 | 61% | 0.612 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -74.6 | -33.9 | 174.1 | -179 | 0 | 0 | 0 | 0 | 111.2 | T117 L118 K119 | T117-V121 WeakPolarHBondContact O-CG2 3.49Å; L118-V121 WeakPolarHBondContact O-CB 3.26Å; L118-V121 PolarHBondContact O-N 3.5Å; L118-V121 VanDerWaalsContact O-N 3.13Å; K119-V121 PolarHBondContact O-N 3.48Å |
| 122 | G | 41.3 | Very low | 52.7 | Low | 60 Ų | 60 | 123.8 Ų | 123.8 | 62% | 0.619 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -86.3 | -1.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | L118 K119 Q124 | L118-G122 PolarHBondContact O-N 3.39Å; K119-G122 PolarHBondContact O-N 3.43Å; G122-Q124 VanDerWaalsContact C-N 3.28Å; G122-Q124 PolarHBondContact O-N 3.25Å |
| 123 | K | 40.5 | Very low | 50.7 | Low | 188 Ų | 188 | 129.5 Ų | 129.5 | 82% | 0.817 | 68% | 0.683 | S | S | * | * | trans | -83.8 | 12 | -175.6 | -97.9 | -171.3 | 179.2 | -175.7 | 0 | 115.7 | K119 | K119-K123 PolarHBondContact O-N 3.47Š| ||
| 124 | Q | 42.9 | Very low | 48.8 | Very low | 148 Ų | 148 | 130.9 Ų | 130.9 | 69% | 0.692 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -113.7 | 126.4 | 167.8 | -64.9 | -159.1 | 4.2 | 0 | 0 | 111.1 | G122 | G122-Q124 VanDerWaalsContact C-N 3.28Å; G122-Q124 PolarHBondContact O-N 3.25Å |
| 125 | S | 40.2 | Very low | 47.4 | Very low | 110 Ų | 110 | 126.9 Ų | 126.9 | 77% | 0.769 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 88 | 94.1 | 174 | 74.3 | 0 | 0 | 0 | 0 | 117.9 | ||
| 126 | N | 33.3 | Very low | 46.5 | Very low | 156 Ų | 156 | 126 Ų | 126 | 83% | 0.834 | 69% | 0.686 | S | S | * | * | 53.9 | 109.5 | 126.6 | -63.2 | -12.9 | 0 | 0 | 0 | 119.2 | H128 | N126-H128 PolarHBondContact O-N 2.82Š| |||
| 127 | E | 33.8 | Very low | 45.7 | Very low | 185 Ų | 185 | 129.5 Ų | 129.5 | 86% | 0.864 | 70% | 0.695 | S | S | * | * | trans | -28.9 | 99.5 | 147.1 | -59.7 | 174.9 | 155.3 | 0 | 0 | 112.2 | ||||
| 128 | H | 32.5 | Very low | 45.3 | Very low | 178 Ų | 178 | 130 Ų | 130 | 82% | 0.824 | 69% | 0.694 | S | S | * | * | trans | -174.4 | 114.1 | 147.3 | -95.7 | -72.8 | 0 | 0 | 0 | 109.4 | N126 | N126-H128 PolarHBondContact O-N 2.82Š| ||
| 129 | H | 31.7 | Very low | 45.7 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 76% | 0.755 | 69% | 0.686 | S | S | * | * | trans | 76.3 | 104 | 154.7 | -86.2 | 36.5 | 0 | 0 | 0 | 120.3 | ||||
| 130 | L | 33.5 | Very low | 46.5 | Very low | 151 Ų | 151 | 126.1 Ų | 126.1 | 79% | 0.791 | 69% | 0.685 | S | S | * | * | S | Bend | 43.7 | 117.5 | 122.8 | -56.2 | 173.7 | 0 | 0 | 0 | 118.4 | |||
| 131 | M | 40.8 | Very low | 47.7 | Very low | 191 Ų | 191 | 128.5 Ų | 128.5 | 94% | 0.941 | 69% | 0.686 | S | S | * | * | trans | 87.1 | 67.5 | 172.4 | -55 | -160.4 | 141.8 | 0 | 0 | 115.9 | ||||
| 132 | D | 38.2 | Very low | 49.2 | Very low | 133 Ų | 133 | 128.4 Ų | 128.4 | 71% | 0.711 | 68% | 0.681 | S | S | * | * | trans | -109.9 | 60.8 | 178.7 | -160.2 | 21.2 | 0 | 0 | 0 | 111.8 | S135 | D132-S135 VanDerWaalsContact OD1-CB 3.26Å; D132-S135 WeakPolarHBondContact OD1-CB 3.28Å; D132-S135 PolarHBondContact OD1-OG 3.13Å | ||
| 133 | V | 43.7 | Very low | 51 | Low | 129 Ų | 129 | 130 Ų | 130 | 78% | 0.782 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -115.4 | -19.3 | 176.2 | -178.2 | 0 | 0 | 0 | 0 | 113.1 | ||
| 134 | D | 44.8 | Very low | 53.1 | Low | 128 Ų | 128 | 123.1 Ų | 123.1 | 68% | 0.684 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -96.8 | -17.9 | 178.5 | -93.6 | -14.6 | 0 | 0 | 0 | 114.2 | S136 E137 | D134-S136 PolarHBondContact O-N 3.36Å; D134-S136 VanDerWaalsContact O-N 3.12Å; D134-E137 PolarHBondContact O-N 3.15Å |
| 135 | S | 52.2 | Low | 55 | Low | 49 Ų | 49 | 120 Ų | 120 | 34% | 0.343 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -61.9 | -28.6 | -172.8 | -48.5 | 0 | 0 | 0 | 0 | 113.4 | D132 N139 | D132-S135 VanDerWaalsContact OD1-CB 3.26Å; D132-S135 WeakPolarHBondContact OD1-CB 3.28Å; D132-S135 PolarHBondContact OD1-OG 3.13Å; S135-N139 VanDerWaalsContact O-CB 3.26Å; S135-N139 WeakPolarHBondContact O-CB 3.13Å; S135-N139 PolarHBondContact O-N 3.27Å; S135-N139 VanDerWaalsContact O-N 3.07Å; S135-N139 PolarHBondContact O-ND2 3.39Å |
| 136 | S | 59.3 | Low | 57.1 | Low | 72 Ų | 72 | 116.1 Ų | 116.1 | 50% | 0.503 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -72.3 | -39.3 | -173.4 | 58.4 | 0 | 0 | 0 | 0 | 113.6 | D134 V140 | D134-S136 PolarHBondContact O-N 3.36Å; D134-S136 VanDerWaalsContact O-N 3.12Å; S136-V140 VanDerWaalsContact O-CG2 3.3Å; S136-V140 WeakPolarHBondContact O-CG2 3.37Å; S136-V140 PolarHBondContact O-N 3.19Å; S136-V140 VanDerWaalsContact O-N 3.13Å |
| 137 | E | 58.7 | Low | 59.6 | Low | 139 Ų | 139 | 114.5 Ų | 114.5 | 65% | 0.65 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.5 | -46.6 | -179.2 | -65.8 | -166.2 | 167.2 | 0 | 0 | 110.3 | D134 N139 V140 E141 | D134-E137 PolarHBondContact O-N 3.15Å; E137-N139 VanDerWaalsContact C-N 3.3Å; E137-N139 PolarHBondContact O-N 3.43Å; E137-V140 PolarHBondContact O-N 3.37Å; E137-V140 VanDerWaalsContact O-N 3.11Å; E137-E141 PolarHBondContact O-N 2.92Å |
| 138 | D | 62.2 | Low | 62.2 | Low | 98 Ų | 98 | 112.4 Ų | 112.4 | 52% | 0.524 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -56.9 | -43.8 | 175.2 | -77.1 | -11.6 | 0 | 0 | 0 | 111.7 | V140 E141 I142 | D138-V140 VanDerWaalsContact C-N 3.34Å; D138-V140 PolarHBondContact O-N 2.79Å; D138-E141 PolarHBondContact O-N 3.48Å; D138-I142 WeakPolarHBondContact O-CB 3.46Å; D138-I142 WeakPolarHBondContact O-CD1 3.4Å; D138-I142 WeakPolarHBondContact O-CG1 3.19Å; D138-I142 PolarHBondContact O-N 2.84Å |
| 139 | N | 70.4 | Confident | 64.8 | Low | 81 Ų | 81 | 105.6 Ų | 105.6 | 43% | 0.433 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.4 | -39.9 | 177.8 | -77.9 | -30.2 | 0 | 0 | 0 | 112.3 | S135 E137 L143 | S135-N139 VanDerWaalsContact O-CB 3.26Å; S135-N139 WeakPolarHBondContact O-CB 3.13Å; S135-N139 PolarHBondContact O-N 3.27Å; S135-N139 VanDerWaalsContact O-N 3.07Å; S135-N139 PolarHBondContact O-ND2 3.39Å; E137-N139 VanDerWaalsContact C-N 3.3Å; E137-N139 PolarHBondContact O-N 3.43Å; N139-L143 WeakPolarHBondContact O-CB 3.45Å; N139-L143 VanDerWaalsContact O-CG 3.23Å; N139-L143 WeakPolarHBondContact O-CG 3.45Å; N139-L143 PolarHBondContact O-N 2.98Å |
| 140 | V | 76.6 | Confident | 67.5 | Low | 99 Ų | 99 | 98 Ų | 98 | 60% | 0.6 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.5 | -42.4 | 177.3 | 171.4 | 0 | 0 | 0 | 0 | 111 | S136 E137 D138 L143 S144 | S136-V140 VanDerWaalsContact O-CG2 3.3Å; S136-V140 WeakPolarHBondContact O-CG2 3.37Å; S136-V140 PolarHBondContact O-N 3.19Å; S136-V140 VanDerWaalsContact O-N 3.13Å; E137-V140 PolarHBondContact O-N 3.37Å; E137-V140 VanDerWaalsContact O-N 3.11Å; D138-V140 VanDerWaalsContact C-N 3.34Å; D138-V140 PolarHBondContact O-N 2.79Å; V140-L143 PolarHBondContact O-N 2.73Å; V140-S144 WeakPolarHBondContact O-CB 3.44Å; V140-S144 PolarHBondContact O-N 2.94Å |
| 141 | E | 76.1 | Confident | 70.2 | Confident | 140 Ų | 140 | 99.3 Ų | 99.3 | 65% | 0.654 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.8 | -42.7 | 177.4 | -68.8 | -162.7 | 169.2 | 0 | 0 | 112.1 | E137 D138 S144 C145 | E137-E141 PolarHBondContact O-N 2.92Å; D138-E141 PolarHBondContact O-N 3.48Å; E141-S144 WeakPolarHBondContact O-CB 3.4Å; E141-S144 PolarHBondContact O-N 3.46Å; E141-C145 WeakPolarHBondContact O-CB 3.33Å; E141-C145 PolarHBondContact O-N 2.86Å |
| 142 | I | 80.6 | Confident | 72.5 | Confident | 99 Ų | 99 | 94.5 Ų | 94.5 | 51% | 0.508 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -47.7 | 176.7 | -68.5 | 164.8 | 0 | 0 | 0 | 110.3 | D138 S144 C145 L146 | D138-I142 WeakPolarHBondContact O-CB 3.46Å; D138-I142 WeakPolarHBondContact O-CD1 3.4Å; D138-I142 WeakPolarHBondContact O-CG1 3.19Å; D138-I142 PolarHBondContact O-N 2.84Å; I142-S144 VanDerWaalsContact C-N 3.34Å; I142-S144 PolarHBondContact O-N 3.22Å; I142-C145 WeakPolarHBondContact O-CB 3.35Å; I142-C145 PolarHBondContact O-N 3.16Å; I142-L146 VanDerWaalsContact O-CB 3.31Å; I142-L146 WeakPolarHBondContact O-CB 3.37Å; I142-L146 PolarHBondContact O-N 3.23Å |
| 143 | L | 79.8 | Confident | 74.9 | Confident | 92 Ų | 92 | 90 Ų | 90 | 48% | 0.482 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 177.4 | -73.1 | 172.7 | 0 | 0 | 0 | 111.8 | N139 V140 C145 L146 Q147 | N139-L143 WeakPolarHBondContact O-CB 3.45Å; N139-L143 VanDerWaalsContact O-CG 3.23Å; N139-L143 WeakPolarHBondContact O-CG 3.45Å; N139-L143 PolarHBondContact O-N 2.98Å; V140-L143 PolarHBondContact O-N 2.73Å; L143-C145 VanDerWaalsContact C-N 3.35Å; L143-C145 PolarHBondContact O-N 2.84Å; L143-L146 PolarHBondContact O-N 2.95Å; L143-Q147 WeakPolarHBondContact O-CB 3.38Å; L143-Q147 VanDerWaalsContact O-CG 3.3Å; L143-Q147 WeakPolarHBondContact O-CG 3.47Å; L143-Q147 PolarHBondContact O-N 3.48Å |
| 144 | S | 83.6 | Confident | 76.9 | Confident | 44 Ų | 44 | 87.1 Ų | 87.1 | 31% | 0.308 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 174.5 | -173.6 | 0 | 0 | 0 | 0 | 111.9 | V140 E141 I142 K148 | V140-S144 WeakPolarHBondContact O-CB 3.44Å; V140-S144 PolarHBondContact O-N 2.94Å; E141-S144 WeakPolarHBondContact O-CB 3.4Å; E141-S144 PolarHBondContact O-N 3.46Å; I142-S144 VanDerWaalsContact C-N 3.34Å; I142-S144 PolarHBondContact O-N 3.22Å; S144-K148 VanDerWaalsContact O-CG 3.28Å; S144-K148 WeakPolarHBondContact O-CG 3.35Å; S144-K148 PolarHBondContact O-N 3.02Å; S144-K148 PolarHBondContact OG-NZ 2.98Å |
| 145 | C | 83.1 | Confident | 79 | Confident | 82 Ų | 82 | 84 Ų | 84 | 55% | 0.554 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.1 | -44 | 176.9 | -168.5 | 0 | 0 | 0 | 0 | 111.2 | E141 I142 L143 K148 A149 | E141-C145 WeakPolarHBondContact O-CB 3.33Å; E141-C145 PolarHBondContact O-N 2.86Å; I142-C145 WeakPolarHBondContact O-CB 3.35Å; I142-C145 PolarHBondContact O-N 3.16Å; L143-C145 VanDerWaalsContact C-N 3.35Å; L143-C145 PolarHBondContact O-N 2.84Å; C145-K148 WeakPolarHBondContact O-CB 3.42Å; C145-K148 PolarHBondContact O-N 3.18Å; C145-A149 PolarHBondContact O-N 3.23Å |
| 146 | L | 85.1 | Confident | 80.5 | Confident | 29 Ų | 29 | 91.1 Ų | 91.1 | 15% | 0.152 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -65.3 | -43.5 | 179.7 | -159.9 | 148.1 | 0 | 0 | 0 | 110.9 | I142 L143 K148 A149 F150 M157 I167 | I142-L146 VanDerWaalsContact O-CB 3.31Å; I142-L146 WeakPolarHBondContact O-CB 3.37Å; I142-L146 PolarHBondContact O-N 3.23Å; L143-L146 PolarHBondContact O-N 2.95Å; L146-K148 VanDerWaalsContact C-N 3.34Å; L146-K148 PolarHBondContact O-N 3.46Å; L146-A149 WeakPolarHBondContact O-CB 3.35Å; L146-A149 PolarHBondContact O-N 3.19Å; L146-A149 VanDerWaalsContact O-N 3.15Å; L146-F150 HydrophobicContact CD2-CD2 3.57Å; L146-F150 HydrophobicContact CD2-CE2 3.43Å; L146-F150 VanDerWaalsContact CD2-CE2 3.43Å; L146-F150 HydrophobicContact CG-CD2 4.28Å; L146-F150 HydrophobicContact CG-CE2 4.15Å; L146-F150 WeakPolarHBondContact O-CD2 3.28Å; L146-F150 PolarHBondContact O-N 3.46Å; L146-M157 HydrophobicContact CD2-CE 3.23Å; L146-M157 HydrophobicContact CD2-SD 3.2Å; L146-M157 WeakPolarHBondContact CD2-SD 3.41Å; L146-M157 HydrophobicContact CG-CE 4.47Å; L146-I167 HydrophobicContact CD1-CG2 3.93Å; L146-I167 HydrophobicContact CD2-CG2 3.93Å; L146-I167 HydrophobicContact CG-CG2 4.4Å |
| 147 | Q | 85.1 | Confident | 81.6 | Confident | 122 Ų | 122 | 91 Ų | 91 | 57% | 0.57 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -58.1 | -42.8 | 171.7 | -74 | 176.9 | -2.4 | 0 | 0 | 112.8 | L143 A149 F150 K151 M157 | L143-Q147 WeakPolarHBondContact O-CB 3.38Å; L143-Q147 VanDerWaalsContact O-CG 3.3Å; L143-Q147 WeakPolarHBondContact O-CG 3.47Å; L143-Q147 PolarHBondContact O-N 3.48Å; Q147-A149 VanDerWaalsContact C-N 3.34Å; Q147-F150 PolarHBondContact O-N 3.48Å; Q147-K151 VanDerWaalsContact O-CB 3.28Å; Q147-K151 WeakPolarHBondContact O-CB 3.46Å; Q147-K151 PolarHBondContact O-N 2.89Å; Q147-M157 VanDerWaalsContact CA-CE 3.45Å; Q147-M157 HydrophobicContact CB-CE 4.07Å; Q147-M157 HydrophobicContact CG-CE 3.51Å |
| 148 | K | 87.4 | Confident | 82.7 | Confident | 141 Ų | 141 | 85.4 Ų | 85.4 | 61% | 0.613 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.8 | -41.3 | 175.3 | -71.2 | 164.8 | -173.5 | 161.8 | 0 | 111.4 | S144 C145 L146 K151 A152 | S144-K148 VanDerWaalsContact O-CG 3.28Å; S144-K148 WeakPolarHBondContact O-CG 3.35Å; S144-K148 PolarHBondContact O-N 3.02Å; S144-K148 PolarHBondContact OG-NZ 2.98Å; C145-K148 WeakPolarHBondContact O-CB 3.42Å; C145-K148 PolarHBondContact O-N 3.18Å; L146-K148 VanDerWaalsContact C-N 3.34Å; L146-K148 PolarHBondContact O-N 3.46Å; K148-K151 PolarHBondContact O-N 3.36Å; K148-A152 VanDerWaalsContact O-CB 3.29Å; K148-A152 WeakPolarHBondContact O-CB 3.29Å; K148-A152 PolarHBondContact O-N 3.42Å |
| 149 | A | 87.6 | Confident | 83.5 | Confident | 36 Ų | 36 | 85.3 Ų | 85.3 | 30% | 0.298 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.7 | -48 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | C145 L146 Q147 K151 A152 L153 L171 | C145-A149 PolarHBondContact O-N 3.23Å; L146-A149 WeakPolarHBondContact O-CB 3.35Å; L146-A149 PolarHBondContact O-N 3.19Å; L146-A149 VanDerWaalsContact O-N 3.15Å; Q147-A149 VanDerWaalsContact C-N 3.34Å; A149-K151 PolarHBondContact O-N 3.42Å; A149-A152 PolarHBondContact O-N 2.97Å; A149-L153 WeakPolarHBondContact O-CG 3.38Å; A149-L153 PolarHBondContact O-N 3.29Å; A149-L171 HydrophobicContact CB-CD2 4.26Å |
| 150 | F | 89.2 | Confident | 83.5 | Confident | 3 Ų | 3 | 89.3 Ų | 89.3 | 1% | 0.013 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 176.4 | -88.8 | -100 | 0 | 0 | 0 | 112 | L146 Q147 A152 L153 G154 L155 K156 M157 P158 I167 C170 L171 | L146-F150 HydrophobicContact CD2-CD2 3.57Å; L146-F150 HydrophobicContact CD2-CE2 3.43Å; L146-F150 VanDerWaalsContact CD2-CE2 3.43Å; L146-F150 HydrophobicContact CG-CD2 4.28Å; L146-F150 HydrophobicContact CG-CE2 4.15Å; L146-F150 WeakPolarHBondContact O-CD2 3.28Å; L146-F150 PolarHBondContact O-N 3.46Å; Q147-F150 PolarHBondContact O-N 3.48Å; F150-A152 VanDerWaalsContact C-N 3.34Å; F150-A152 PolarHBondContact O-N 3.36Å; F150-L153 CarbonylContact O-C 3.57Å; F150-L153 PolarHBondContact O-N 2.85Å; F150-G154 PolarHBondContact O-N 3.41Å; F150-L155 HydrophobicContact CD1-CB 3.48Å; F150-L155 VanDerWaalsContact CD1-CB 3.48Å; F150-L155 HydrophobicContact CD1-CD1 4.25Å; F150-L155 HydrophobicContact CE1-CB 4.05Å; F150-L155 HydrophobicContact CE1-CD1 4.21Å; F150-L155 HydrophobicContact CG-CB 4.34Å; F150-L155 PolarHBondContact O-N 2.91Å; F150-K156 WeakPolarHBondContact CD1-O 3.02Å; F150-M157 HydrophobicContact CB-CE 4.17Å; F150-M157 HydrophobicContact CD1-SD 4.22Å; F150-M157 HydrophobicContact CD2-CE 3.86Å; F150-M157 HydrophobicContact CD2-SD 3.68Å; F150-M157 HydrophobicContact CE1-SD 4.37Å; F150-M157 HydrophobicContact CE2-CE 4.48Å; F150-M157 HydrophobicContact CE2-SD 3.79Å; F150-M157 HydrophobicContact CG-CE 4.05Å; F150-M157 HydrophobicContact CG-SD 3.9Å; F150-M157 HydrophobicContact CZ-SD 4.15Å; F150-P158 HydrophobicContact CE1-CG 4.29Å; F150-P158 HydrophobicContact CZ-CG 4.31Å; F150-I167 HydrophobicContact CE2-CG2 3.82Å; F150-I167 HydrophobicContact CZ-CG2 3.91Å; F150-C170 HydrophobicContact CE1-CB 4.31Å; F150-C170 HydrophobicContact CZ-CB 4.26Å; F150-L171 HydrophobicContact CD2-CD2 3.62Å; F150-L171 HydrophobicContact CD2-CG 4.17Å; F150-L171 HydrophobicContact CE2-CD1 3.84Å; F150-L171 HydrophobicContact CE2-CD2 3.43Å; F150-L171 VanDerWaalsContact CE2-CD2 3.43Å; F150-L171 HydrophobicContact CE2-CG 3.44Å; F150-L171 VanDerWaalsContact CE2-CG 3.44Å; F150-L171 HydrophobicContact CG-CD2 4.37Å; F150-L171 HydrophobicContact CZ-CD2 4Å; F150-L171 HydrophobicContact CZ-CG 3.8Å |
| 151 | K | 89.2 | Confident | 83.3 | Confident | 179 Ų | 179 | 91.5 Ų | 91.5 | 78% | 0.778 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.1 | -41.7 | 176 | -174.7 | 177.1 | -179.8 | 178.2 | 0 | 112 | Q147 K148 A149 L153 G154 | Q147-K151 VanDerWaalsContact O-CB 3.28Å; Q147-K151 WeakPolarHBondContact O-CB 3.46Å; Q147-K151 PolarHBondContact O-N 2.89Å; K148-K151 PolarHBondContact O-N 3.36Å; A149-K151 PolarHBondContact O-N 3.42Å; K151-L153 VanDerWaalsContact C-N 3.32Å; K151-L153 PolarHBondContact O-N 3.19Å; K151-G154 PolarHBondContact O-N 3.49Å |
| 152 | A | 89.4 | Confident | 83.4 | Confident | 90 Ų | 90 | 86.4 Ų | 86.4 | 74% | 0.744 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.6 | -34.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K148 A149 F150 G154 | K148-A152 VanDerWaalsContact O-CB 3.29Å; K148-A152 WeakPolarHBondContact O-CB 3.29Å; K148-A152 PolarHBondContact O-N 3.42Å; A149-A152 PolarHBondContact O-N 2.97Å; F150-A152 VanDerWaalsContact C-N 3.34Å; F150-A152 PolarHBondContact O-N 3.36Å; A152-G154 VanDerWaalsContact C-N 3.33Å |
| 153 | L | 88.7 | Confident | 83.4 | Confident | 39 Ų | 39 | 84.3 Ų | 84.3 | 20% | 0.204 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -82.9 | -6.4 | 176.5 | -66 | 170.2 | 0 | 0 | 0 | 113.6 | A149 F150 K151 L155 L171 I175 | A149-L153 WeakPolarHBondContact O-CG 3.38Å; A149-L153 PolarHBondContact O-N 3.29Å; F150-L153 CarbonylContact O-C 3.57Å; F150-L153 PolarHBondContact O-N 2.85Å; K151-L153 VanDerWaalsContact C-N 3.32Å; K151-L153 PolarHBondContact O-N 3.19Å; L153-L155 HydrophobicContact CB-CD1 4.06Å; L153-L155 HydrophobicContact CB-CG 3.89Å; L153-L155 HydrophobicContact CD1-CD1 4.15Å; L153-L155 PolarHBondContact O-N 3.42Å; L153-L171 HydrophobicContact CD1-CD2 3.76Å; L153-I175 HydrophobicContact CD1-CG1 3.88Å; L153-I175 HydrophobicContact CD2-CG1 4.15Å |
| 154 | G | 86.7 | Confident | 83.5 | Confident | 68 Ų | 68 | 83.4 Ų | 83.4 | 70% | 0.701 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 22.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F150 K151 A152 | F150-G154 PolarHBondContact O-N 3.41Å; K151-G154 PolarHBondContact O-N 3.49Å; A152-G154 VanDerWaalsContact C-N 3.33Å |
| 155 | L | 87.7 | Confident | 83.7 | Confident | 61 Ų | 61 | 85.7 Ų | 85.7 | 32% | 0.319 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -92.3 | 149.2 | 179.1 | -63.3 | 179.6 | 0 | 0 | 0 | 110.9 | F150 L153 | F150-L155 HydrophobicContact CD1-CB 3.48Å; F150-L155 VanDerWaalsContact CD1-CB 3.48Å; F150-L155 HydrophobicContact CD1-CD1 4.25Å; F150-L155 HydrophobicContact CE1-CB 4.05Å; F150-L155 HydrophobicContact CE1-CD1 4.21Å; F150-L155 HydrophobicContact CG-CB 4.34Å; F150-L155 PolarHBondContact O-N 2.91Å; L153-L155 HydrophobicContact CB-CD1 4.06Å; L153-L155 HydrophobicContact CB-CG 3.89Å; L153-L155 HydrophobicContact CD1-CD1 4.15Å; L153-L155 PolarHBondContact O-N 3.42Å |
| 156 | K | 85.1 | Confident | 83.9 | Confident | 199 Ų | 199 | 85.2 Ų | 85.2 | 87% | 0.865 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -82.7 | 134.4 | 168.7 | -65.9 | -176.7 | -179.7 | -179.8 | 0 | 109.2 | F150 | F150-K156 WeakPolarHBondContact CD1-O 3.02Š|
| 157 | M | 82.2 | Confident | 84 | Confident | 71 Ų | 71 | 85.4 Ų | 85.4 | 35% | 0.35 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -62 | 131.2 | 174.7 | -167.8 | 64.5 | 81 | 0 | 0 | 109.6 | L146 Q147 F150 | L146-M157 HydrophobicContact CD2-CE 3.23Å; L146-M157 HydrophobicContact CD2-SD 3.2Å; L146-M157 WeakPolarHBondContact CD2-SD 3.41Å; L146-M157 HydrophobicContact CG-CE 4.47Å; Q147-M157 VanDerWaalsContact CA-CE 3.45Å; Q147-M157 HydrophobicContact CB-CE 4.07Å; Q147-M157 HydrophobicContact CG-CE 3.51Å; F150-M157 HydrophobicContact CB-CE 4.17Å; F150-M157 HydrophobicContact CD1-SD 4.22Å; F150-M157 HydrophobicContact CD2-CE 3.86Å; F150-M157 HydrophobicContact CD2-SD 3.68Å; F150-M157 HydrophobicContact CE1-SD 4.37Å; F150-M157 HydrophobicContact CE2-CE 4.48Å; F150-M157 HydrophobicContact CE2-SD 3.79Å; F150-M157 HydrophobicContact CG-CE 4.05Å; F150-M157 HydrophobicContact CG-SD 3.9Å; F150-M157 HydrophobicContact CZ-SD 4.15Å |
| 158 | P | 81.6 | Confident | 84.2 | Confident | 20 Ų | 20 | 86.9 Ų | 86.9 | 13% | 0.13 | 49% | 0.489 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 154.4 | 168.8 | -23.6 | 35.5 | 0 | 0 | 0 | 111.3 | F150 S162 I167 | F150-P158 HydrophobicContact CE1-CG 4.29Å; F150-P158 HydrophobicContact CZ-CG 4.31Å; P158-S162 VanDerWaalsContact CB-OG 3.24Å; P158-S162 WeakPolarHBondContact CB-OG 3.42Å; P158-I167 HydrophobicContact CB-CG1 4.43Å; P158-I167 HydrophobicContact CG-CG1 4.21Å |
| 159 | P | 78.6 | Confident | 84.4 | Confident | 97 Ų | 97 | 83.7 Ų | 83.7 | 63% | 0.63 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 151.5 | 174.3 | -23.1 | 32.2 | 0 | 0 | 0 | 112.4 | D161 S162 | P159-D161 PolarHBondContact O-N 3.08Å; P159-D161 VanDerWaalsContact O-N 3.08Å; P159-S162 WeakPolarHBondContact CD-OG 3.42Å; P159-S162 WeakPolarHBondContact O-CB 3.16Å; P159-S162 PolarHBondContact O-N 2.71Å; P159-S162 PolarHBondContact O-OG 2.73Å |
| 160 | D | 70.2 | Confident | 84.5 | Confident | 164 Ų | 164 | 84.3 Ų | 84.3 | 88% | 0.877 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -25.8 | -176.2 | -62.8 | -28.2 | 0 | 0 | 0 | 113.4 | S162 | D160-S162 PolarHBondContact O-N 3.27Š|
| 161 | D | 71.9 | Confident | 84.5 | Confident | 145 Ų | 145 | 85.3 Ų | 85.3 | 78% | 0.775 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | 3.9 | 175.4 | -65.6 | -34.1 | 0 | 0 | 0 | 114.2 | P159 | P159-D161 PolarHBondContact O-N 3.08Å; P159-D161 VanDerWaalsContact O-N 3.08Å |
| 162 | S | 78.1 | Confident | 84.6 | Confident | 33 Ų | 33 | 83.5 Ų | 83.5 | 23% | 0.231 | 49% | 0.486 | C | S | . | . | S | Bend | trans | -73.5 | 135.5 | -177.4 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | P158 P159 D160 S164 | P158-S162 VanDerWaalsContact CB-OG 3.24Å; P158-S162 WeakPolarHBondContact CB-OG 3.42Å; P159-S162 WeakPolarHBondContact CD-OG 3.42Å; P159-S162 WeakPolarHBondContact O-CB 3.16Å; P159-S162 PolarHBondContact O-N 2.71Å; P159-S162 PolarHBondContact O-OG 2.73Å; D160-S162 PolarHBondContact O-N 3.27Å; S162-S164 PolarHBondContact O-N 2.95Å |
| 163 | A | 81.7 | Confident | 84.7 | Confident | 56 Ų | 56 | 85.9 Ų | 85.9 | 46% | 0.463 | 48% | 0.479 | S | S | . | . | trans | -58.3 | 139.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | T165 V166 I167 | A163-T165 PolarHBondContact O-N 3.46Å; A163-T165 VanDerWaalsContact O-N 3.13Å; A163-V166 HydrophobicContact CB-CG2 4.29Å; A163-V166 WeakPolarHBondContact O-CB 3.38Å; A163-V166 PolarHBondContact O-N 2.94Å; A163-I167 PolarHBondContact O-N 3.48Å | ||
| 164 | S | 81.8 | Confident | 84.9 | Confident | 73 Ų | 73 | 84.3 Ų | 84.3 | 51% | 0.51 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -54.4 | -35.5 | -179.6 | 58.5 | 0 | 0 | 0 | 0 | 112.8 | S162 V166 I167 Y168 | S162-S164 PolarHBondContact O-N 2.95Å; S164-V166 VanDerWaalsContact C-N 3.3Å; S164-V166 PolarHBondContact O-N 3.48Å; S164-I167 WeakPolarHBondContact O-CB 3.45Å; S164-I167 PolarHBondContact O-N 3.35Å; S164-Y168 WeakPolarHBondContact O-CD2 3.29Å; S164-Y168 PolarHBondContact O-N 2.85Å |
| 165 | T | 87.3 | Confident | 85.2 | Confident | 92 Ų | 92 | 84.9 Ų | 84.9 | 56% | 0.564 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -60.3 | -36.1 | 175.9 | 54.4 | 0 | 0 | 0 | 0 | 113.1 | A163 S169 | A163-T165 PolarHBondContact O-N 3.46Å; A163-T165 VanDerWaalsContact O-N 3.13Å; T165-S169 VanDerWaalsContact O-CB 3.29Å; T165-S169 WeakPolarHBondContact O-CB 3.49Å; T165-S169 PolarHBondContact O-N 2.94Å; T165-S169 PolarHBondContact O-OG 3.02Å |
| 166 | V | 88.2 | Confident | 85.3 | Confident | 71 Ų | 71 | 85.4 Ų | 85.4 | 43% | 0.43 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.6 | -43.6 | 176.2 | 178.9 | 0 | 0 | 0 | 0 | 109.8 | A163 S164 Y168 S169 C170 | A163-V166 HydrophobicContact CB-CG2 4.29Å; A163-V166 WeakPolarHBondContact O-CB 3.38Å; A163-V166 PolarHBondContact O-N 2.94Å; S164-V166 VanDerWaalsContact C-N 3.3Å; S164-V166 PolarHBondContact O-N 3.48Å; V166-Y168 PolarHBondContact O-N 2.83Å; V166-S169 PolarHBondContact O-N 3.34Å; V166-C170 WeakPolarHBondContact O-CB 3.47Å; V166-C170 PolarHBondContact O-N 3.31Å; V166-C170 PolarHBondContact O-SG 2.96Å |
| 167 | I | 87.3 | Confident | 85.7 | Confident | 34 Ų | 34 | 79.6 Ų | 79.6 | 17% | 0.174 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -60 | -48.9 | 177.9 | -56.5 | 175.1 | 0 | 0 | 0 | 110.4 | L146 F150 P158 A163 S164 S169 C170 L171 | L146-I167 HydrophobicContact CD1-CG2 3.93Å; L146-I167 HydrophobicContact CD2-CG2 3.93Å; L146-I167 HydrophobicContact CG-CG2 4.4Å; F150-I167 HydrophobicContact CE2-CG2 3.82Å; F150-I167 HydrophobicContact CZ-CG2 3.91Å; P158-I167 HydrophobicContact CB-CG1 4.43Å; P158-I167 HydrophobicContact CG-CG1 4.21Å; A163-I167 PolarHBondContact O-N 3.48Å; S164-I167 WeakPolarHBondContact O-CB 3.45Å; S164-I167 PolarHBondContact O-N 3.35Å; I167-S169 PolarHBondContact O-N 2.78Å; I167-C170 PolarHBondContact O-N 2.68Å; I167-L171 HydrophobicContact CG2-CD1 4.48Å; I167-L171 PolarHBondContact O-N 3.07Å |
| 168 | Y | 88.3 | Confident | 86.1 | Confident | 152 Ų | 152 | 77.5 Ų | 77.5 | 60% | 0.596 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63.8 | -39.8 | 177.3 | -72.4 | -62.9 | 0 | 0 | 0 | 112.5 | S164 V166 L171 Q172 | S164-Y168 WeakPolarHBondContact O-CD2 3.29Å; S164-Y168 PolarHBondContact O-N 2.85Å; V166-Y168 PolarHBondContact O-N 2.83Å; Y168-L171 PolarHBondContact O-N 3.21Å; Y168-Q172 WeakPolarHBondContact O-CB 3.38Å; Y168-Q172 PolarHBondContact O-N 2.98Å |
| 169 | S | 90.7 | Very high | 86.4 | Confident | 74 Ų | 74 | 80.3 Ų | 80.3 | 52% | 0.517 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 177.1 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | T165 V166 I167 Q172 K173 | T165-S169 VanDerWaalsContact O-CB 3.29Å; T165-S169 WeakPolarHBondContact O-CB 3.49Å; T165-S169 PolarHBondContact O-N 2.94Å; T165-S169 PolarHBondContact O-OG 3.02Å; V166-S169 PolarHBondContact O-N 3.34Å; I167-S169 PolarHBondContact O-N 2.78Å; S169-Q172 PolarHBondContact O-N 3.4Å; S169-K173 WeakPolarHBondContact O-CB 3.28Å; S169-K173 PolarHBondContact O-N 3.48Å |
| 170 | C | 89.8 | Confident | 86.9 | Confident | 50 Ų | 50 | 80.1 Ų | 80.1 | 34% | 0.338 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 173.6 | -74.7 | 0 | 0 | 0 | 0 | 111.8 | F150 V166 I167 K173 G174 | F150-C170 HydrophobicContact CE1-CB 4.31Å; F150-C170 HydrophobicContact CZ-CB 4.26Å; V166-C170 WeakPolarHBondContact O-CB 3.47Å; V166-C170 PolarHBondContact O-N 3.31Å; V166-C170 PolarHBondContact O-SG 2.96Å; I167-C170 PolarHBondContact O-N 2.68Å; C170-K173 PolarHBondContact O-N 2.89Å; C170-G174 PolarHBondContact O-N 3.34Å |
| 171 | L | 90.6 | Very high | 88 | Confident | 23 Ų | 23 | 81.2 Ų | 81.2 | 12% | 0.12 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -61.6 | -49.7 | 175.5 | -78.1 | 172.6 | 0 | 0 | 0 | 111.6 | A149 F150 L153 I167 Y168 K173 G174 I175 | A149-L171 HydrophobicContact CB-CD2 4.26Å; F150-L171 HydrophobicContact CD2-CD2 3.62Å; F150-L171 HydrophobicContact CD2-CG 4.17Å; F150-L171 HydrophobicContact CE2-CD1 3.84Å; F150-L171 HydrophobicContact CE2-CD2 3.43Å; F150-L171 VanDerWaalsContact CE2-CD2 3.43Å; F150-L171 HydrophobicContact CE2-CG 3.44Å; F150-L171 VanDerWaalsContact CE2-CG 3.44Å; F150-L171 HydrophobicContact CG-CD2 4.37Å; F150-L171 HydrophobicContact CZ-CD2 4Å; F150-L171 HydrophobicContact CZ-CG 3.8Å; L153-L171 HydrophobicContact CD1-CD2 3.76Å; I167-L171 HydrophobicContact CG2-CD1 4.48Å; I167-L171 PolarHBondContact O-N 3.07Å; Y168-L171 PolarHBondContact O-N 3.21Å; L171-K173 VanDerWaalsContact C-N 3.29Å; L171-K173 PolarHBondContact O-N 3.44Å; L171-G174 PolarHBondContact O-N 3.42Å; L171-I175 WeakPolarHBondContact O-CB 3.2Å; L171-I175 WeakPolarHBondContact O-CD1 3.31Å; L171-I175 WeakPolarHBondContact O-CG1 3.35Å; L171-I175 PolarHBondContact O-N 3.3Å |
| 172 | Q | 91.6 | Very high | 88.8 | Confident | 142 Ų | 142 | 76.6 Ų | 76.6 | 66% | 0.664 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -57.8 | -43.8 | 179.3 | -178.1 | 178.5 | -21.8 | 0 | 0 | 111.4 | Y168 S169 I175 S176 | Y168-Q172 WeakPolarHBondContact O-CB 3.38Å; Y168-Q172 PolarHBondContact O-N 2.98Å; S169-Q172 PolarHBondContact O-N 3.4Å; Q172-I175 PolarHBondContact O-N 2.91Å; Q172-S176 WeakPolarHBondContact O-CB 3.49Å; Q172-S176 PolarHBondContact O-N 3.19Å |
| 173 | K | 91.6 | Very high | 89.3 | Confident | 140 Ų | 140 | 79.1 Ų | 79.1 | 61% | 0.609 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62.5 | -50.4 | 175.7 | -175.6 | 177.1 | 178.9 | 178.9 | 0 | 111.6 | S169 C170 L171 I175 S176 D177 | S169-K173 WeakPolarHBondContact O-CB 3.28Å; S169-K173 PolarHBondContact O-N 3.48Å; C170-K173 PolarHBondContact O-N 2.89Å; L171-K173 VanDerWaalsContact C-N 3.29Å; L171-K173 PolarHBondContact O-N 3.44Å; K173-I175 VanDerWaalsContact C-N 3.29Å; K173-I175 PolarHBondContact O-N 3.31Å; K173-S176 PolarHBondContact O-N 3.49Å; K173-S176 VanDerWaalsContact O-N 3.16Å; K173-D177 WeakPolarHBondContact O-CB 3.44Å; K173-D177 VanDerWaalsContact O-CG 3.26Å; K173-D177 PolarHBondContact O-N 2.94Å |
| 174 | G | 92.8 | Very high | 89.3 | Confident | 5 Ų | 5 | 82.5 Ų | 82.5 | 5% | 0.052 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -62.8 | -34.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | C170 L171 S178 | C170-G174 PolarHBondContact O-N 3.34Å; L171-G174 PolarHBondContact O-N 3.42Å; G174-S178 VanDerWaalsContact O-CB 3.28Å; G174-S178 WeakPolarHBondContact O-CB 3.46Å; G174-S178 PolarHBondContact O-N 3.25Å; G174-S178 PolarHBondContact O-OG 2.85Å |
| 175 | I | 91.8 | Very high | 89.2 | Confident | 80 Ų | 80 | 84 Ų | 84 | 41% | 0.41 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67 | -47.6 | 173.4 | -68.2 | 164.5 | 0 | 0 | 0 | 109.8 | L153 L171 Q172 K173 D177 S178 L179 | L153-I175 HydrophobicContact CD1-CG1 3.88Å; L153-I175 HydrophobicContact CD2-CG1 4.15Å; L171-I175 WeakPolarHBondContact O-CB 3.2Å; L171-I175 WeakPolarHBondContact O-CD1 3.31Å; L171-I175 WeakPolarHBondContact O-CG1 3.35Å; L171-I175 PolarHBondContact O-N 3.3Å; Q172-I175 PolarHBondContact O-N 2.91Å; K173-I175 VanDerWaalsContact C-N 3.29Å; K173-I175 PolarHBondContact O-N 3.31Å; I175-D177 PolarHBondContact O-N 3.47Å; I175-S178 PolarHBondContact O-N 3.21Å; I175-L179 HydrophobicContact CG2-CD1 3.76Å; I175-L179 HydrophobicContact CG2-CG 4.28Å; I175-L179 WeakPolarHBondContact O-CB 3.26Å; I175-L179 VanDerWaalsContact O-CG 3.3Å; I175-L179 WeakPolarHBondContact O-CG 3.26Å; I175-L179 PolarHBondContact O-N 2.92Å |
| 176 | S | 90.8 | Very high | 89 | Confident | 72 Ų | 72 | 85 Ų | 85 | 50% | 0.503 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.8 | -45 | 177.3 | -172.5 | 0 | 0 | 0 | 0 | 112.2 | Q172 K173 S178 L179 S180 | Q172-S176 WeakPolarHBondContact O-CB 3.49Å; Q172-S176 PolarHBondContact O-N 3.19Å; K173-S176 PolarHBondContact O-N 3.49Å; K173-S176 VanDerWaalsContact O-N 3.16Å; S176-S178 VanDerWaalsContact C-N 3.28Å; S176-S178 PolarHBondContact O-N 3.15Å; S176-L179 PolarHBondContact O-N 2.89Å; S176-S180 PolarHBondContact O-N 3.45Å |
| 177 | D | 92.2 | Very high | 88.7 | Confident | 78 Ų | 78 | 86.4 Ų | 86.4 | 42% | 0.417 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.5 | -30.7 | 177.6 | -67.6 | -15.1 | 0 | 0 | 0 | 112 | K173 I175 S180 R181 | K173-D177 WeakPolarHBondContact O-CB 3.44Å; K173-D177 VanDerWaalsContact O-CG 3.26Å; K173-D177 PolarHBondContact O-N 2.94Å; I175-D177 PolarHBondContact O-N 3.47Å; D177-S180 PolarHBondContact O-OG 3.01Å; D177-R181 PolarHBondContact O-NE 3Å |
| 178 | S | 91.1 | Very high | 88.5 | Confident | 27 Ų | 27 | 85.5 Ų | 85.5 | 19% | 0.189 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -76.9 | -40.5 | 175.5 | -62.8 | 0 | 0 | 0 | 0 | 112 | G174 I175 S176 S180 R181 C182 | G174-S178 VanDerWaalsContact O-CB 3.28Å; G174-S178 WeakPolarHBondContact O-CB 3.46Å; G174-S178 PolarHBondContact O-N 3.25Å; G174-S178 PolarHBondContact O-OG 2.85Å; I175-S178 PolarHBondContact O-N 3.21Å; S176-S178 VanDerWaalsContact C-N 3.28Å; S176-S178 PolarHBondContact O-N 3.15Å; S178-S180 VanDerWaalsContact C-N 3.32Å; S178-S180 PolarHBondContact O-N 3.48Å; S178-R181 PolarHBondContact O-N 3.39Å; S178-R181 PolarHBondContact OG-NH2 3.48Å; S178-C182 PolarHBondContact O-SG 3.13Å |
| 179 | L | 88.2 | Confident | 88.4 | Confident | 78 Ų | 78 | 85 Ų | 85 | 41% | 0.408 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.3 | -34.1 | 177.2 | -74.9 | 172.2 | 0 | 0 | 0 | 112.5 | I175 S176 R181 C182 M187 | I175-L179 HydrophobicContact CG2-CD1 3.76Å; I175-L179 HydrophobicContact CG2-CG 4.28Å; I175-L179 WeakPolarHBondContact O-CB 3.26Å; I175-L179 VanDerWaalsContact O-CG 3.3Å; I175-L179 WeakPolarHBondContact O-CG 3.26Å; I175-L179 PolarHBondContact O-N 2.92Å; S176-L179 PolarHBondContact O-N 2.89Å; L179-R181 PolarHBondContact O-N 3.49Å; L179-C182 PolarHBondContact O-N 3.23Å; L179-C182 VanDerWaalsContact O-N 3.09Å; L179-M187 HydrophobicContact CD2-CG 3.95Å; L179-M187 HydrophobicContact CD2-SD 3.73Å |
| 180 | S | 90 | Very high | 88.2 | Confident | 94 Ų | 94 | 83.7 Ų | 83.7 | 66% | 0.657 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -20.9 | 176.9 | 69.2 | 0 | 0 | 0 | 0 | 113.5 | S176 D177 S178 | S176-S180 PolarHBondContact O-N 3.45Å; D177-S180 PolarHBondContact O-OG 3.01Å; S178-S180 VanDerWaalsContact C-N 3.32Å; S178-S180 PolarHBondContact O-N 3.48Å |
| 181 | R | 92.2 | Very high | 87.8 | Confident | 186 Ų | 186 | 83.3 Ų | 83.3 | 70% | 0.702 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -11.7 | 173.9 | -65 | -178.5 | -68.4 | -147.7 | -0.9 | 113.3 | D177 S178 L179 | D177-R181 PolarHBondContact O-NE 3Å; S178-R181 PolarHBondContact O-N 3.39Å; S178-R181 PolarHBondContact OG-NH2 3.48Å; L179-R181 PolarHBondContact O-N 3.49Å |
| 182 | C | 89 | Confident | 87.5 | Confident | 48 Ų | 48 | 83.5 Ų | 83.5 | 32% | 0.324 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -92.7 | 156.2 | -179.9 | -65.3 | 0 | 0 | 0 | 0 | 111.3 | S178 L179 H186 | S178-C182 PolarHBondContact O-SG 3.13Å; L179-C182 PolarHBondContact O-N 3.23Å; L179-C182 VanDerWaalsContact O-N 3.09Å; C182-H186 HydrophobicContact CB-CB 3.75Å |
| 183 | P | 88.1 | Confident | 87 | Confident | 86 Ų | 86 | 81.1 Ų | 81.1 | 56% | 0.558 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 155.6 | 171.3 | -25.2 | 34.6 | 0 | 0 | 0 | 112.9 | N185 H186 | P183-N185 PolarHBondContact O-N 3.49Å; P183-H186 VanDerWaalsContact O-CB 3.24Å; P183-H186 WeakPolarHBondContact O-CB 3.23Å; P183-H186 PolarHBondContact O-N 3.37Å; P183-H186 VanDerWaalsContact O-N 3.14Å |
| 184 | P | 82.7 | Confident | 86.2 | Confident | 128 Ų | 128 | 79.3 Ų | 79.3 | 83% | 0.831 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 140.4 | 174.6 | 25.5 | -34 | 0 | 0 | 0 | 110.4 | H186 | P184-H186 PolarHBondContact O-N 2.93Š|
| 185 | N | 80 | Confident | 85.7 | Confident | 103 Ų | 103 | 84.9 Ų | 84.9 | 55% | 0.551 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 24.8 | -177.5 | -157.3 | 37.8 | 0 | 0 | 0 | 114.8 | P183 M187 G188 | P183-N185 PolarHBondContact O-N 3.49Å; N185-M187 VanDerWaalsContact C-N 3.31Å; N185-M187 PolarHBondContact O-N 2.87Å; N185-G188 PolarHBondContact O-N 2.98Å; N185-G188 VanDerWaalsContact OD1-CA 3.25Å; N185-G188 WeakPolarHBondContact OD1-CA 3.39Å |
| 186 | H | 82.3 | Confident | 85.4 | Confident | 114 Ų | 114 | 84.8 Ų | 84.8 | 53% | 0.528 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -43.7 | -180 | -177.1 | 66.9 | 0 | 0 | 0 | 113.3 | C182 P183 P184 N275 | C182-H186 HydrophobicContact CB-CB 3.75Å; P183-H186 VanDerWaalsContact O-CB 3.24Å; P183-H186 WeakPolarHBondContact O-CB 3.23Å; P183-H186 PolarHBondContact O-N 3.37Å; P183-H186 VanDerWaalsContact O-N 3.14Å; P184-H186 PolarHBondContact O-N 2.93Å; H186-N275 PolarHBondContact O-ND2 3.32Å |
| 187 | M | 81.3 | Confident | 85.2 | Confident | 100 Ų | 100 | 82.6 Ų | 82.6 | 49% | 0.493 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -11.1 | 177.7 | -70 | -163.9 | 76.4 | 0 | 0 | 114.1 | L179 N185 R273 N275 | L179-M187 HydrophobicContact CD2-CG 3.95Å; L179-M187 HydrophobicContact CD2-SD 3.73Å; N185-M187 VanDerWaalsContact C-N 3.31Å; N185-M187 PolarHBondContact O-N 2.87Å; M187-R273 WeakPolarHBondContact O-CB 3.33Å; M187-R273 VanDerWaalsContact O-CG 3.28Å; M187-R273 WeakPolarHBondContact O-CG 3.35Å; M187-N275 PolarHBondContact O-ND2 3.36Å; M187-N275 PolarHBondContact O-OD1 3.33Å; M187-N275 VanDerWaalsContact O-OD1 3.06Å |
| 188 | G | 84.2 | Confident | 85.2 | Confident | 15 Ų | 15 | 81.5 Ų | 81.5 | 16% | 0.155 | 47% | 0.471 | C | S | . | . | trans | 79 | 177.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N185 D274 N275 | N185-G188 PolarHBondContact O-N 2.98Å; N185-G188 VanDerWaalsContact OD1-CA 3.25Å; N185-G188 WeakPolarHBondContact OD1-CA 3.39Å; G188-D274 VanDerWaalsContact CA-OD1 3.25Å; G188-D274 WeakPolarHBondContact CA-OD1 3.5Å; G188-N275 PolarHBondContact N-ND2 3.18Å | ||
| 189 | K | 85.4 | Confident | 85.2 | Confident | 143 Ų | 143 | 86.8 Ų | 86.8 | 62% | 0.622 | 50% | 0.497 | S | S | * | . | trans | -92.5 | 146.7 | 178.7 | -62.2 | 178.7 | -179.7 | 176.7 | 0 | 111.1 | I191 R273 D274 | K189-I191 PolarHBondContact O-N 3.42Å; K189-R273 VanDerWaalsContact O-CA 3.28Å; K189-R273 WeakPolarHBondContact O-CA 3.22Å; K189-D274 WeakPolarHBondContact CB-OD2 3.3Å; K189-D274 PolarHBondContact N-OD1 3.31Å; K189-D274 PolarHBondContact O-N 3.11Å | ||
| 190 | S | 85.4 | Confident | 85.4 | Confident | 46 Ų | 46 | 92.3 Ų | 92.3 | 32% | 0.322 | 51% | 0.512 | S | S | . | . | B | Isolated β-bridge | trans | -65.3 | 129.8 | 172.2 | -158.2 | 0 | 0 | 0 | 0 | 110.3 | I192 R273 | S190-I192 WeakPolarHBondContact CB-O 3.28Å; S190-I192 PolarHBondContact OG-O 2.93Å; S190-R273 PolarHBondContact OG-NH1 3.47Å |
| 191 | I | 83.1 | Confident | 85.5 | Confident | 42 Ų | 42 | 91.6 Ų | 91.6 | 22% | 0.215 | 50% | 0.499 | C | S | . | . | S | Bend | trans | -76.6 | -39.5 | 174.1 | -67 | 144.3 | 0 | 0 | 0 | 110.5 | K189 V272 R273 D274 I277 I322 | K189-I191 PolarHBondContact O-N 3.42Å; I191-V272 HydrophobicContact CD1-CB 3.98Å; I191-V272 HydrophobicContact CD1-CG1 3.37Å; I191-V272 PolarHBondContact N-O 2.98Å; I191-R273 WeakPolarHBondContact CD1-O 3.46Å; I191-D274 HydrophobicContact CG1-CB 4.44Å; I191-I277 HydrophobicContact CD1-CD1 3.29Å; I191-I277 HydrophobicContact CD1-CG1 3.97Å; I191-I277 HydrophobicContact CG1-CD1 4.15Å; I191-I322 HydrophobicContact CG2-CD1 4Å; I191-I322 HydrophobicContact CG2-CG1 4.32Å |
| 192 | I | 83.5 | Confident | 85.5 | Confident | 27 Ų | 27 | 87.1 Ų | 87.1 | 14% | 0.138 | 48% | 0.482 | C | S | . | . | S | Bend | trans | -96.6 | 119.7 | 176 | -56.4 | 175.8 | 0 | 0 | 0 | 107.3 | S190 L194 I197 I205 V269 L270 | S190-I192 WeakPolarHBondContact CB-O 3.28Å; S190-I192 PolarHBondContact OG-O 2.93Å; I192-L194 PolarHBondContact O-N 3.24Å; I192-I197 HydrophobicContact CG2-CD1 4.34Å; I192-I205 HydrophobicContact CD1-CG1 4.38Å; I192-I205 HydrophobicContact CG2-CD1 3.9Å; I192-V269 HydrophobicContact CD1-CG1 3.75Å; I192-L270 HydrophobicContact CG2-CD2 4.27Å |
| 193 | P | 80.7 | Confident | 85.7 | Confident | 91 Ų | 91 | 88.4 Ų | 88.4 | 59% | 0.591 | 49% | 0.492 | S | S | * | . | trans | -58.6 | 125.4 | 171.4 | -22.4 | 33.5 | 0 | 0 | 0 | 109.7 | T195 I197 | P193-T195 VanDerWaalsContact C-N 3.32Å; P193-I197 VanDerWaalsContact O-CD1 3.29Å; P193-I197 WeakPolarHBondContact O-CD1 3.3Å; P193-I197 WeakPolarHBondContact O-CG1 3.39Å | ||
| 194 | L | 75.7 | Confident | 85.9 | Confident | 102 Ų | 102 | 87 Ų | 87 | 53% | 0.534 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -79.6 | -17.9 | -178.7 | -67 | 170.2 | 0 | 0 | 0 | 112.6 | I192 L270 | I192-L194 PolarHBondContact O-N 3.24Å; L194-L270 HydrophobicContact CD2-CB 4.26Å; L194-L270 HydrophobicContact CD2-CD2 4.36Å |
| 195 | T | 82.9 | Confident | 86.2 | Confident | 123 Ų | 123 | 81.3 Ų | 81.3 | 76% | 0.755 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -104.9 | 139.1 | -179.9 | 51.8 | 0 | 0 | 0 | 0 | 110.6 | P193 | P193-T195 VanDerWaalsContact C-N 3.32Š|
| 196 | G | 84.7 | Confident | 86.8 | Confident | 77 Ų | 77 | 80.6 Ų | 80.6 | 79% | 0.794 | 44% | 0.435 | S | S | * | . | S | Bend | trans | 76.3 | 22.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | S198 | G196-S198 PolarHBondContact O-N 2.93Š|
| 197 | I | 87.3 | Confident | 87.3 | Confident | 26 Ų | 26 | 81.5 Ų | 81.5 | 13% | 0.133 | 43% | 0.434 | C | S | . | . | trans | -68.8 | 118 | 176.3 | -54.2 | 175.1 | 0 | 0 | 0 | 109.4 | I192 P193 Q201 W202 I205 | I192-I197 HydrophobicContact CG2-CD1 4.34Å; P193-I197 VanDerWaalsContact O-CD1 3.29Å; P193-I197 WeakPolarHBondContact O-CD1 3.3Å; P193-I197 WeakPolarHBondContact O-CG1 3.39Å; I197-Q201 HydrophobicContact CG2-CB 3.57Å; I197-W202 HydrophobicContact CB-CD2 4.48Å; I197-W202 HydrophobicContact CB-CZ2 4.34Å; I197-W202 HydrophobicContact CD1-CH2 4.06Å; I197-W202 HydrophobicContact CD1-CZ2 3.72Å; I197-W202 HydrophobicContact CG2-CB 4.44Å; I197-W202 VanDerWaalsContact CG2-CD1 3.49Å; I197-W202 HydrophobicContact CG2-CD2 3.82Å; I197-W202 HydrophobicContact CG2-CG 3.68Å; I197-W202 HydrophobicContact CG2-CZ2 4.48Å; I197-W202 PolarHBondContact O-NE1 3.01Å; I197-I205 HydrophobicContact CD1-CD1 4.15Å; I197-I205 HydrophobicContact CG2-CD1 4.06Å | ||
| 198 | S | 90.9 | Very high | 87.6 | Confident | 56 Ų | 56 | 77.4 Ų | 77.4 | 39% | 0.392 | 41% | 0.414 | S | S | . | . | trans | -72.3 | 159.6 | 174.3 | 62.5 | 0 | 0 | 0 | 0 | 112.6 | G196 R200 Q201 W202 | G196-S198 PolarHBondContact O-N 2.93Å; S198-R200 PolarHBondContact O-N 3.34Å; S198-R200 VanDerWaalsContact O-N 3.16Å; S198-Q201 WeakPolarHBondContact O-CA 3.13Å; S198-Q201 WeakPolarHBondContact O-CB 3.24Å; S198-Q201 PolarHBondContact O-N 3.12Å; S198-Q201 WeakPolarHBondContact OG-CG 3.41Å; S198-Q201 PolarHBondContact OG-N 3.13Å; S198-Q201 PolarHBondContact OG-OE1 2.95Å; S198-W202 PolarHBondContact O-N 3.11Å | ||
| 199 | D | 91.9 | Very high | 87.9 | Confident | 138 Ų | 138 | 76.9 Ų | 76.9 | 74% | 0.738 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -56.4 | -35 | 177.9 | -60.5 | -34.4 | 0 | 0 | 0 | 113 | W202 S203 | D199-W202 PolarHBondContact O-N 2.93Å; D199-S203 WeakPolarHBondContact O-CB 3.34Å; D199-S203 PolarHBondContact O-N 2.95Å; D199-S203 PolarHBondContact O-OG 2.89Å |
| 200 | R | 92.9 | Very high | 88.1 | Confident | 193 Ų | 193 | 72.6 Ų | 72.6 | 73% | 0.728 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -64.9 | -42.8 | 174.6 | -175.2 | 178.6 | 179.2 | -177.8 | 0.1 | 111.5 | S198 S203 Q204 | S198-R200 PolarHBondContact O-N 3.34Å; S198-R200 VanDerWaalsContact O-N 3.16Å; R200-S203 WeakPolarHBondContact O-CB 3.45Å; R200-S203 PolarHBondContact O-N 2.87Å; R200-Q204 WeakPolarHBondContact O-CG 3.47Å; R200-Q204 PolarHBondContact O-N 3.47Å; R200-Q204 VanDerWaalsContact O-N 3.08Å |
| 201 | Q | 91 | Very high | 88.4 | Confident | 80 Ų | 80 | 73 Ų | 73 | 37% | 0.374 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.8 | -40.5 | 177.4 | -72.2 | 166 | -44.5 | 0 | 0 | 111.2 | I197 S198 S203 Q204 I205 | I197-Q201 HydrophobicContact CG2-CB 3.57Å; S198-Q201 WeakPolarHBondContact O-CA 3.13Å; S198-Q201 WeakPolarHBondContact O-CB 3.24Å; S198-Q201 PolarHBondContact O-N 3.12Å; S198-Q201 WeakPolarHBondContact OG-CG 3.41Å; S198-Q201 PolarHBondContact OG-N 3.13Å; S198-Q201 PolarHBondContact OG-OE1 2.95Å; Q201-S203 VanDerWaalsContact C-N 3.32Å; Q201-S203 PolarHBondContact O-N 3.31Å; Q201-Q204 WeakPolarHBondContact O-CB 3.47Å; Q201-Q204 PolarHBondContact O-N 3.4Å; Q201-Q204 VanDerWaalsContact O-N 3.1Å; Q201-I205 WeakPolarHBondContact O-CG1 3.31Å; Q201-I205 PolarHBondContact O-N 3.04Å |
| 202 | W | 92.5 | Very high | 88.6 | Confident | 92 Ų | 92 | 71.5 Ų | 71.5 | 35% | 0.348 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -57.2 | -45.8 | 172.3 | -84.8 | 119.5 | 0 | 0 | 0 | 112 | I197 S198 D199 Q204 I205 I206 I266 L270 | I197-W202 HydrophobicContact CB-CD2 4.48Å; I197-W202 HydrophobicContact CB-CZ2 4.34Å; I197-W202 HydrophobicContact CD1-CH2 4.06Å; I197-W202 HydrophobicContact CD1-CZ2 3.72Å; I197-W202 HydrophobicContact CG2-CB 4.44Å; I197-W202 VanDerWaalsContact CG2-CD1 3.49Å; I197-W202 HydrophobicContact CG2-CD2 3.82Å; I197-W202 HydrophobicContact CG2-CG 3.68Å; I197-W202 HydrophobicContact CG2-CZ2 4.48Å; I197-W202 PolarHBondContact O-NE1 3.01Å; S198-W202 PolarHBondContact O-N 3.11Å; D199-W202 PolarHBondContact O-N 2.93Å; W202-Q204 VanDerWaalsContact C-N 3.26Å; W202-Q204 PolarHBondContact O-N 3.08Å; W202-I205 HydrophobicContact CE3-CD1 4.26Å; W202-I205 PolarHBondContact O-N 3.21Å; W202-I205 VanDerWaalsContact O-N 3.15Å; W202-I206 VanDerWaalsContact O-CG1 3.28Å; W202-I206 WeakPolarHBondContact O-CG1 3.44Å; W202-I206 PolarHBondContact O-N 3.45Å; W202-I266 HydrophobicContact CZ3-CG2 4.32Å; W202-L270 HydrophobicContact CH2-CD1 3.88Å; W202-L270 HydrophobicContact CH2-CD2 4.35Å; W202-L270 HydrophobicContact CZ3-CD1 4Å; W202-L270 HydrophobicContact CZ3-CD2 4.29Å |
| 203 | S | 92.3 | Very high | 88.8 | Confident | 75 Ų | 75 | 74.9 Ų | 74.9 | 52% | 0.524 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59 | -38.5 | 175.3 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | D199 R200 Q201 R207 | D199-S203 WeakPolarHBondContact O-CB 3.34Å; D199-S203 PolarHBondContact O-N 2.95Å; D199-S203 PolarHBondContact O-OG 2.89Å; R200-S203 WeakPolarHBondContact O-CB 3.45Å; R200-S203 PolarHBondContact O-N 2.87Å; Q201-S203 VanDerWaalsContact C-N 3.32Å; Q201-S203 PolarHBondContact O-N 3.31Å; S203-R207 WeakPolarHBondContact O-CB 3.47Å; S203-R207 PolarHBondContact O-N 3.27Å |
| 204 | Q | 92.2 | Very high | 89.1 | Confident | 55 Ų | 55 | 77 Ų | 77 | 26% | 0.257 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.3 | -42 | 175.2 | -72.1 | 173.5 | -31 | 0 | 0 | 112.4 | R200 Q201 W202 R207 I208 | R200-Q204 WeakPolarHBondContact O-CG 3.47Å; R200-Q204 PolarHBondContact O-N 3.47Å; R200-Q204 VanDerWaalsContact O-N 3.08Å; Q201-Q204 WeakPolarHBondContact O-CB 3.47Å; Q201-Q204 PolarHBondContact O-N 3.4Å; Q201-Q204 VanDerWaalsContact O-N 3.1Å; W202-Q204 VanDerWaalsContact C-N 3.26Å; W202-Q204 PolarHBondContact O-N 3.08Å; Q204-R207 PolarHBondContact O-N 2.65Å; Q204-I208 VanDerWaalsContact O-CG1 3.27Å; Q204-I208 WeakPolarHBondContact O-CG1 3.35Å; Q204-I208 PolarHBondContact O-N 3.19Å |
| 205 | I | 90.6 | Very high | 89.6 | Confident | 10 Ų | 10 | 75.6 Ų | 75.6 | 5% | 0.051 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.1 | -46 | 177.5 | -68.5 | 165.5 | 0 | 0 | 0 | 110.5 | I192 I197 Q201 W202 R207 I208 A209 I266 V269 L270 | I192-I205 HydrophobicContact CD1-CG1 4.38Å; I192-I205 HydrophobicContact CG2-CD1 3.9Å; I197-I205 HydrophobicContact CD1-CD1 4.15Å; I197-I205 HydrophobicContact CG2-CD1 4.06Å; Q201-I205 WeakPolarHBondContact O-CG1 3.31Å; Q201-I205 PolarHBondContact O-N 3.04Å; W202-I205 HydrophobicContact CE3-CD1 4.26Å; W202-I205 PolarHBondContact O-N 3.21Å; W202-I205 VanDerWaalsContact O-N 3.15Å; I205-R207 VanDerWaalsContact C-N 3.31Å; I205-R207 PolarHBondContact O-N 3.3Å; I205-I208 PolarHBondContact O-N 3.39Å; I205-A209 PolarHBondContact O-N 3.13Å; I205-I266 HydrophobicContact CG2-CG2 4.31Å; I205-V269 HydrophobicContact CG2-CG1 4.09Å; I205-L270 HydrophobicContact CD1-CD2 4.2Å; I205-L270 HydrophobicContact CG2-CD2 4.31Å |
| 206 | I | 91.6 | Very high | 89.7 | Confident | 88 Ų | 88 | 73.5 Ų | 73.5 | 45% | 0.451 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.1 | -45.9 | 176.5 | -67.4 | 164.4 | 0 | 0 | 0 | 110.1 | W202 I208 A209 A210 I266 | W202-I206 VanDerWaalsContact O-CG1 3.28Å; W202-I206 WeakPolarHBondContact O-CG1 3.44Å; W202-I206 PolarHBondContact O-N 3.45Å; I206-I208 VanDerWaalsContact C-N 3.34Å; I206-I208 PolarHBondContact O-N 2.91Å; I206-A209 PolarHBondContact O-N 3.38Å; I206-A210 PolarHBondContact O-N 3.15Å; I206-I266 HydrophobicContact CG1-CD1 3.91Å; I206-I266 HydrophobicContact CG1-CG1 4.49Å |
| 207 | R | 93.2 | Very high | 89.8 | Confident | 132 Ų | 132 | 72 Ų | 72 | 50% | 0.498 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 176.7 | -171.2 | -177.2 | 68.7 | 119.8 | 2.5 | 112.2 | S203 Q204 I205 A210 L211 F323 | S203-R207 WeakPolarHBondContact O-CB 3.47Å; S203-R207 PolarHBondContact O-N 3.27Å; Q204-R207 PolarHBondContact O-N 2.65Å; I205-R207 VanDerWaalsContact C-N 3.31Å; I205-R207 PolarHBondContact O-N 3.3Å; R207-A210 PolarHBondContact O-N 2.95Å; R207-L211 HydrophobicContact CG-CD1 4.24Å; R207-L211 VanDerWaalsContact O-CG 3.31Å; R207-L211 WeakPolarHBondContact O-CG 3.16Å; R207-L211 PolarHBondContact O-N 3.04Å; R207-F323 VanDerWaalsContact NH2-CE2 3.34Å |
| 208 | I | 88.7 | Confident | 89.8 | Confident | 14 Ų | 14 | 74.3 Ų | 74.3 | 7% | 0.072 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.2 | -48.8 | 175.8 | -70.9 | 162.9 | 0 | 0 | 0 | 110.1 | Q204 I205 I206 A210 L211 L212 V269 F323 | Q204-I208 VanDerWaalsContact O-CG1 3.27Å; Q204-I208 WeakPolarHBondContact O-CG1 3.35Å; Q204-I208 PolarHBondContact O-N 3.19Å; I205-I208 PolarHBondContact O-N 3.39Å; I206-I208 VanDerWaalsContact C-N 3.34Å; I206-I208 PolarHBondContact O-N 2.91Å; I208-A210 VanDerWaalsContact C-N 3.32Å; I208-A210 PolarHBondContact O-N 3.41Å; I208-L211 PolarHBondContact O-N 3.3Å; I208-L212 HydrophobicContact CG2-CD1 3.72Å; I208-L212 HydrophobicContact CG2-CG 4.16Å; I208-L212 VanDerWaalsContact O-CG 3.29Å; I208-L212 WeakPolarHBondContact O-CG 3.38Å; I208-L212 PolarHBondContact O-N 3.22Å; I208-V269 HydrophobicContact CG2-CG1 4.34Å; I208-F323 HydrophobicContact CD1-CD2 4.26Å; I208-F323 HydrophobicContact CD1-CE2 3.84Å; I208-F323 HydrophobicContact CG1-CD2 4.18Å; I208-F323 HydrophobicContact CG1-CE2 3.36Å; I208-F323 HydrophobicContact CG1-CZ 3.9Å |
| 209 | A | 89.4 | Confident | 89.5 | Confident | 4 Ų | 4 | 75.4 Ų | 75.4 | 3% | 0.033 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -56.6 | -46.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I205 I206 L211 L212 Q213 I266 V269 | I205-A209 PolarHBondContact O-N 3.13Å; I206-A209 PolarHBondContact O-N 3.38Å; A209-L211 PolarHBondContact O-N 2.83Å; A209-L212 PolarHBondContact O-N 3.08Å; A209-Q213 WeakPolarHBondContact O-CB 3.23Å; A209-Q213 PolarHBondContact O-N 2.71Å; A209-I266 HydrophobicContact CB-CG1 4.02Å; A209-V269 HydrophobicContact CB-CG2 3.9Å |
| 210 | A | 89.8 | Confident | 89.2 | Confident | 53 Ų | 53 | 70 Ų | 70 | 44% | 0.438 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I206 R207 I208 Q213 Q214 | I206-A210 PolarHBondContact O-N 3.15Å; R207-A210 PolarHBondContact O-N 2.95Å; I208-A210 VanDerWaalsContact C-N 3.32Å; I208-A210 PolarHBondContact O-N 3.41Å; A210-Q213 PolarHBondContact O-N 3.25Å; A210-Q214 PolarHBondContact O-N 3.45Å |
| 211 | L | 91.1 | Very high | 89 | Confident | 56 Ų | 56 | 63.6 Ų | 63.6 | 29% | 0.293 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 177.5 | -73.7 | 170 | 0 | 0 | 0 | 112 | R207 I208 A209 Q214 Q215 F323 | R207-L211 HydrophobicContact CG-CD1 4.24Å; R207-L211 VanDerWaalsContact O-CG 3.31Å; R207-L211 WeakPolarHBondContact O-CG 3.16Å; R207-L211 PolarHBondContact O-N 3.04Å; I208-L211 PolarHBondContact O-N 3.3Å; A209-L211 PolarHBondContact O-N 2.83Å; L211-Q214 PolarHBondContact O-N 3.33Å; L211-Q215 WeakPolarHBondContact O-CG 3.32Å; L211-Q215 PolarHBondContact O-N 2.64Å; L211-F323 HydrophobicContact CD1-CE1 4.08Å; L211-F323 HydrophobicContact CD1-CZ 3.78Å |
| 212 | L | 87.6 | Confident | 88.8 | Confident | 10 Ų | 10 | 64.1 Ų | 64.1 | 5% | 0.052 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.3 | -48.2 | 176.2 | -66.7 | 174.5 | 0 | 0 | 0 | 110.3 | I208 A209 Q214 Q215 Y216 P264 V269 F326 L330 | I208-L212 HydrophobicContact CG2-CD1 3.72Å; I208-L212 HydrophobicContact CG2-CG 4.16Å; I208-L212 VanDerWaalsContact O-CG 3.29Å; I208-L212 WeakPolarHBondContact O-CG 3.38Å; I208-L212 PolarHBondContact O-N 3.22Å; A209-L212 PolarHBondContact O-N 3.08Å; L212-Q214 VanDerWaalsContact C-N 3.29Å; L212-Q214 PolarHBondContact O-N 2.87Å; L212-Q215 PolarHBondContact O-N 3.25Å; L212-Q215 VanDerWaalsContact O-N 3.12Å; L212-Y216 HydrophobicContact CB-CD2 4.2Å; L212-Y216 HydrophobicContact CB-CE2 4.34Å; L212-Y216 HydrophobicContact CD2-CE2 4.17Å; L212-Y216 WeakPolarHBondContact O-CB 3.44Å; L212-Y216 WeakPolarHBondContact O-CD2 3.49Å; L212-Y216 PolarHBondContact O-N 3.16Å; L212-P264 HydrophobicContact CB-CG 4.01Å; L212-V269 HydrophobicContact CD1-CG2 3.99Å; L212-F326 HydrophobicContact CD1-CD1 3.9Å; L212-F326 HydrophobicContact CD1-CE1 3.58Å; L212-F326 HydrophobicContact CD1-CZ 4.33Å; L212-F326 HydrophobicContact CD2-CD1 3.66Å; L212-F326 HydrophobicContact CD2-CE1 4.17Å; L212-F326 HydrophobicContact CG-CD1 4.4Å; L212-L330 HydrophobicContact CD2-CD1 3.74Å |
| 213 | Q | 87.9 | Confident | 88.6 | Confident | 98 Ų | 98 | 63.7 Ų | 63.7 | 46% | 0.458 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -53.6 | -47.1 | 177 | -178.6 | 173.2 | 16.5 | 0 | 0 | 111.6 | A209 A210 Q215 S217 Y263 | A209-Q213 WeakPolarHBondContact O-CB 3.23Å; A209-Q213 PolarHBondContact O-N 2.71Å; A210-Q213 PolarHBondContact O-N 3.25Å; Q213-Q215 PolarHBondContact O-N 2.92Å; Q213-S217 WeakPolarHBondContact O-CB 3.24Å; Q213-S217 PolarHBondContact O-N 2.8Å; Q213-Y263 HydrophobicContact CG-CD2 4.41Å; Q213-Y263 HydrophobicContact CG-CG 4.35Å |
| 214 | Q | 87.7 | Confident | 88.4 | Confident | 136 Ų | 136 | 61.1 Ų | 61.1 | 64% | 0.636 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -59.8 | -47.3 | 176.4 | -174.4 | -176.3 | 10.4 | 0 | 0 | 112.2 | A210 L211 L212 S217 S218 | A210-Q214 PolarHBondContact O-N 3.45Å; L211-Q214 PolarHBondContact O-N 3.33Å; L212-Q214 VanDerWaalsContact C-N 3.29Å; L212-Q214 PolarHBondContact O-N 2.87Å; Q214-S217 PolarHBondContact O-N 2.84Å; Q214-S218 PolarHBondContact O-N 2.98Å |
| 215 | Q | 86.1 | Confident | 88.3 | Confident | 72 Ų | 72 | 64.7 Ų | 64.7 | 34% | 0.336 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -69 | -44.5 | -177 | -73.3 | -178 | -2.2 | 0 | 0 | 112.8 | L211 L212 Q213 S217 S218 R219 L330 | L211-Q215 WeakPolarHBondContact O-CG 3.32Å; L211-Q215 PolarHBondContact O-N 2.64Å; L212-Q215 PolarHBondContact O-N 3.25Å; L212-Q215 VanDerWaalsContact O-N 3.12Å; Q213-Q215 PolarHBondContact O-N 2.92Å; Q215-S217 VanDerWaalsContact C-N 3.29Å; Q215-S217 PolarHBondContact O-N 3.45Å; Q215-S218 PolarHBondContact O-N 3.43Å; Q215-R219 WeakPolarHBondContact O-CB 3.43Å; Q215-R219 PolarHBondContact O-N 3.45Å; Q215-L330 HydrophobicContact CB-CD2 4.02Å |
| 216 | Y | 85 | Confident | 88.2 | Confident | 79 Ų | 79 | 72.3 Ų | 72.3 | 31% | 0.31 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.4 | -36.2 | 176.5 | -80.4 | -80 | 0 | 0 | 0 | 111.3 | L212 R219 Q220 P264 | L212-Y216 HydrophobicContact CB-CD2 4.2Å; L212-Y216 HydrophobicContact CB-CE2 4.34Å; L212-Y216 HydrophobicContact CD2-CE2 4.17Å; L212-Y216 WeakPolarHBondContact O-CB 3.44Å; L212-Y216 WeakPolarHBondContact O-CD2 3.49Å; L212-Y216 PolarHBondContact O-N 3.16Å; Y216-R219 PolarHBondContact O-N 3.37Å; Y216-Q220 WeakPolarHBondContact O-CB 3.43Å; Y216-Q220 PolarHBondContact O-N 2.76Å; Y216-P264 HydrophobicContact CD2-CG 3.7Å; Y216-P264 HydrophobicContact CE2-CG 4.08Å; Y216-P264 HydrophobicContact CG-CG 4.39Å |
| 217 | S | 86.4 | Confident | 88 | Confident | 46 Ų | 46 | 71 Ų | 71 | 32% | 0.322 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.7 | -49.7 | 174.6 | -175.3 | 0 | 0 | 0 | 0 | 112.4 | Q213 Q214 Q215 R219 Q220 A221 Y263 | Q213-S217 WeakPolarHBondContact O-CB 3.24Å; Q213-S217 PolarHBondContact O-N 2.8Å; Q214-S217 PolarHBondContact O-N 2.84Å; Q215-S217 VanDerWaalsContact C-N 3.29Å; Q215-S217 PolarHBondContact O-N 3.45Å; S217-R219 VanDerWaalsContact C-N 3.31Å; S217-R219 PolarHBondContact O-N 3.38Å; S217-Q220 PolarHBondContact O-N 2.85Å; S217-A221 PolarHBondContact O-N 3.15Å; S217-Y263 WeakPolarHBondContact CA-OH 3.24Å; S217-Y263 PolarHBondContact OG-OH 2.97Å |
| 218 | S | 87.1 | Confident | 87.8 | Confident | 74 Ų | 74 | 66.3 Ų | 66.3 | 52% | 0.517 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.9 | -44.3 | 174.6 | -175.6 | 0 | 0 | 0 | 0 | 111.7 | Q214 Q215 A221 T222 | Q214-S218 PolarHBondContact O-N 2.98Å; Q215-S218 PolarHBondContact O-N 3.43Å; S218-A221 PolarHBondContact O-N 3.13Å; S218-T222 PolarHBondContact O-N 3.24Å; S218-T222 PolarHBondContact O-OG1 3.18Å; S218-T222 VanDerWaalsContact O-OG1 3.07Å |
| 219 | R | 85.1 | Confident | 87.8 | Confident | 79 Ų | 79 | 69.9 Ų | 69.9 | 30% | 0.298 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 179.8 | 176 | 171.9 | -70.6 | 178.7 | -2.2 | 112.1 | Q215 Y216 S217 A221 T222 L223 L330 V332 | Q215-R219 WeakPolarHBondContact O-CB 3.43Å; Q215-R219 PolarHBondContact O-N 3.45Å; Y216-R219 PolarHBondContact O-N 3.37Å; S217-R219 VanDerWaalsContact C-N 3.31Å; S217-R219 PolarHBondContact O-N 3.38Å; R219-A221 VanDerWaalsContact C-N 3.34Å; R219-T222 PolarHBondContact O-N 3.17Å; R219-L223 HydrophobicContact CG-CD1 3.93Å; R219-L223 HydrophobicContact CG-CG 4.36Å; R219-L223 WeakPolarHBondContact O-CB 3.19Å; R219-L223 WeakPolarHBondContact O-CG 3.24Å; R219-L223 PolarHBondContact O-N 2.98Å; R219-L330 PolarHBondContact NH2-O 3.46Å; R219-V332 VanDerWaalsContact NH1-CG2 3.28Å |
| 220 | Q | 85.5 | Confident | 87.6 | Confident | 25 Ų | 25 | 72.9 Ų | 72.9 | 12% | 0.117 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 177.8 | -173.4 | -178.9 | 12.6 | 0 | 0 | 110.6 | Y216 S217 T222 L223 L224 M258 Y263 | Y216-Q220 WeakPolarHBondContact O-CB 3.43Å; Y216-Q220 PolarHBondContact O-N 2.76Å; S217-Q220 PolarHBondContact O-N 2.85Å; Q220-T222 VanDerWaalsContact C-N 3.33Å; Q220-T222 PolarHBondContact O-N 3.44Å; Q220-L223 PolarHBondContact O-N 3.29Å; Q220-L224 HydrophobicContact CG-CD1 3.79Å; Q220-L224 HydrophobicContact CG-CG 4.12Å; Q220-L224 VanDerWaalsContact O-CB 3.29Å; Q220-L224 WeakPolarHBondContact O-CB 3.41Å; Q220-L224 VanDerWaalsContact O-CG 3.23Å; Q220-L224 WeakPolarHBondContact O-CG 3.43Å; Q220-L224 PolarHBondContact O-N 3.35Å; Q220-M258 PolarHBondContact NE2-O 2.97Å; Q220-Y263 HydrophobicContact CB-CE1 4.31Å; Q220-Y263 PolarHBondContact OE1-OH 3.33Å |
| 221 | A | 87.3 | Confident | 87.3 | Confident | 57 Ų | 57 | 71.6 Ų | 71.6 | 47% | 0.471 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57.4 | -45.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S217 S218 R219 K225 | S217-A221 PolarHBondContact O-N 3.15Å; S218-A221 PolarHBondContact O-N 3.13Å; R219-A221 VanDerWaalsContact C-N 3.34Å; A221-K225 VanDerWaalsContact O-CB 3.3Å; A221-K225 WeakPolarHBondContact O-CB 3.5Å; A221-K225 PolarHBondContact O-N 2.92Å |
| 222 | T | 88.2 | Confident | 87 | Confident | 91 Ų | 91 | 73.3 Ų | 73.3 | 56% | 0.558 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.7 | -44.9 | 176.3 | -55.1 | 0 | 0 | 0 | 0 | 112.4 | S218 R219 Q220 K225 R226 | S218-T222 PolarHBondContact O-N 3.24Å; S218-T222 PolarHBondContact O-OG1 3.18Å; S218-T222 VanDerWaalsContact O-OG1 3.07Å; R219-T222 PolarHBondContact O-N 3.17Å; Q220-T222 VanDerWaalsContact C-N 3.33Å; Q220-T222 PolarHBondContact O-N 3.44Å; T222-K225 PolarHBondContact O-N 3.05Å; T222-R226 WeakPolarHBondContact O-CB 3.35Å; T222-R226 PolarHBondContact O-N 2.84Å |
| 223 | L | 87.1 | Confident | 86.8 | Confident | 84 Ų | 84 | 76 Ų | 76 | 44% | 0.44 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.8 | -41.7 | -179.9 | -72.9 | 174.5 | 0 | 0 | 0 | 112.1 | R219 Q220 R226 L227 | R219-L223 HydrophobicContact CG-CD1 3.93Å; R219-L223 HydrophobicContact CG-CG 4.36Å; R219-L223 WeakPolarHBondContact O-CB 3.19Å; R219-L223 WeakPolarHBondContact O-CG 3.24Å; R219-L223 PolarHBondContact O-N 2.98Å; Q220-L223 PolarHBondContact O-N 3.29Å; L223-R226 PolarHBondContact O-N 2.86Å; L223-L227 PolarHBondContact O-N 2.95Å |
| 224 | L | 88.4 | Confident | 86.4 | Confident | 21 Ų | 21 | 76.6 Ų | 76.6 | 11% | 0.11 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 173.1 | -72 | 175 | 0 | 0 | 0 | 110.3 | Q220 R226 L227 D228 M258 | Q220-L224 HydrophobicContact CG-CD1 3.79Å; Q220-L224 HydrophobicContact CG-CG 4.12Å; Q220-L224 VanDerWaalsContact O-CB 3.29Å; Q220-L224 WeakPolarHBondContact O-CB 3.41Å; Q220-L224 VanDerWaalsContact O-CG 3.23Å; Q220-L224 WeakPolarHBondContact O-CG 3.43Å; Q220-L224 PolarHBondContact O-N 3.35Å; L224-R226 VanDerWaalsContact C-N 3.31Å; L224-R226 PolarHBondContact O-N 3.43Å; L224-L227 CarbonylContact O-C 3.57Å; L224-L227 WeakPolarHBondContact O-CA 3.41Å; L224-L227 WeakPolarHBondContact O-CB 3.32Å; L224-L227 PolarHBondContact O-N 2.91Å; L224-L227 VanDerWaalsContact O-N 3.1Å; L224-D228 PolarHBondContact O-N 3.44Å; L224-M258 HydrophobicContact CD2-CB 3.8Å; L224-M258 HydrophobicContact CD2-CE 4.47Å; L224-M258 HydrophobicContact CD2-SD 4.34Å |
| 225 | K | 91 | Very high | 85.9 | Confident | 129 Ų | 129 | 73.5 Ų | 73.5 | 56% | 0.561 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62.5 | -39.3 | 177.1 | -170.6 | 62.2 | 177.4 | -176.6 | 0 | 112.4 | A221 T222 L227 D228 V229 | A221-K225 VanDerWaalsContact O-CB 3.3Å; A221-K225 WeakPolarHBondContact O-CB 3.5Å; A221-K225 PolarHBondContact O-N 2.92Å; T222-K225 PolarHBondContact O-N 3.05Å; K225-L227 VanDerWaalsContact C-N 3.31Å; K225-L227 PolarHBondContact O-N 3Å; K225-D228 WeakPolarHBondContact O-CB 3.3Å; K225-D228 PolarHBondContact O-N 3.44Å; K225-V229 WeakPolarHBondContact O-CG2 3.31Å; K225-V229 PolarHBondContact O-N 3.43Å |
| 226 | R | 89 | Confident | 85.4 | Confident | 170 Ų | 170 | 80.3 Ų | 80.3 | 64% | 0.642 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61.1 | -42.6 | 174.2 | -168.7 | -178.9 | 85.5 | -174.5 | 5 | 111 | T222 L223 L224 V229 T230 | T222-R226 WeakPolarHBondContact O-CB 3.35Å; T222-R226 PolarHBondContact O-N 2.84Å; L223-R226 PolarHBondContact O-N 2.86Å; L224-R226 VanDerWaalsContact C-N 3.31Å; L224-R226 PolarHBondContact O-N 3.43Å; R226-V229 PolarHBondContact O-N 2.91Å; R226-T230 WeakPolarHBondContact O-CB 3.46Å; R226-T230 PolarHBondContact O-N 2.86Å; R226-T230 PolarHBondContact O-OG1 3.46Å |
| 227 | L | 86.6 | Confident | 85.1 | Confident | 62 Ų | 62 | 79.2 Ų | 79.2 | 33% | 0.325 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.3 | -47.8 | 174.6 | 179.1 | 65.3 | 0 | 0 | 0 | 111.1 | L223 L224 K225 V229 T230 V231 Y251 M258 | L223-L227 PolarHBondContact O-N 2.95Å; L224-L227 CarbonylContact O-C 3.57Å; L224-L227 WeakPolarHBondContact O-CA 3.41Å; L224-L227 WeakPolarHBondContact O-CB 3.32Å; L224-L227 PolarHBondContact O-N 2.91Å; L224-L227 VanDerWaalsContact O-N 3.1Å; K225-L227 VanDerWaalsContact C-N 3.31Å; K225-L227 PolarHBondContact O-N 3Å; L227-V229 VanDerWaalsContact C-N 3.34Å; L227-V229 PolarHBondContact O-N 3.31Å; L227-T230 WeakPolarHBondContact O-CB 3.4Å; L227-T230 PolarHBondContact O-N 2.96Å; L227-T230 VanDerWaalsContact O-N 3.12Å; L227-V231 HydrophobicContact CD1-CG2 4.4Å; L227-V231 WeakPolarHBondContact O-CG2 3.31Å; L227-V231 PolarHBondContact O-N 3.14Å; L227-Y251 HydrophobicContact CD2-CE2 4.03Å; L227-Y251 HydrophobicContact CG-CE2 3.99Å; L227-M258 HydrophobicContact CD2-CE 3.46Å; L227-M258 VanDerWaalsContact CD2-CE 3.46Å; L227-M258 HydrophobicContact CD2-SD 4.08Å |
| 228 | D | 89.6 | Confident | 84.8 | Confident | 33 Ų | 33 | 83 Ų | 83 | 18% | 0.176 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -53.9 | -51.5 | 176.9 | -57 | -10.2 | 0 | 0 | 0 | 110.1 | L224 K225 T230 V231 Q232 Y251 R255 | L224-D228 PolarHBondContact O-N 3.44Å; K225-D228 WeakPolarHBondContact O-CB 3.3Å; K225-D228 PolarHBondContact O-N 3.44Å; D228-T230 VanDerWaalsContact C-N 3.31Å; D228-T230 PolarHBondContact O-N 3.18Å; D228-V231 PolarHBondContact O-N 2.75Å; D228-Q232 WeakPolarHBondContact O-CG 3.45Å; D228-Q232 PolarHBondContact O-N 3.12Å; D228-Y251 VanDerWaalsContact CA-OH 3.29Å; D228-Y251 WeakPolarHBondContact CA-OH 3.31Å; D228-Y251 PolarHBondContact N-OH 3.42Å; D228-Y251 PolarHBondContact OD1-OH 2.81Å; D228-R255 IonicContact OD1-CZ 3.83Å; D228-R255 IonicContact OD1-NE 3.19Å; D228-R255 PolarHBondContact OD1-NE 3.14Å; D228-R255 IonicContact OD1-NH2 3.67Å; D228-R255 IonicContact OD2-NE 2.81Å; D228-R255 IonicContact OD2-NH2 3.49Å; D228-R255 PolarHBondContact OD2-NH2 3.46Å |
| 229 | V | 88.1 | Confident | 84.3 | Confident | 88 Ų | 88 | 88.2 Ų | 88.2 | 53% | 0.533 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.5 | -36.8 | 179.4 | 173 | 0 | 0 | 0 | 0 | 111.8 | K225 R226 L227 Q232 S233 | K225-V229 WeakPolarHBondContact O-CG2 3.31Å; K225-V229 PolarHBondContact O-N 3.43Å; R226-V229 PolarHBondContact O-N 2.91Å; L227-V229 VanDerWaalsContact C-N 3.34Å; L227-V229 PolarHBondContact O-N 3.31Å; V229-Q232 PolarHBondContact O-N 2.92Å; V229-S233 PolarHBondContact O-N 3.4Å |
| 230 | T | 85.4 | Confident | 83.9 | Confident | 68 Ų | 68 | 85.1 Ų | 85.1 | 42% | 0.417 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 175.8 | -55.3 | 0 | 0 | 0 | 0 | 111.5 | R226 L227 D228 S233 F234 | R226-T230 WeakPolarHBondContact O-CB 3.46Å; R226-T230 PolarHBondContact O-N 2.86Å; R226-T230 PolarHBondContact O-OG1 3.46Å; L227-T230 WeakPolarHBondContact O-CB 3.4Å; L227-T230 PolarHBondContact O-N 2.96Å; L227-T230 VanDerWaalsContact O-N 3.12Å; D228-T230 VanDerWaalsContact C-N 3.31Å; D228-T230 PolarHBondContact O-N 3.18Å; T230-S233 PolarHBondContact O-N 2.9Å; T230-S233 PolarHBondContact O-OG 3.4Å; T230-F234 VanDerWaalsContact O-CD2 3.22Å; T230-F234 WeakPolarHBondContact O-CD2 3.41Å; T230-F234 WeakPolarHBondContact O-CE2 3.38Å |
| 231 | V | 83.8 | Confident | 83.5 | Confident | 26 Ų | 26 | 89.3 Ų | 89.3 | 16% | 0.158 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -71.5 | -37.9 | 175.8 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | L227 D228 S233 F234 I247 Y251 | L227-V231 HydrophobicContact CD1-CG2 4.4Å; L227-V231 WeakPolarHBondContact O-CG2 3.31Å; L227-V231 PolarHBondContact O-N 3.14Å; D228-V231 PolarHBondContact O-N 2.75Å; V231-S233 VanDerWaalsContact C-N 3.27Å; V231-S233 PolarHBondContact O-N 3.43Å; V231-F234 PolarHBondContact O-N 2.91Å; V231-I247 HydrophobicContact CG1-CG2 4.14Å; V231-Y251 HydrophobicContact CB-CD2 4.46Å; V231-Y251 HydrophobicContact CB-CE2 4.34Å; V231-Y251 HydrophobicContact CG1-CD1 4.12Å; V231-Y251 HydrophobicContact CG1-CD2 4.3Å; V231-Y251 HydrophobicContact CG1-CE1 4.42Å; V231-Y251 HydrophobicContact CG1-CG 4.02Å; V231-Y251 HydrophobicContact CG2-CD2 3.76Å; V231-Y251 HydrophobicContact CG2-CE2 3.64Å; V231-Y251 HydrophobicContact CG2-CG 4.32Å |
| 232 | Q | 84.6 | Confident | 83.3 | Confident | 92 Ų | 92 | 91.4 Ų | 91.4 | 43% | 0.43 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.4 | -29.7 | 176.1 | -65.1 | -78.5 | -15.4 | 0 | 0 | 112.4 | D228 V229 F234 K235 | D228-Q232 WeakPolarHBondContact O-CG 3.45Å; D228-Q232 PolarHBondContact O-N 3.12Å; V229-Q232 PolarHBondContact O-N 2.92Å; Q232-F234 PolarHBondContact O-N 3.12Å; Q232-K235 VanDerWaalsContact O-CB 3.23Å; Q232-K235 WeakPolarHBondContact O-CB 3.49Å; Q232-K235 WeakPolarHBondContact O-CG 3.03Å; Q232-K235 PolarHBondContact O-N 3.47Å |
| 233 | S | 82.7 | Confident | 83 | Confident | 65 Ų | 65 | 89.2 Ų | 89.2 | 46% | 0.455 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63 | -27.8 | 177.1 | 79 | 0 | 0 | 0 | 0 | 112.5 | V229 T230 V231 K235 W236 | V229-S233 PolarHBondContact O-N 3.4Å; T230-S233 PolarHBondContact O-N 2.9Å; T230-S233 PolarHBondContact O-OG 3.4Å; V231-S233 VanDerWaalsContact C-N 3.27Å; V231-S233 PolarHBondContact O-N 3.43Å; S233-K235 PolarHBondContact O-N 3.38Å; S233-W236 PolarHBondContact O-N 3.36Å |
| 234 | F | 79.5 | Confident | 82.7 | Confident | 111 Ų | 111 | 87.1 Ų | 87.1 | 49% | 0.487 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -66.3 | -22.3 | 173.4 | -68.8 | -77.8 | 0 | 0 | 0 | 113.1 | T230 V231 Q232 W236 S237 A240 | T230-F234 VanDerWaalsContact O-CD2 3.22Å; T230-F234 WeakPolarHBondContact O-CD2 3.41Å; T230-F234 WeakPolarHBondContact O-CE2 3.38Å; V231-F234 PolarHBondContact O-N 2.91Å; Q232-F234 PolarHBondContact O-N 3.12Å; F234-W236 PolarHBondContact O-N 3.25Å; F234-W236 VanDerWaalsContact O-N 3.13Å; F234-S237 PolarHBondContact O-N 2.94Å; F234-S237 VanDerWaalsContact O-N 3.16Å; F234-A240 HydrophobicContact CB-CB 4.47Å; F234-A240 WeakPolarHBondContact O-CB 3.4Å |
| 235 | K | 77.8 | Confident | 82.6 | Confident | 71 Ų | 71 | 92.5 Ų | 92.5 | 31% | 0.309 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -62.7 | -20 | 177.1 | -63.1 | -168.2 | 177.6 | 174.6 | 0 | 113.6 | Q232 S233 K241 L244 | Q232-K235 VanDerWaalsContact O-CB 3.23Å; Q232-K235 WeakPolarHBondContact O-CB 3.49Å; Q232-K235 WeakPolarHBondContact O-CG 3.03Å; Q232-K235 PolarHBondContact O-N 3.47Å; S233-K235 PolarHBondContact O-N 3.38Å; K235-K241 WeakPolarHBondContact O-CE 3.45Å; K235-K241 WeakPolarHBondContact O-CG 3.49Å; K235-L244 HydrophobicContact CD-CD1 4.13Å; K235-L244 HydrophobicContact CD-CD2 3.93Å; K235-L244 HydrophobicContact CG-CD1 3.58Å; K235-L244 HydrophobicContact CG-CD2 3.94Å; K235-L244 HydrophobicContact CG-CG 4.41Å |
| 236 | W | 75.2 | Confident | 82.3 | Confident | 216 Ų | 216 | 93.8 Ų | 93.8 | 82% | 0.818 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -80.5 | -18.1 | -179.1 | -61.4 | 81.3 | 0 | 0 | 0 | 112.7 | S233 F234 | S233-W236 PolarHBondContact O-N 3.36Å; F234-W236 PolarHBondContact O-N 3.25Å; F234-W236 VanDerWaalsContact O-N 3.13Å |
| 237 | S | 78.7 | Confident | 82 | Confident | 56 Ų | 56 | 88.4 Ų | 88.4 | 39% | 0.392 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -79.9 | 126.8 | 176.5 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | F234 K239 A240 K241 | F234-S237 PolarHBondContact O-N 2.94Å; F234-S237 VanDerWaalsContact O-N 3.16Å; S237-K239 PolarHBondContact O-N 2.97Å; S237-K239 PolarHBondContact OG-N 3.23Å; S237-A240 PolarHBondContact O-N 3.22Å; S237-K241 WeakPolarHBondContact O-CG 3.45Å; S237-K241 PolarHBondContact O-N 2.61Å |
| 238 | D | 80 | Confident | 82 | Confident | 126 Ų | 126 | 87.5 Ų | 87.5 | 67% | 0.674 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -58.9 | -35.6 | 177.1 | -64.7 | -37.8 | 0 | 0 | 0 | 112.7 | A240 K241 | D238-A240 PolarHBondContact O-N 3.09Å; D238-K241 PolarHBondContact O-N 3.46Å; D238-K241 IonicContact OD1-NZ 3.91Å; D238-K241 PolarHBondContact OD1-NZ 3.38Å |
| 239 | K | 77.2 | Confident | 81.9 | Confident | 182 Ų | 182 | 89.9 Ų | 89.9 | 79% | 0.791 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -63.8 | -41.9 | 175.2 | -171.9 | 176.2 | -178.9 | 178.2 | 0 | 111.5 | S237 S242 | S237-K239 PolarHBondContact O-N 2.97Å; S237-K239 PolarHBondContact OG-N 3.23Å; K239-S242 PolarHBondContact O-OG 3.33Å |
| 240 | A | 75.1 | Confident | 81.8 | Confident | 14 Ų | 14 | 89.8 Ų | 89.8 | 12% | 0.116 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -75.9 | -28.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | F234 S237 D238 S242 S243 L244 I247 | F234-A240 HydrophobicContact CB-CB 4.47Å; F234-A240 WeakPolarHBondContact O-CB 3.4Å; S237-A240 PolarHBondContact O-N 3.22Å; D238-A240 PolarHBondContact O-N 3.09Å; A240-S242 PolarHBondContact O-N 3.36Å; A240-S243 CarbonylContact O-C 3.37Å; A240-S243 PolarHBondContact O-N 2.93Å; A240-L244 PolarHBondContact O-N 3.37Å; A240-I247 HydrophobicContact CB-CD1 4.48Å |
| 241 | K | 78.4 | Confident | 81.9 | Confident | 113 Ų | 113 | 88 Ų | 88 | 49% | 0.491 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -53.7 | -39.2 | 174.5 | -71.6 | 174.2 | -168.7 | 162 | 0 | 112 | K235 S237 D238 S243 L244 | K235-K241 WeakPolarHBondContact O-CE 3.45Å; K235-K241 WeakPolarHBondContact O-CG 3.49Å; S237-K241 WeakPolarHBondContact O-CG 3.45Å; S237-K241 PolarHBondContact O-N 2.61Å; D238-K241 PolarHBondContact O-N 3.46Å; D238-K241 IonicContact OD1-NZ 3.91Å; D238-K241 PolarHBondContact OD1-NZ 3.38Å; K241-S243 PolarHBondContact O-N 2.83Å; K241-L244 PolarHBondContact O-N 3.01Å |
| 242 | S | 82.1 | Confident | 82.2 | Confident | 101 Ų | 101 | 90.4 Ų | 90.4 | 71% | 0.706 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -21.6 | 176.9 | 73.8 | 0 | 0 | 0 | 0 | 114.5 | K239 A240 | K239-S242 PolarHBondContact O-OG 3.33Å; A240-S242 PolarHBondContact O-N 3.36Å |
| 243 | S | 81.8 | Confident | 82.3 | Confident | 45 Ų | 45 | 91.4 Ų | 91.4 | 32% | 0.315 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | 14.5 | -175.4 | -62.9 | 0 | 0 | 0 | 0 | 112.3 | A240 K241 D245 K246 I247 | A240-S243 CarbonylContact O-C 3.37Å; A240-S243 PolarHBondContact O-N 2.93Å; K241-S243 PolarHBondContact O-N 2.83Å; S243-D245 VanDerWaalsContact C-N 3.33Å; S243-D245 PolarHBondContact O-N 3.03Å; S243-K246 WeakPolarHBondContact O-CB 3.39Å; S243-K246 PolarHBondContact O-N 2.84Å; S243-I247 WeakPolarHBondContact O-CG1 3.21Å; S243-I247 PolarHBondContact O-N 3.29Å; S243-I247 VanDerWaalsContact O-N 3.08Å |
| 244 | L | 82.3 | Confident | 82.4 | Confident | 40 Ų | 40 | 92.7 Ų | 92.7 | 21% | 0.209 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -64.5 | -38.4 | -171.5 | -178 | 57.3 | 0 | 0 | 0 | 112.6 | K235 A240 K241 K246 I247 T248 | K235-L244 HydrophobicContact CD-CD1 4.13Å; K235-L244 HydrophobicContact CD-CD2 3.93Å; K235-L244 HydrophobicContact CG-CD1 3.58Å; K235-L244 HydrophobicContact CG-CD2 3.94Å; K235-L244 HydrophobicContact CG-CG 4.41Å; A240-L244 PolarHBondContact O-N 3.37Å; K241-L244 PolarHBondContact O-N 3.01Å; L244-K246 VanDerWaalsContact C-N 3.29Å; L244-K246 PolarHBondContact O-N 3.25Å; L244-I247 PolarHBondContact O-N 3.14Å; L244-T248 WeakPolarHBondContact O-CB 3.36Å; L244-T248 PolarHBondContact O-N 2.66Å; L244-T248 PolarHBondContact O-OG1 3.17Å |
| 245 | D | 84.8 | Confident | 82.9 | Confident | 134 Ų | 134 | 90.5 Ų | 90.5 | 72% | 0.717 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.5 | -39.3 | 178.3 | -63.1 | -23 | 0 | 0 | 0 | 111.1 | S243 T248 T249 | S243-D245 VanDerWaalsContact C-N 3.33Å; S243-D245 PolarHBondContact O-N 3.03Å; D245-T248 PolarHBondContact O-N 3.37Å; D245-T249 WeakPolarHBondContact O-CB 3.4Å; D245-T249 PolarHBondContact O-N 3.34Å; D245-T249 PolarHBondContact O-OG1 3.01Å |
| 246 | K | 85.2 | Confident | 83.2 | Confident | 156 Ų | 156 | 94.2 Ų | 94.2 | 68% | 0.678 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64 | -46.1 | 175.6 | -61.8 | 179.8 | -179.2 | 175.2 | 0 | 111 | S243 L244 T249 V250 | S243-K246 WeakPolarHBondContact O-CB 3.39Å; S243-K246 PolarHBondContact O-N 2.84Å; L244-K246 VanDerWaalsContact C-N 3.29Å; L244-K246 PolarHBondContact O-N 3.25Å; K246-T249 PolarHBondContact O-N 2.75Å; K246-V250 WeakPolarHBondContact O-CG2 3.29Å; K246-V250 PolarHBondContact O-N 2.94Å |
| 247 | I | 83.4 | Confident | 83.5 | Confident | 57 Ų | 57 | 93.1 Ų | 93.1 | 29% | 0.292 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.7 | -47.7 | 177.4 | -65.2 | 168 | 0 | 0 | 0 | 110.1 | V231 A240 S243 L244 T249 V250 Y251 | V231-I247 HydrophobicContact CG1-CG2 4.14Å; A240-I247 HydrophobicContact CB-CD1 4.48Å; S243-I247 WeakPolarHBondContact O-CG1 3.21Å; S243-I247 PolarHBondContact O-N 3.29Å; S243-I247 VanDerWaalsContact O-N 3.08Å; L244-I247 PolarHBondContact O-N 3.14Å; I247-T249 PolarHBondContact O-N 3.05Å; I247-V250 PolarHBondContact O-N 3.12Å; I247-Y251 WeakPolarHBondContact O-CB 3.34Å; I247-Y251 PolarHBondContact O-N 2.93Å |
| 248 | T | 86 | Confident | 83.6 | Confident | 44 Ų | 44 | 93 Ų | 93 | 27% | 0.27 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64 | -42.4 | -177.4 | -55.5 | 0 | 0 | 0 | 0 | 111.4 | L244 D245 Y251 N252 | L244-T248 WeakPolarHBondContact O-CB 3.36Å; L244-T248 PolarHBondContact O-N 2.66Å; L244-T248 PolarHBondContact O-OG1 3.17Å; D245-T248 PolarHBondContact O-N 3.37Å; T248-Y251 PolarHBondContact O-N 2.92Å; T248-N252 WeakPolarHBondContact CG2-ND2 3.41Å; T248-N252 WeakPolarHBondContact O-CB 3.33Å; T248-N252 PolarHBondContact O-N 2.87Å; T248-N252 PolarHBondContact O-ND2 2.96Å |
| 249 | T | 87.5 | Confident | 83.3 | Confident | 82 Ų | 82 | 89 Ų | 89 | 50% | 0.503 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.6 | -49.5 | 177.8 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | D245 K246 I247 Q253 | D245-T249 WeakPolarHBondContact O-CB 3.4Å; D245-T249 PolarHBondContact O-N 3.34Å; D245-T249 PolarHBondContact O-OG1 3.01Å; K246-T249 PolarHBondContact O-N 2.75Å; I247-T249 PolarHBondContact O-N 3.05Å; T249-Q253 WeakPolarHBondContact O-CG 3.34Å |
| 250 | V | 87 | Confident | 82.8 | Confident | 86 Ų | 86 | 87 Ų | 87 | 52% | 0.521 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67 | -42.9 | 178.9 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | K246 I247 I254 | K246-V250 WeakPolarHBondContact O-CG2 3.29Å; K246-V250 PolarHBondContact O-N 2.94Å; I247-V250 PolarHBondContact O-N 3.12Å; V250-I254 HydrophobicContact CG1-CD1 4.21Å; V250-I254 WeakPolarHBondContact O-CG1 3.33Å; V250-I254 PolarHBondContact O-N 3.23Å |
| 251 | Y | 87.5 | Confident | 82.5 | Confident | 32 Ų | 32 | 91.3 Ų | 91.3 | 13% | 0.125 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -65.3 | -46.8 | -176.7 | 174.7 | -109.8 | 0 | 0 | 0 | 112.7 | L227 D228 V231 I247 T248 Q253 I254 R255 | L227-Y251 HydrophobicContact CD2-CE2 4.03Å; L227-Y251 HydrophobicContact CG-CE2 3.99Å; D228-Y251 VanDerWaalsContact CA-OH 3.29Å; D228-Y251 WeakPolarHBondContact CA-OH 3.31Å; D228-Y251 PolarHBondContact N-OH 3.42Å; D228-Y251 PolarHBondContact OD1-OH 2.81Å; V231-Y251 HydrophobicContact CB-CD2 4.46Å; V231-Y251 HydrophobicContact CB-CE2 4.34Å; V231-Y251 HydrophobicContact CG1-CD1 4.12Å; V231-Y251 HydrophobicContact CG1-CD2 4.3Å; V231-Y251 HydrophobicContact CG1-CE1 4.42Å; V231-Y251 HydrophobicContact CG1-CG 4.02Å; V231-Y251 HydrophobicContact CG2-CD2 3.76Å; V231-Y251 HydrophobicContact CG2-CE2 3.64Å; V231-Y251 HydrophobicContact CG2-CG 4.32Å; I247-Y251 WeakPolarHBondContact O-CB 3.34Å; I247-Y251 PolarHBondContact O-N 2.93Å; T248-Y251 PolarHBondContact O-N 2.92Å; Y251-Q253 VanDerWaalsContact C-N 3.31Å; Y251-Q253 PolarHBondContact O-N 3.1Å; Y251-I254 PolarHBondContact O-N 2.98Å; Y251-I254 VanDerWaalsContact O-N 3.13Å; Y251-R255 HydrophobicContact CE1-CB 4.14Å; Y251-R255 HydrophobicContact CE1-CG 4.19Å; Y251-R255 HydrophobicContact CE2-CB 4.33Å; Y251-R255 VanDerWaalsContact O-CB 3.28Å; Y251-R255 WeakPolarHBondContact O-CB 3.49Å; Y251-R255 PolarHBondContact O-N 3.27Å |
| 252 | N | 88.6 | Confident | 82.1 | Confident | 75 Ų | 75 | 91.4 Ų | 91.4 | 40% | 0.401 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.2 | -42 | -178 | -71.7 | -8.9 | 0 | 0 | 0 | 111.5 | T248 I254 R255 E256 | T248-N252 WeakPolarHBondContact CG2-ND2 3.41Å; T248-N252 WeakPolarHBondContact O-CB 3.33Å; T248-N252 PolarHBondContact O-N 2.87Å; T248-N252 PolarHBondContact O-ND2 2.96Å; N252-I254 VanDerWaalsContact C-N 3.28Å; N252-I254 PolarHBondContact O-N 3.2Å; N252-R255 PolarHBondContact O-N 2.87Å; N252-R255 VanDerWaalsContact O-N 3.15Å; N252-E256 WeakPolarHBondContact O-CG 3.18Å; N252-E256 PolarHBondContact O-N 3.49Å |
| 253 | Q | 87.2 | Confident | 81.4 | Confident | 114 Ų | 114 | 89.8 Ų | 89.8 | 53% | 0.533 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -57.8 | -38.4 | 176.5 | -70.7 | 175.4 | -1.2 | 0 | 0 | 113.1 | T249 Y251 | T249-Q253 WeakPolarHBondContact O-CG 3.34Å; Y251-Q253 VanDerWaalsContact C-N 3.31Å; Y251-Q253 PolarHBondContact O-N 3.1Å |
| 254 | I | 86 | Confident | 81 | Confident | 91 Ų | 91 | 89 Ų | 89 | 47% | 0.467 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -78.5 | -40.5 | 177.8 | -57.1 | 171.6 | 0 | 0 | 0 | 109.7 | V250 Y251 N252 E256 R257 M258 | V250-I254 HydrophobicContact CG1-CD1 4.21Å; V250-I254 WeakPolarHBondContact O-CG1 3.33Å; V250-I254 PolarHBondContact O-N 3.23Å; Y251-I254 PolarHBondContact O-N 2.98Å; Y251-I254 VanDerWaalsContact O-N 3.13Å; N252-I254 VanDerWaalsContact C-N 3.28Å; N252-I254 PolarHBondContact O-N 3.2Å; I254-E256 VanDerWaalsContact C-N 3.34Å; I254-E256 PolarHBondContact O-N 3.09Å; I254-R257 PolarHBondContact O-N 3.39Å; I254-M258 HydrophobicContact CG2-CE 3.81Å; I254-M258 HydrophobicContact CG2-CG 4.48Å; I254-M258 HydrophobicContact CG2-SD 4.29Å; I254-M258 WeakPolarHBondContact O-CG 3.44Å; I254-M258 PolarHBondContact O-N 3Å |
| 255 | R | 88.4 | Confident | 80.9 | Confident | 66 Ų | 66 | 88.2 Ų | 88.2 | 25% | 0.249 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -62.5 | -37.7 | -176.8 | -177.2 | 57 | 178.3 | 81.2 | 4.2 | 113.3 | D228 Y251 N252 R257 M258 | D228-R255 IonicContact OD1-CZ 3.83Å; D228-R255 IonicContact OD1-NE 3.19Å; D228-R255 PolarHBondContact OD1-NE 3.14Å; D228-R255 IonicContact OD1-NH2 3.67Å; D228-R255 IonicContact OD2-NE 2.81Å; D228-R255 IonicContact OD2-NH2 3.49Å; D228-R255 PolarHBondContact OD2-NH2 3.46Å; Y251-R255 HydrophobicContact CE1-CB 4.14Å; Y251-R255 HydrophobicContact CE1-CG 4.19Å; Y251-R255 HydrophobicContact CE2-CB 4.33Å; Y251-R255 VanDerWaalsContact O-CB 3.28Å; Y251-R255 WeakPolarHBondContact O-CB 3.49Å; Y251-R255 PolarHBondContact O-N 3.27Å; N252-R255 PolarHBondContact O-N 2.87Å; N252-R255 VanDerWaalsContact O-N 3.15Å; R255-R257 VanDerWaalsContact C-N 3.33Å; R255-M258 HydrophobicContact CB-CE 4.37Å; R255-M258 PolarHBondContact O-N 3.49Å |
| 256 | E | 85.3 | Confident | 81.2 | Confident | 148 Ų | 148 | 85 Ų | 85 | 69% | 0.692 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61.7 | -41.1 | 175.5 | -75.2 | 173.1 | -177.7 | 0 | 0 | 111.6 | N252 I254 M258 | N252-E256 WeakPolarHBondContact O-CG 3.18Å; N252-E256 PolarHBondContact O-N 3.49Å; I254-E256 VanDerWaalsContact C-N 3.34Å; I254-E256 PolarHBondContact O-N 3.09Å; E256-M258 PolarHBondContact O-N 3.43Å |
| 257 | R | 82.1 | Confident | 81.2 | Confident | 194 Ų | 194 | 82.1 Ų | 82.1 | 73% | 0.732 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -72.3 | -28.9 | -178.9 | -62.1 | 178 | -175.3 | -175.2 | 0.7 | 113.3 | I254 R255 G259 L260 | I254-R257 PolarHBondContact O-N 3.39Å; R255-R257 VanDerWaalsContact C-N 3.33Å; R257-G259 VanDerWaalsContact C-N 3.3Å; R257-G259 PolarHBondContact O-N 3.08Å; R257-L260 PolarHBondContact O-N 2.95Å |
| 258 | M | 80.1 | Confident | 81.3 | Confident | 54 Ų | 54 | 83.8 Ų | 83.8 | 27% | 0.266 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -74.2 | -15.6 | -176 | -71.9 | -174.3 | -75.1 | 0 | 0 | 114.3 | Q220 L224 L227 I254 R255 E256 L260 | Q220-M258 PolarHBondContact NE2-O 2.97Å; L224-M258 HydrophobicContact CD2-CB 3.8Å; L224-M258 HydrophobicContact CD2-CE 4.47Å; L224-M258 HydrophobicContact CD2-SD 4.34Å; L227-M258 HydrophobicContact CD2-CE 3.46Å; L227-M258 VanDerWaalsContact CD2-CE 3.46Å; L227-M258 HydrophobicContact CD2-SD 4.08Å; I254-M258 HydrophobicContact CG2-CE 3.81Å; I254-M258 HydrophobicContact CG2-CG 4.48Å; I254-M258 HydrophobicContact CG2-SD 4.29Å; I254-M258 WeakPolarHBondContact O-CG 3.44Å; I254-M258 PolarHBondContact O-N 3Å; R255-M258 HydrophobicContact CB-CE 4.37Å; R255-M258 PolarHBondContact O-N 3.49Å; E256-M258 PolarHBondContact O-N 3.43Å; M258-L260 VanDerWaalsContact C-N 3.33Å |
| 259 | G | 72.8 | Confident | 81.3 | Confident | 42 Ų | 42 | 81.9 Ų | 81.9 | 43% | 0.433 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -79.3 | -12.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | R257 | R257-G259 VanDerWaalsContact C-N 3.3Å; R257-G259 PolarHBondContact O-N 3.08Å |
| 260 | L | 68.2 | Low | 81.3 | Confident | 140 Ų | 140 | 79.4 Ų | 79.4 | 73% | 0.733 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -93.3 | 8.9 | -168.5 | -60.9 | 172.9 | 0 | 0 | 0 | 114.3 | R257 M258 P262 | R257-L260 PolarHBondContact O-N 2.95Å; M258-L260 VanDerWaalsContact C-N 3.33Å; L260-P262 VanDerWaalsContact O-CD 3.26Å; L260-P262 WeakPolarHBondContact O-CD 3.46Å |
| 261 | I | 67.2 | Low | 81.3 | Confident | 104 Ų | 104 | 77.9 Ų | 77.9 | 53% | 0.533 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 117.9 | -174.8 | -56.1 | 174.7 | 0 | 0 | 0 | 108.8 | Y263 | I261-Y263 PolarHBondContact O-N 3.43Š|
| 262 | P | 69.8 | Low | 81.1 | Confident | 115 Ų | 115 | 77.7 Ų | 77.7 | 75% | 0.747 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 136.2 | 176.5 | 27 | -32.9 | 0 | 0 | 0 | 110.3 | L260 | L260-P262 VanDerWaalsContact O-CD 3.26Å; L260-P262 WeakPolarHBondContact O-CD 3.46Å |
| 263 | Y | 68.6 | Low | 80.9 | Confident | 66 Ų | 66 | 76.6 Ų | 76.6 | 26% | 0.259 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -80.9 | 159.4 | 178.5 | -63.7 | -66.8 | 0 | 0 | 0 | 111.5 | Q213 S217 Q220 I261 G265 | Q213-Y263 HydrophobicContact CG-CD2 4.41Å; Q213-Y263 HydrophobicContact CG-CG 4.35Å; S217-Y263 WeakPolarHBondContact CA-OH 3.24Å; S217-Y263 PolarHBondContact OG-OH 2.97Å; Q220-Y263 HydrophobicContact CB-CE1 4.31Å; Q220-Y263 PolarHBondContact OE1-OH 3.33Å; I261-Y263 PolarHBondContact O-N 3.43Å; Y263-G265 PolarHBondContact O-N 3.04Å |
| 264 | P | 72.1 | Confident | 80.6 | Confident | 30 Ų | 30 | 74.1 Ų | 74.1 | 20% | 0.195 | 40% | 0.396 | C | S | . | . | trans | -60.9 | 108.9 | 179.6 | 24.6 | -34.3 | 0 | 0 | 0 | 110.7 | L212 Y216 N268 | L212-P264 HydrophobicContact CB-CG 4.01Å; Y216-P264 HydrophobicContact CD2-CG 3.7Å; Y216-P264 HydrophobicContact CE2-CG 4.08Å; Y216-P264 HydrophobicContact CG-CG 4.39Å; P264-N268 HydrophobicContact CB-CB 3.82Å | ||
| 265 | G | 82 | Confident | 80.2 | Confident | 22 Ų | 22 | 72.7 Ų | 72.7 | 23% | 0.227 | 39% | 0.389 | C | S | . | . | trans | -85.3 | -175.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y263 P267 N268 V269 | Y263-G265 PolarHBondContact O-N 3.04Å; G265-P267 VanDerWaalsContact C-CD 3.42Å; G265-P267 VanDerWaalsContact C-N 3.29Å; G265-N268 PolarHBondContact N-OD1 3.24Å; G265-N268 WeakPolarHBondContact O-CB 3.45Å; G265-N268 PolarHBondContact O-N 2.94Å; G265-V269 PolarHBondContact O-N 3.4Å; G265-V269 VanDerWaalsContact O-N 3.13Å | ||
| 266 | I | 89.5 | Confident | 79.4 | Confident | 67 Ų | 67 | 75.2 Ų | 75.2 | 34% | 0.344 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -51.3 | -44.5 | 175 | -58.6 | 166.4 | 0 | 0 | 0 | 111.7 | W202 I205 I206 A209 N268 V269 L270 | W202-I266 HydrophobicContact CZ3-CG2 4.32Å; I205-I266 HydrophobicContact CG2-CG2 4.31Å; I206-I266 HydrophobicContact CG1-CD1 3.91Å; I206-I266 HydrophobicContact CG1-CG1 4.49Å; A209-I266 HydrophobicContact CB-CG1 4.02Å; I266-N268 VanDerWaalsContact C-N 3.29Å; I266-N268 PolarHBondContact O-N 3.46Å; I266-V269 PolarHBondContact O-N 2.97Å; I266-L270 HydrophobicContact CG2-CD1 4.05Å; I266-L270 HydrophobicContact CG2-CG 4.37Å; I266-L270 WeakPolarHBondContact O-CG 3.38Å; I266-L270 PolarHBondContact O-N 2.97Å |
| 267 | P | 86.4 | Confident | 78.3 | Confident | 96 Ų | 96 | 69.8 Ų | 69.8 | 62% | 0.623 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -60.2 | -37.6 | 177.9 | -24.3 | 35.7 | 0 | 0 | 0 | 113.2 | G265 L270 A271 | G265-P267 VanDerWaalsContact C-CD 3.42Å; G265-P267 VanDerWaalsContact C-N 3.29Å; P267-L270 PolarHBondContact O-N 3.31Å; P267-A271 VanDerWaalsContact O-CB 3.29Å; P267-A271 WeakPolarHBondContact O-CB 3.49Å; P267-A271 PolarHBondContact O-N 3.46Å |
| 268 | N | 84.6 | Confident | 76.9 | Confident | 91 Ų | 91 | 67 Ų | 67 | 49% | 0.487 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68.5 | -36.9 | 178.6 | -59.3 | 92.1 | 0 | 0 | 0 | 111.9 | P264 G265 I266 A271 V272 | P264-N268 HydrophobicContact CB-CB 3.82Å; G265-N268 PolarHBondContact N-OD1 3.24Å; G265-N268 WeakPolarHBondContact O-CB 3.45Å; G265-N268 PolarHBondContact O-N 2.94Å; I266-N268 VanDerWaalsContact C-N 3.29Å; I266-N268 PolarHBondContact O-N 3.46Å; N268-A271 PolarHBondContact O-N 3.23Å; N268-V272 VanDerWaalsContact O-CG2 3.25Å; N268-V272 WeakPolarHBondContact O-CG2 3.45Å |
| 269 | V | 86.7 | Confident | 75.7 | Confident | 4 Ų | 4 | 72.2 Ų | 72.2 | 2% | 0.024 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.6 | -39.3 | 175.8 | 177 | 0 | 0 | 0 | 0 | 111.1 | I192 I205 I208 A209 L212 G265 I266 A271 V272 | I192-V269 HydrophobicContact CD1-CG1 3.75Å; I205-V269 HydrophobicContact CG2-CG1 4.09Å; I208-V269 HydrophobicContact CG2-CG1 4.34Å; A209-V269 HydrophobicContact CB-CG2 3.9Å; L212-V269 HydrophobicContact CD1-CG2 3.99Å; G265-V269 PolarHBondContact O-N 3.4Å; G265-V269 VanDerWaalsContact O-N 3.13Å; I266-V269 PolarHBondContact O-N 2.97Å; V269-A271 VanDerWaalsContact C-N 3.33Å; V269-V272 WeakPolarHBondContact O-CG2 3.23Å |
| 270 | L | 87.6 | Confident | 75 | Confident | 31 Ų | 31 | 75.8 Ų | 75.8 | 16% | 0.162 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -72.2 | -27.6 | 176.3 | -65.4 | 175.7 | 0 | 0 | 0 | 113 | I192 L194 W202 I205 I266 P267 V272 | I192-L270 HydrophobicContact CG2-CD2 4.27Å; L194-L270 HydrophobicContact CD2-CB 4.26Å; L194-L270 HydrophobicContact CD2-CD2 4.36Å; W202-L270 HydrophobicContact CH2-CD1 3.88Å; W202-L270 HydrophobicContact CH2-CD2 4.35Å; W202-L270 HydrophobicContact CZ3-CD1 4Å; W202-L270 HydrophobicContact CZ3-CD2 4.29Å; I205-L270 HydrophobicContact CD1-CD2 4.2Å; I205-L270 HydrophobicContact CG2-CD2 4.31Å; I266-L270 HydrophobicContact CG2-CD1 4.05Å; I266-L270 HydrophobicContact CG2-CG 4.37Å; I266-L270 WeakPolarHBondContact O-CG 3.38Å; I266-L270 PolarHBondContact O-N 2.97Å; P267-L270 PolarHBondContact O-N 3.31Å; L270-V272 VanDerWaalsContact C-N 3.27Å; L270-V272 PolarHBondContact O-N 2.91Å |
| 271 | A | 85.7 | Confident | 74.5 | Confident | 53 Ų | 53 | 74.6 Ų | 74.6 | 44% | 0.438 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | P267 N268 V269 R273 | P267-A271 VanDerWaalsContact O-CB 3.29Å; P267-A271 WeakPolarHBondContact O-CB 3.49Å; P267-A271 PolarHBondContact O-N 3.46Å; N268-A271 PolarHBondContact O-N 3.23Å; V269-A271 VanDerWaalsContact C-N 3.33Å; A271-R273 PolarHBondContact O-N 3.15Å |
| 272 | V | 83.4 | Confident | 74 | Confident | 29 Ų | 29 | 75.4 Ų | 75.4 | 18% | 0.176 | 40% | 0.402 | C | S | . | . | trans | -65.4 | 132.1 | -175.7 | -167.8 | 0 | 0 | 0 | 0 | 110.7 | I191 N268 V269 L270 I277 F326 | I191-V272 HydrophobicContact CD1-CB 3.98Å; I191-V272 HydrophobicContact CD1-CG1 3.37Å; I191-V272 PolarHBondContact N-O 2.98Å; N268-V272 VanDerWaalsContact O-CG2 3.25Å; N268-V272 WeakPolarHBondContact O-CG2 3.45Å; V269-V272 WeakPolarHBondContact O-CG2 3.23Å; L270-V272 VanDerWaalsContact C-N 3.27Å; L270-V272 PolarHBondContact O-N 2.91Å; V272-I277 HydrophobicContact CG1-CG1 4.16Å; V272-F326 HydrophobicContact CG2-CZ 4.43Å | ||
| 273 | R | 85.6 | Confident | 73.4 | Confident | 51 Ų | 51 | 75.8 Ų | 75.8 | 19% | 0.192 | 40% | 0.402 | C | S | . | . | B | Isolated β-bridge | trans | -116.5 | 152.5 | 176.8 | -53.3 | -60.9 | -173.3 | -147.7 | 3.2 | 111 | M187 K189 S190 I191 A271 N275 M276 | M187-R273 WeakPolarHBondContact O-CB 3.33Å; M187-R273 VanDerWaalsContact O-CG 3.28Å; M187-R273 WeakPolarHBondContact O-CG 3.35Å; K189-R273 VanDerWaalsContact O-CA 3.28Å; K189-R273 WeakPolarHBondContact O-CA 3.22Å; S190-R273 PolarHBondContact OG-NH1 3.47Å; I191-R273 WeakPolarHBondContact CD1-O 3.46Å; A271-R273 PolarHBondContact O-N 3.15Å; R273-N275 VanDerWaalsContact C-N 3.26Å; R273-N275 VanDerWaalsContact CB-OD1 3.3Å; R273-N275 WeakPolarHBondContact CB-OD1 3.24Å; R273-N275 PolarHBondContact O-N 3.43Å; R273-M276 HydrophobicContact CB-CG 4.1Å; R273-M276 HydrophobicContact CB-SD 4.11Å; R273-M276 HydrophobicContact CG-SD 4.14Å; R273-M276 WeakPolarHBondContact O-CB 3.49Å; R273-M276 PolarHBondContact O-N 3.34Å |
| 274 | D | 81.3 | Confident | 72.8 | Confident | 62 Ų | 62 | 74.6 Ų | 74.6 | 33% | 0.332 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -55.6 | -38.6 | -179.6 | 59.3 | -5.7 | 0 | 0 | 0 | 113.4 | G188 K189 I191 M276 | G188-D274 VanDerWaalsContact CA-OD1 3.25Å; G188-D274 WeakPolarHBondContact CA-OD1 3.5Å; K189-D274 WeakPolarHBondContact CB-OD2 3.3Å; K189-D274 PolarHBondContact N-OD1 3.31Å; K189-D274 PolarHBondContact O-N 3.11Å; I191-D274 HydrophobicContact CG1-CB 4.44Å; D274-M276 VanDerWaalsContact C-N 3.3Å; D274-M276 PolarHBondContact O-N 3.25Å |
| 275 | N | 76.5 | Confident | 72.2 | Confident | 62 Ų | 62 | 74.2 Ų | 74.2 | 33% | 0.332 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -76 | -10 | 178.6 | 69.3 | -10.8 | 0 | 0 | 0 | 114.5 | H186 M187 G188 R273 | H186-N275 PolarHBondContact O-ND2 3.32Å; M187-N275 PolarHBondContact O-ND2 3.36Å; M187-N275 PolarHBondContact O-OD1 3.33Å; M187-N275 VanDerWaalsContact O-OD1 3.06Å; G188-N275 PolarHBondContact N-ND2 3.18Å; R273-N275 VanDerWaalsContact C-N 3.26Å; R273-N275 VanDerWaalsContact CB-OD1 3.3Å; R273-N275 WeakPolarHBondContact CB-OD1 3.24Å; R273-N275 PolarHBondContact O-N 3.43Å |
| 276 | M | 70.9 | Confident | 71.2 | Confident | 118 Ų | 118 | 76.2 Ų | 76.2 | 58% | 0.581 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -89.2 | -29.4 | 177.3 | -64.9 | 178.4 | 72.2 | 0 | 0 | 112.5 | R273 D274 L278 Q279 | R273-M276 HydrophobicContact CB-CG 4.1Å; R273-M276 HydrophobicContact CB-SD 4.11Å; R273-M276 HydrophobicContact CG-SD 4.14Å; R273-M276 WeakPolarHBondContact O-CB 3.49Å; R273-M276 PolarHBondContact O-N 3.34Å; D274-M276 VanDerWaalsContact C-N 3.3Å; D274-M276 PolarHBondContact O-N 3.25Å; M276-L278 VanDerWaalsContact C-N 3.32Å; M276-L278 PolarHBondContact O-N 2.98Å; M276-Q279 PolarHBondContact O-N 3.42Å |
| 277 | I | 63 | Low | 70.1 | Confident | 35 Ų | 35 | 78.6 Ų | 78.6 | 18% | 0.179 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -60.7 | -42 | -177.2 | -74.5 | 171.8 | 0 | 0 | 0 | 111.8 | I191 V272 Q279 I329 | I191-I277 HydrophobicContact CD1-CD1 3.29Å; I191-I277 HydrophobicContact CD1-CG1 3.97Å; I191-I277 HydrophobicContact CG1-CD1 4.15Å; V272-I277 HydrophobicContact CG1-CG1 4.16Å; I277-Q279 VanDerWaalsContact C-N 3.32Å; I277-Q279 PolarHBondContact O-N 3.15Å; I277-I329 HydrophobicContact CB-CD1 4.27Å; I277-I329 HydrophobicContact CG1-CD1 4.21Å; I277-I329 HydrophobicContact CG2-CD1 3.43Å; I277-I329 VanDerWaalsContact CG2-CD1 3.43Å; I277-I329 HydrophobicContact CG2-CG1 4.04Å |
| 278 | L | 52.1 | Low | 68.9 | Low | 134 Ų | 134 | 76.2 Ų | 76.2 | 70% | 0.702 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -1.7 | -170.3 | -63.5 | 175.4 | 0 | 0 | 0 | 113.7 | M276 I280 | M276-L278 VanDerWaalsContact C-N 3.32Å; M276-L278 PolarHBondContact O-N 2.98Å; L278-I280 PolarHBondContact O-N 2.87Å |
| 279 | Q | 56.5 | Low | 68 | Low | 165 Ų | 165 | 75.5 Ų | 75.5 | 77% | 0.771 | 41% | 0.405 | S | S | * | . | trans | -77.9 | 64 | 172.5 | -66.7 | -159.2 | 6 | 0 | 0 | 110.7 | M276 I277 E281 | M276-Q279 PolarHBondContact O-N 3.42Å; I277-Q279 VanDerWaalsContact C-N 3.32Å; I277-Q279 PolarHBondContact O-N 3.15Å; Q279-E281 PolarHBondContact O-N 3.06Å | ||
| 280 | I | 57.7 | Low | 66.8 | Low | 117 Ų | 117 | 83 Ų | 83 | 60% | 0.6 | 43% | 0.432 | S | S | * | . | trans | -75.1 | 80.9 | 163.5 | -53.9 | 174.4 | 0 | 0 | 0 | 106.3 | L278 K282 | L278-I280 PolarHBondContact O-N 2.87Å; I280-K282 PolarHBondContact O-N 3.49Å | ||
| 281 | E | 57.6 | Low | 65.7 | Low | 115 Ų | 115 | 90.4 Ų | 90.4 | 54% | 0.537 | 46% | 0.459 | S | S | . | . | trans | -65.7 | 104.6 | 167.8 | -168.7 | 173.1 | 177.8 | 0 | 0 | 107.7 | Q279 T283 N287 A288 | Q279-E281 PolarHBondContact O-N 3.06Å; E281-T283 PolarHBondContact O-N 3.36Å; E281-N287 WeakPolarHBondContact OE1-CB 3.09Å; E281-A288 PolarHBondContact OE1-N 3.45Å | ||
| 282 | K | 57.4 | Low | 64.8 | Low | 121 Ų | 121 | 90.8 Ų | 90.8 | 53% | 0.526 | 46% | 0.456 | S | S | . | . | trans | -57.8 | 132.6 | 174.9 | -66.3 | -178.3 | -178.8 | 177.4 | 0 | 107.6 | I280 S284 G285 | I280-K282 PolarHBondContact O-N 3.49Å; K282-S284 PolarHBondContact O-N 3.27Å; K282-S284 VanDerWaalsContact O-N 3.07Å; K282-G285 WeakPolarHBondContact O-CA 3.31Å; K282-G285 PolarHBondContact O-N 3.4Å | ||
| 283 | T | 56.5 | Low | 63.5 | Low | 123 Ų | 123 | 92.8 Ų | 92.8 | 76% | 0.755 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -20.2 | 172.9 | 53.8 | 0 | 0 | 0 | 0 | 112.6 | E281 | E281-T283 PolarHBondContact O-N 3.36Š|
| 284 | S | 55.5 | Low | 62.4 | Low | 41 Ų | 41 | 93.7 Ų | 93.7 | 29% | 0.287 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 3.1 | 170.4 | 63.2 | 0 | 0 | 0 | 0 | 114.4 | K282 | K282-S284 PolarHBondContact O-N 3.27Å; K282-S284 VanDerWaalsContact O-N 3.07Å |
| 285 | G | 59.3 | Low | 61.3 | Low | 21 Ų | 21 | 98.8 Ų | 98.8 | 22% | 0.216 | 51% | 0.507 | C | S | . | . | S | Bend | trans | -68.8 | 154.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112 | K282 N287 A288 R289 | K282-G285 WeakPolarHBondContact O-CA 3.31Å; K282-G285 PolarHBondContact O-N 3.4Å; G285-N287 VanDerWaalsContact C-N 3.27Å; G285-N287 PolarHBondContact O-N 3.49Å; G285-A288 PolarHBondContact O-N 2.88Å; G285-R289 WeakPolarHBondContact O-CB 3.19Å; G285-R289 PolarHBondContact O-N 3.47Å |
| 286 | T | 62.3 | Low | 60.3 | Low | 64 Ų | 64 | 104.1 Ų | 104.1 | 39% | 0.393 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.9 | -37.2 | -177.3 | -48.8 | 0 | 0 | 0 | 0 | 112.2 | R289 R290 | T286-R289 CarbonylContact O-C 3.48Å; T286-R289 PolarHBondContact O-N 3.25Å; T286-R290 WeakPolarHBondContact O-CA 3.45Å; T286-R290 WeakPolarHBondContact O-CB 3.33Å; T286-R290 PolarHBondContact O-N 3.13Å |
| 287 | N | 64.9 | Low | 59.9 | Low | 118 Ų | 118 | 101.6 Ų | 101.6 | 63% | 0.631 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.8 | -55.7 | 178.1 | -75.3 | -5.8 | 0 | 0 | 0 | 111.4 | E281 G285 R289 R290 | E281-N287 WeakPolarHBondContact OE1-CB 3.09Å; G285-N287 VanDerWaalsContact C-N 3.27Å; G285-N287 PolarHBondContact O-N 3.49Å; N287-R289 PolarHBondContact O-N 3.46Å; N287-R290 VanDerWaalsContact O-CB 3.27Å; N287-R290 WeakPolarHBondContact O-CB 3.35Å; N287-R290 PolarHBondContact O-N 2.91Å |
| 288 | A | 62.2 | Low | 59.6 | Low | 45 Ų | 45 | 107.4 Ų | 107.4 | 37% | 0.372 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -52.9 | -35.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E281 G285 | E281-A288 PolarHBondContact OE1-N 3.45Å; G285-A288 PolarHBondContact O-N 2.88Å |
| 289 | R | 65.3 | Low | 60 | Low | 77 Ų | 77 | 107.3 Ų | 107.3 | 29% | 0.291 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -89.7 | -8 | 179.9 | -69.2 | -171.6 | 163.2 | -161.1 | -5.1 | 114.7 | G285 T286 N287 Y291 T292 L300 | G285-R289 WeakPolarHBondContact O-CB 3.19Å; G285-R289 PolarHBondContact O-N 3.47Å; T286-R289 CarbonylContact O-C 3.48Å; T286-R289 PolarHBondContact O-N 3.25Å; N287-R289 PolarHBondContact O-N 3.46Å; R289-Y291 PolarHBondContact O-N 3.11Å; R289-T292 WeakPolarHBondContact CA-OG1 3.24Å; R289-T292 WeakPolarHBondContact CB-OG1 3.41Å; R289-T292 PolarHBondContact O-N 3.15Å; R289-T292 PolarHBondContact O-OG1 3.39Å; R289-L300 HydrophobicContact CB-CD2 3.74Å; R289-L300 WeakPolarHBondContact O-CD2 3.36Å |
| 290 | R | 62.7 | Low | 60 | Low | 160 Ų | 160 | 102.5 Ų | 102.5 | 60% | 0.604 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -33.1 | -171.8 | -171.8 | 177.5 | -179.2 | -177.6 | 0.3 | 113.3 | T286 N287 | T286-R290 WeakPolarHBondContact O-CA 3.45Å; T286-R290 WeakPolarHBondContact O-CB 3.33Å; T286-R290 PolarHBondContact O-N 3.13Å; N287-R290 VanDerWaalsContact O-CB 3.27Å; N287-R290 WeakPolarHBondContact O-CB 3.35Å; N287-R290 PolarHBondContact O-N 2.91Å |
| 291 | Y | 64.1 | Low | 59.6 | Low | 187 Ų | 187 | 102.4 Ų | 102.4 | 73% | 0.733 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | 12 | -179.1 | -53 | -71.8 | 0 | 0 | 0 | 113.6 | R289 | R289-Y291 PolarHBondContact O-N 3.11Š|
| 292 | T | 66 | Low | 59 | Low | 61 Ų | 61 | 99.3 Ų | 99.3 | 37% | 0.374 | 52% | 0.524 | S | S | . | . | trans | -95.1 | 3.2 | 179.8 | 66.6 | 0 | 0 | 0 | 0 | 113.1 | R289 C294 | R289-T292 WeakPolarHBondContact CA-OG1 3.24Å; R289-T292 WeakPolarHBondContact CB-OG1 3.41Å; R289-T292 PolarHBondContact O-N 3.15Å; R289-T292 PolarHBondContact O-OG1 3.39Å; T292-C294 PolarHBondContact O-N 3.41Å | ||
| 293 | S | 56.6 | Low | 58.3 | Low | 71 Ų | 71 | 102.8 Ų | 102.8 | 50% | 0.497 | 54% | 0.539 | S | S | . | . | trans | -66 | 121 | 173.6 | 60.6 | 0 | 0 | 0 | 0 | 109.6 | N297 | S293-N297 WeakPolarHBondContact CA-O 3.45Š| ||
| 294 | C | 62 | Low | 57.5 | Low | 70 Ų | 70 | 102.7 Ų | 102.7 | 47% | 0.473 | 54% | 0.538 | S | S | . | . | trans | -136.4 | 174.1 | 173.2 | 65 | 0 | 0 | 0 | 0 | 109.2 | T292 L296 N297 K298 | T292-C294 PolarHBondContact O-N 3.41Å; C294-L296 PolarHBondContact O-N 2.88Å; C294-L296 VanDerWaalsContact O-N 3.08Å; C294-N297 PolarHBondContact N-O 3.01Å; C294-N297 CarbonylContact O-C 3.59Å; C294-N297 PolarHBondContact O-N 3.49Å; C294-N297 PolarHBondContact SG-N 2.81Å; C294-K298 PolarHBondContact O-N 2.78Å | ||
| 295 | E | 59.1 | Low | 56.4 | Low | 170 Ų | 170 | 107.2 Ų | 107.2 | 79% | 0.794 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -57.7 | -28.7 | -176.8 | -165.9 | 171.4 | -169.7 | 0 | 0 | 113.2 | K298 | E295-K298 WeakPolarHBondContact O-CE 3.43Š|
| 296 | L | 54 | Low | 55.4 | Low | 174 Ų | 174 | 109.4 Ų | 109.4 | 91% | 0.911 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -82.9 | -32.9 | 174 | -67.5 | 168.6 | 0 | 0 | 0 | 113.3 | C294 | C294-L296 PolarHBondContact O-N 2.88Å; C294-L296 VanDerWaalsContact O-N 3.08Å |
| 297 | N | 62.4 | Low | 53.9 | Low | 64 Ų | 64 | 113.5 Ų | 113.5 | 34% | 0.342 | 59% | 0.593 | S | S | . | * | trans | -118.2 | 70 | -176.3 | -169.4 | 27.3 | 0 | 0 | 0 | 110.3 | S293 C294 | S293-N297 WeakPolarHBondContact CA-O 3.45Å; C294-N297 PolarHBondContact N-O 3.01Å; C294-N297 CarbonylContact O-C 3.59Å; C294-N297 PolarHBondContact O-N 3.49Å; C294-N297 PolarHBondContact SG-N 2.81Å | ||
| 298 | K | 57.7 | Low | 52.4 | Low | 157 Ų | 157 | 111.8 Ų | 111.8 | 68% | 0.683 | 60% | 0.595 | S | S | * | * | trans | -75.7 | -25.2 | -176 | -61.6 | -176.2 | -176.5 | -178.7 | 0 | 113.3 | C294 E295 | C294-K298 PolarHBondContact O-N 2.78Å; E295-K298 WeakPolarHBondContact O-CE 3.43Å | ||
| 299 | I | 60.1 | Low | 51 | Low | 132 Ų | 132 | 118.6 Ų | 118.6 | 68% | 0.677 | 62% | 0.617 | S | S | * | * | trans | -101.9 | 110.8 | -170.9 | -55.4 | 173 | 0 | 0 | 0 | 110 | I301 | I299-I301 PolarHBondContact O-N 2.75Š| ||
| 300 | L | 56.6 | Low | 49.6 | Very low | 65 Ų | 65 | 124.2 Ų | 124.2 | 34% | 0.34 | 64% | 0.644 | S | S | . | * | trans | -84.9 | 105.3 | 167.5 | -65 | 169.6 | 0 | 0 | 0 | 108.3 | R289 G302 | R289-L300 HydrophobicContact CB-CD2 3.74Å; R289-L300 WeakPolarHBondContact O-CD2 3.36Å; L300-G302 PolarHBondContact O-N 2.94Å; L300-G302 VanDerWaalsContact O-N 3.14Å | ||
| 301 | I | 50.3 | Low | 48.1 | Very low | 115 Ų | 115 | 120.7 Ų | 120.7 | 59% | 0.59 | 64% | 0.642 | S | S | * | * | trans | -58.3 | 120.2 | 174.8 | -60.9 | 168.9 | 0 | 0 | 0 | 108.1 | I299 | I299-I301 PolarHBondContact O-N 2.75Š| ||
| 302 | G | 44.9 | Very low | 46.9 | Very low | 50 Ų | 50 | 116.8 Ų | 116.8 | 52% | 0.515 | 64% | 0.639 | S | S | . | * | trans | -64.2 | 175.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | L300 V304 | L300-G302 PolarHBondContact O-N 2.94Å; L300-G302 VanDerWaalsContact O-N 3.14Å; G302-V304 PolarHBondContact O-N 3.49Å | ||
| 303 | K | 41.3 | Very low | 45.5 | Very low | 194 Ų | 194 | 119.6 Ų | 119.6 | 84% | 0.843 | 66% | 0.656 | S | S | * | * | trans | -58.8 | 101.3 | -176.7 | -161.8 | 179.1 | -173.3 | -179.9 | 0 | 111 | ||||
| 304 | V | 40.6 | Very low | 45 | Very low | 120 Ų | 120 | 125.4 Ų | 125.4 | 73% | 0.727 | 68% | 0.676 | S | S | * | * | trans | -81.9 | 120.2 | 168.4 | -179.2 | 0 | 0 | 0 | 0 | 108.2 | G302 A306 | G302-V304 PolarHBondContact O-N 3.49Å; V304-A306 PolarHBondContact O-N 2.95Å | ||
| 305 | I | 32.8 | Very low | 44.1 | Very low | 136 Ų | 136 | 129 Ų | 129 | 70% | 0.697 | 69% | 0.69 | S | S | * | * | trans | -71.5 | 96.5 | 179.3 | -50.3 | 171.3 | 0 | 0 | 0 | 107.9 | N307 | I305-N307 VanDerWaalsContact CG2-OD1 3.28Å; I305-N307 WeakPolarHBondContact CG2-OD1 3.2Å; I305-N307 PolarHBondContact O-N 3.48Å | ||
| 306 | A | 37.9 | Very low | 43.4 | Very low | 68 Ų | 68 | 126.3 Ų | 126.3 | 56% | 0.562 | 68% | 0.681 | S | S | * | * | trans | -87.2 | 88.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | V304 A308 | V304-A306 PolarHBondContact O-N 2.95Å; A306-A308 PolarHBondContact O-N 2.76Å | ||
| 307 | N | 30.3 | Very low | 42.9 | Very low | 149 Ų | 149 | 124.7 Ų | 124.7 | 80% | 0.797 | 68% | 0.679 | S | S | * | * | trans | -69.6 | 101.1 | 169.2 | -72.8 | -18.7 | 0 | 0 | 0 | 109.2 | I305 | I305-N307 VanDerWaalsContact CG2-OD1 3.28Å; I305-N307 WeakPolarHBondContact CG2-OD1 3.2Å; I305-N307 PolarHBondContact O-N 3.48Å | ||
| 308 | A | 33.5 | Very low | 42.1 | Very low | 82 Ų | 82 | 126.4 Ų | 126.4 | 68% | 0.678 | 69% | 0.688 | S | S | * | * | trans | -150.7 | 75.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | A306 | A306-A308 PolarHBondContact O-N 2.76Š| ||
| 309 | F | 32.2 | Very low | 41.4 | Very low | 189 Ų | 189 | 122.5 Ų | 122.5 | 83% | 0.829 | 67% | 0.674 | S | S | * | * | trans | -85.5 | 105.4 | 174.3 | -165.5 | -96.2 | 0 | 0 | 0 | 106.9 | P311 | F309-P311 HydrophobicContact CD1-CB 4.47Å; F309-P311 HydrophobicContact CE1-CB 4.2Å; F309-P311 WeakPolarHBondContact O-CD 3.49Å | ||
| 310 | F | 36.1 | Very low | 40.6 | Very low | 194 Ų | 194 | 123.1 Ų | 123.1 | 85% | 0.851 | 68% | 0.678 | S | S | * | * | trans | -99.2 | 107.1 | 166.7 | -87.1 | -85.1 | 0 | 0 | 0 | 107.8 | ||||
| 311 | P | 32.3 | Very low | 40.2 | Very low | 87 Ų | 87 | 125.3 Ų | 125.3 | 57% | 0.565 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 144.3 | 175.5 | 30.3 | -31.3 | 0 | 0 | 0 | 110.4 | F309 | F309-P311 HydrophobicContact CD1-CB 4.47Å; F309-P311 HydrophobicContact CE1-CB 4.2Å; F309-P311 WeakPolarHBondContact O-CD 3.49Å |
| 312 | P | 37.3 | Very low | 40.1 | Very low | 104 Ų | 104 | 121.9 Ų | 121.9 | 68% | 0.675 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 137.9 | 177.2 | 29 | -31.4 | 0 | 0 | 0 | 111.1 | ||
| 313 | T | 37.8 | Very low | 40.2 | Very low | 120 Ų | 120 | 122 Ų | 122 | 74% | 0.736 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 140.9 | 170.4 | 48.8 | 0 | 0 | 0 | 0 | 110.5 | N315 | T313-N315 VanDerWaalsContact C-N 3.29Å; T313-N315 PolarHBondContact O-N 2.99Å |
| 314 | E | 45.7 | Very low | 40.4 | Very low | 194 Ų | 194 | 114.6 Ų | 114.6 | 91% | 0.907 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 3.6 | -157.1 | -153.3 | 164.7 | -164.3 | 0 | 0 | 116.8 | ||
| 315 | N | 43.9 | Very low | 40.7 | Very low | 144 Ų | 144 | 112.7 Ų | 112.7 | 77% | 0.77 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.1 | 5.2 | -160.2 | -88.5 | -2.3 | 0 | 0 | 0 | 119.9 | T313 | T313-N315 VanDerWaalsContact C-N 3.29Å; T313-N315 PolarHBondContact O-N 2.99Å |
| 316 | D | 42.7 | Very low | 41.2 | Very low | 114 Ų | 114 | 107.9 Ų | 107.9 | 61% | 0.61 | 58% | 0.584 | S | S | * | * | trans | -116.3 | 89.7 | 177.9 | -81.8 | -34.5 | 0 | 0 | 0 | 112.5 | D318 | D316-D318 PolarHBondContact O-N 3.04Å; D316-D318 VanDerWaalsContact O-N 3.15Å | ||
| 317 | T | 44.3 | Very low | 41.5 | Very low | 140 Ų | 140 | 109.1 Ų | 109.1 | 86% | 0.859 | 58% | 0.581 | S | S | * | * | trans | -76.1 | 21.6 | 173.4 | 47.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 318 | D | 45.8 | Very low | 41.9 | Very low | 100 Ų | 100 | 105 Ų | 105 | 54% | 0.535 | 56% | 0.564 | S | S | . | * | trans | -87.1 | 128.4 | -174.4 | -81.1 | -10.9 | 0 | 0 | 0 | 111.4 | D316 L320 Y321 | D316-D318 PolarHBondContact O-N 3.04Å; D316-D318 VanDerWaalsContact O-N 3.15Å; D318-L320 PolarHBondContact O-N 3.45Å; D318-Y321 WeakPolarHBondContact O-CA 3.5Å; D318-Y321 VanDerWaalsContact O-CB 3.3Å; D318-Y321 WeakPolarHBondContact O-CB 3.32Å; D318-Y321 PolarHBondContact O-N 2.79Å | ||
| 319 | L | 42.4 | Very low | 42.4 | Very low | 76 Ų | 76 | 103.5 Ų | 103.5 | 40% | 0.398 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -52.3 | -17.4 | 172.7 | -74.2 | 159.5 | 0 | 0 | 0 | 113.3 | Y321 I322 F323 | L319-Y321 VanDerWaalsContact C-N 3.34Å; L319-I322 HydrophobicContact CD2-CD1 3.86Å; L319-I322 WeakPolarHBondContact O-CB 3.06Å; L319-I322 PolarHBondContact O-N 3.34Å; L319-F323 PolarHBondContact O-N 3.04Å |
| 320 | L | 44.6 | Very low | 42.6 | Very low | 145 Ų | 145 | 95.4 Ų | 95.4 | 76% | 0.759 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.7 | -35 | 168.9 | -100.2 | 98.5 | 0 | 0 | 0 | 112.8 | D318 I322 F323 G324 | D318-L320 PolarHBondContact O-N 3.45Å; L320-I322 VanDerWaalsContact C-N 3.34Å; L320-F323 CarbonylContact O-C 3.14Å; L320-F323 PolarHBondContact O-N 3.15Å; L320-G324 PolarHBondContact O-N 2.74Å |
| 321 | Y | 48.4 | Very low | 42.4 | Very low | 110 Ų | 110 | 95.6 Ų | 95.6 | 43% | 0.431 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.5 | -39.4 | 173.4 | -148.4 | -104.9 | 0 | 0 | 0 | 110.2 | D318 L319 F323 G324 Y325 | D318-Y321 WeakPolarHBondContact O-CA 3.5Å; D318-Y321 VanDerWaalsContact O-CB 3.3Å; D318-Y321 WeakPolarHBondContact O-CB 3.32Å; D318-Y321 PolarHBondContact O-N 2.79Å; L319-Y321 VanDerWaalsContact C-N 3.34Å; Y321-F323 VanDerWaalsContact C-N 3.34Å; Y321-F323 PolarHBondContact O-N 2.98Å; Y321-G324 PolarHBondContact O-N 2.93Å; Y321-Y325 AromaticContact CD1-CD2 3.47Å; Y321-Y325 HydrophobicContact CD1-CD2 3.47Å; Y321-Y325 VanDerWaalsContact CD1-CD2 3.47Å; Y321-Y325 AromaticContact CD1-CE2 3.4Å; Y321-Y325 HydrophobicContact CD1-CE2 3.4Å; Y321-Y325 HydrophobicContact CD1-CG 4.43Å; Y321-Y325 AromaticContact CE1-CD2 3.51Å; Y321-Y325 HydrophobicContact CE1-CD2 3.51Å; Y321-Y325 AromaticContact CE1-CE2 2.87Å; Y321-Y325 HydrophobicContact CE1-CE2 2.87Å; Y321-Y325 AromaticContact CE1-CZ 3.45Å; Y321-Y325 VanDerWaalsContact CE1-CZ 3.45Å; Y321-Y325 HydrophobicContact CE2-CE2 4.16Å; Y321-Y325 HydrophobicContact CG-CD2 4.14Å; Y321-Y325 HydrophobicContact CG-CE2 4.24Å; Y321-Y325 AromaticContact CZ-CE2 3.3Å; Y321-Y325 VanDerWaalsContact O-CB 3.24Å; Y321-Y325 WeakPolarHBondContact O-CB 3.39Å; Y321-Y325 VanDerWaalsContact O-CD2 3.29Å; Y321-Y325 WeakPolarHBondContact O-CD2 3.43Å; Y321-Y325 PolarHBondContact O-N 3.32Å; Y321-Y325 PolarHBondContact OH-OH 3.3Å |
| 322 | I | 48 | Very low | 42.8 | Very low | 43 Ų | 43 | 95.3 Ų | 95.3 | 22% | 0.221 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -60.5 | -45.5 | 170.9 | -68.7 | 165.5 | 0 | 0 | 0 | 109.9 | I191 L319 L320 Y325 F326 | I191-I322 HydrophobicContact CG2-CD1 4Å; I191-I322 HydrophobicContact CG2-CG1 4.32Å; L319-I322 HydrophobicContact CD2-CD1 3.86Å; L319-I322 WeakPolarHBondContact O-CB 3.06Å; L319-I322 PolarHBondContact O-N 3.34Å; L320-I322 VanDerWaalsContact C-N 3.34Å; I322-Y325 PolarHBondContact O-N 3.48Å; I322-F326 HydrophobicContact CG2-CD2 3.57Å; I322-F326 HydrophobicContact CG2-CE2 3.71Å; I322-F326 WeakPolarHBondContact O-CB 3.39Å; I322-F326 VanDerWaalsContact O-CD2 3.28Å; I322-F326 WeakPolarHBondContact O-CD2 3.24Å; I322-F326 PolarHBondContact O-N 3.34Å |
| 323 | F | 45.5 | Very low | 42.6 | Very low | 54 Ų | 54 | 94.5 Ų | 94.5 | 24% | 0.237 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 176 | -118.5 | -86.7 | 0 | 0 | 0 | 112.8 | R207 I208 L211 L319 L320 Y321 Y325 F326 L327 | R207-F323 VanDerWaalsContact NH2-CE2 3.34Å; I208-F323 HydrophobicContact CD1-CD2 4.26Å; I208-F323 HydrophobicContact CD1-CE2 3.84Å; I208-F323 HydrophobicContact CG1-CD2 4.18Å; I208-F323 HydrophobicContact CG1-CE2 3.36Å; I208-F323 HydrophobicContact CG1-CZ 3.9Å; L211-F323 HydrophobicContact CD1-CE1 4.08Å; L211-F323 HydrophobicContact CD1-CZ 3.78Å; L319-F323 PolarHBondContact O-N 3.04Å; L320-F323 CarbonylContact O-C 3.14Å; L320-F323 PolarHBondContact O-N 3.15Å; Y321-F323 VanDerWaalsContact C-N 3.34Å; Y321-F323 PolarHBondContact O-N 2.98Å; F323-Y325 VanDerWaalsContact C-N 3.34Å; F323-F326 PolarHBondContact O-N 3.12Å; F323-L327 HydrophobicContact CD1-CD1 4.37Å; F323-L327 WeakPolarHBondContact O-CB 3.31Å; F323-L327 VanDerWaalsContact O-CG 3.27Å; F323-L327 WeakPolarHBondContact O-CG 3.41Å; F323-L327 PolarHBondContact O-N 3.28Å |
| 324 | G | 46.6 | Very low | 42.4 | Very low | 37 Ų | 37 | 95.6 Ų | 95.6 | 38% | 0.381 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.9 | -37 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L320 Y321 L327 S328 | L320-G324 PolarHBondContact O-N 2.74Å; Y321-G324 PolarHBondContact O-N 2.93Å; G324-L327 PolarHBondContact O-N 2.65Å; G324-S328 WeakPolarHBondContact O-CB 3.25Å; G324-S328 PolarHBondContact O-N 3.4Å; G324-S328 PolarHBondContact O-OG 3.22Å |
| 325 | Y | 46.2 | Very low | 42 | Very low | 81 Ų | 81 | 96.5 Ų | 96.5 | 32% | 0.318 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -71.4 | -42.9 | 173.8 | -94.3 | -111.4 | 0 | 0 | 0 | 111.9 | Y321 I322 F323 L327 S328 I329 | Y321-Y325 AromaticContact CD1-CD2 3.47Å; Y321-Y325 HydrophobicContact CD1-CD2 3.47Å; Y321-Y325 VanDerWaalsContact CD1-CD2 3.47Å; Y321-Y325 AromaticContact CD1-CE2 3.4Å; Y321-Y325 HydrophobicContact CD1-CE2 3.4Å; Y321-Y325 HydrophobicContact CD1-CG 4.43Å; Y321-Y325 AromaticContact CE1-CD2 3.51Å; Y321-Y325 HydrophobicContact CE1-CD2 3.51Å; Y321-Y325 AromaticContact CE1-CE2 2.87Å; Y321-Y325 HydrophobicContact CE1-CE2 2.87Å; Y321-Y325 AromaticContact CE1-CZ 3.45Å; Y321-Y325 VanDerWaalsContact CE1-CZ 3.45Å; Y321-Y325 HydrophobicContact CE2-CE2 4.16Å; Y321-Y325 HydrophobicContact CG-CD2 4.14Å; Y321-Y325 HydrophobicContact CG-CE2 4.24Å; Y321-Y325 AromaticContact CZ-CE2 3.3Å; Y321-Y325 VanDerWaalsContact O-CB 3.24Å; Y321-Y325 WeakPolarHBondContact O-CB 3.39Å; Y321-Y325 VanDerWaalsContact O-CD2 3.29Å; Y321-Y325 WeakPolarHBondContact O-CD2 3.43Å; Y321-Y325 PolarHBondContact O-N 3.32Å; Y321-Y325 PolarHBondContact OH-OH 3.3Å; I322-Y325 PolarHBondContact O-N 3.48Å; F323-Y325 VanDerWaalsContact C-N 3.34Å; Y325-L327 VanDerWaalsContact C-N 3.29Å; Y325-L327 PolarHBondContact O-N 3.45Å; Y325-S328 WeakPolarHBondContact CA-OG 3.21Å; Y325-S328 PolarHBondContact O-N 3.19Å; Y325-S328 PolarHBondContact O-OG 3.13Å; Y325-S328 VanDerWaalsContact O-OG 3.04Å; Y325-I329 WeakPolarHBondContact O-CB 3.33Å; Y325-I329 VanDerWaalsContact O-CD1 3.22Å; Y325-I329 WeakPolarHBondContact O-CD1 3.45Å; Y325-I329 WeakPolarHBondContact O-CG1 3.27Å; Y325-I329 PolarHBondContact O-N 3.17Å |
| 326 | F | 44.3 | Very low | 41.8 | Very low | 34 Ų | 34 | 91.5 Ų | 91.5 | 15% | 0.149 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 172.4 | -94.2 | -80.6 | 0 | 0 | 0 | 110.1 | L212 V272 I322 F323 S328 I329 L330 | L212-F326 HydrophobicContact CD1-CD1 3.9Å; L212-F326 HydrophobicContact CD1-CE1 3.58Å; L212-F326 HydrophobicContact CD1-CZ 4.33Å; L212-F326 HydrophobicContact CD2-CD1 3.66Å; L212-F326 HydrophobicContact CD2-CE1 4.17Å; L212-F326 HydrophobicContact CG-CD1 4.4Å; V272-F326 HydrophobicContact CG2-CZ 4.43Å; I322-F326 HydrophobicContact CG2-CD2 3.57Å; I322-F326 HydrophobicContact CG2-CE2 3.71Å; I322-F326 WeakPolarHBondContact O-CB 3.39Å; I322-F326 VanDerWaalsContact O-CD2 3.28Å; I322-F326 WeakPolarHBondContact O-CD2 3.24Å; I322-F326 PolarHBondContact O-N 3.34Å; F323-F326 PolarHBondContact O-N 3.12Å; F326-S328 VanDerWaalsContact C-N 3.35Å; F326-S328 PolarHBondContact O-N 3.44Å; F326-I329 PolarHBondContact O-N 3.24Å; F326-L330 WeakPolarHBondContact O-CB 3.24Å; F326-L330 WeakPolarHBondContact O-CD1 3.17Å; F326-L330 PolarHBondContact O-N 3.45Å |
| 327 | L | 44 | Very low | 41.3 | Very low | 94 Ų | 94 | 87.4 Ų | 87.4 | 49% | 0.492 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.2 | -35.4 | 175.6 | -74.8 | 167.4 | 0 | 0 | 0 | 113 | F323 G324 Y325 L330 W331 | F323-L327 HydrophobicContact CD1-CD1 4.37Å; F323-L327 WeakPolarHBondContact O-CB 3.31Å; F323-L327 VanDerWaalsContact O-CG 3.27Å; F323-L327 WeakPolarHBondContact O-CG 3.41Å; F323-L327 PolarHBondContact O-N 3.28Å; G324-L327 PolarHBondContact O-N 2.65Å; Y325-L327 VanDerWaalsContact C-N 3.29Å; Y325-L327 PolarHBondContact O-N 3.45Å; L327-L330 CarbonylContact O-C 3.6Å; L327-L330 WeakPolarHBondContact O-CB 3.29Å; L327-L330 PolarHBondContact O-N 3.02Å; L327-W331 PolarHBondContact O-N 2.89Å; L327-W331 VanDerWaalsContact O-N 3.08Å |
| 328 | S | 38.7 | Very low | 41 | Very low | 64 Ų | 64 | 87.9 Ų | 87.9 | 45% | 0.448 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -77.4 | -32.7 | 177.6 | 74.6 | 0 | 0 | 0 | 0 | 113.2 | G324 Y325 F326 L330 W331 | G324-S328 WeakPolarHBondContact O-CB 3.25Å; G324-S328 PolarHBondContact O-N 3.4Å; G324-S328 PolarHBondContact O-OG 3.22Å; Y325-S328 WeakPolarHBondContact CA-OG 3.21Å; Y325-S328 PolarHBondContact O-N 3.19Å; Y325-S328 PolarHBondContact O-OG 3.13Å; Y325-S328 VanDerWaalsContact O-OG 3.04Å; F326-S328 VanDerWaalsContact C-N 3.35Å; F326-S328 PolarHBondContact O-N 3.44Å; S328-L330 VanDerWaalsContact C-N 3.25Å; S328-L330 PolarHBondContact O-N 2.86Å; S328-W331 WeakPolarHBondContact O-CA 3.5Å; S328-W331 WeakPolarHBondContact O-CB 2.99Å; S328-W331 PolarHBondContact O-N 2.94Å |
| 329 | I | 43.9 | Very low | 40.6 | Very low | 49 Ų | 49 | 87.5 Ų | 87.5 | 25% | 0.251 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.5 | -34 | 168.3 | -64.7 | 156.7 | 0 | 0 | 0 | 110.2 | I277 Y325 F326 W331 | I277-I329 HydrophobicContact CB-CD1 4.27Å; I277-I329 HydrophobicContact CG1-CD1 4.21Å; I277-I329 HydrophobicContact CG2-CD1 3.43Å; I277-I329 VanDerWaalsContact CG2-CD1 3.43Å; I277-I329 HydrophobicContact CG2-CG1 4.04Å; Y325-I329 WeakPolarHBondContact O-CB 3.33Å; Y325-I329 VanDerWaalsContact O-CD1 3.22Å; Y325-I329 WeakPolarHBondContact O-CD1 3.45Å; Y325-I329 WeakPolarHBondContact O-CG1 3.27Å; Y325-I329 PolarHBondContact O-N 3.17Å; F326-I329 PolarHBondContact O-N 3.24Å; I329-W331 PolarHBondContact O-N 3.47Å |
| 330 | L | 35.9 | Very low | 40.9 | Very low | 20 Ų | 20 | 92.9 Ų | 92.9 | 11% | 0.105 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -11.3 | 169.9 | -88 | 135.4 | 0 | 0 | 0 | 113.1 | L212 Q215 R219 F326 L327 S328 V332 | L212-L330 HydrophobicContact CD2-CD1 3.74Å; Q215-L330 HydrophobicContact CB-CD2 4.02Å; R219-L330 PolarHBondContact NH2-O 3.46Å; F326-L330 WeakPolarHBondContact O-CB 3.24Å; F326-L330 WeakPolarHBondContact O-CD1 3.17Å; F326-L330 PolarHBondContact O-N 3.45Å; L327-L330 CarbonylContact O-C 3.6Å; L327-L330 WeakPolarHBondContact O-CB 3.29Å; L327-L330 PolarHBondContact O-N 3.02Å; S328-L330 VanDerWaalsContact C-N 3.25Å; S328-L330 PolarHBondContact O-N 2.86Å; L330-V332 PolarHBondContact O-N 3.16Å |
| 331 | W | 32.6 | Very low | 40.7 | Very low | 197 Ų | 197 | 91.9 Ų | 91.9 | 75% | 0.746 | 46% | 0.462 | S | S | * | . | trans | -78.3 | 71.4 | 171.3 | -154.5 | 83.5 | 0 | 0 | 0 | 110 | L327 S328 I329 P333 | L327-W331 PolarHBondContact O-N 2.89Å; L327-W331 VanDerWaalsContact O-N 3.08Å; S328-W331 WeakPolarHBondContact O-CA 3.5Å; S328-W331 WeakPolarHBondContact O-CB 2.99Å; S328-W331 PolarHBondContact O-N 2.94Å; I329-W331 PolarHBondContact O-N 3.47Å; W331-P333 HydrophobicContact CE3-CG 4.44Å; W331-P333 HydrophobicContact CZ3-CB 4.45Å; W331-P333 HydrophobicContact CZ3-CG 4.31Å; W331-P333 WeakPolarHBondContact O-CD 3.49Å | ||
| 332 | V | 39.8 | Very low | 40.3 | Very low | 82 Ų | 82 | 91.6 Ų | 91.6 | 50% | 0.497 | 47% | 0.467 | S | S | . | . | trans | -68.5 | 121.2 | 166.3 | 175.2 | 0 | 0 | 0 | 0 | 106.4 | R219 L330 D334 | R219-V332 VanDerWaalsContact NH1-CG2 3.28Å; L330-V332 PolarHBondContact O-N 3.16Å; V332-D334 PolarHBondContact O-N 3.27Å | ||
| 333 | P | 32.8 | Very low | 40.2 | Very low | 86 Ų | 86 | 98.1 Ų | 98.1 | 56% | 0.558 | 50% | 0.497 | S | S | * | . | trans | -60.8 | 107.9 | 178.4 | -17.8 | 29.4 | 0 | 0 | 0 | 108.4 | W331 R335 | W331-P333 HydrophobicContact CE3-CG 4.44Å; W331-P333 HydrophobicContact CZ3-CB 4.45Å; W331-P333 HydrophobicContact CZ3-CG 4.31Å; W331-P333 WeakPolarHBondContact O-CD 3.49Å; P333-R335 PolarHBondContact O-N 3.32Å; P333-R335 VanDerWaalsContact O-N 3.07Å | ||
| 334 | D | 34.3 | Very low | 40.5 | Very low | 143 Ų | 143 | 100.8 Ų | 100.8 | 77% | 0.765 | 52% | 0.52 | S | S | * | . | trans | -54.4 | 117.1 | 171.2 | -95.6 | -37.3 | 0 | 0 | 0 | 108 | V332 G336 | V332-D334 PolarHBondContact O-N 3.27Å; D334-G336 WeakPolarHBondContact CB-O 3.29Å; D334-G336 PolarHBondContact O-N 3.21Å | ||
| 335 | R | 37.9 | Very low | 40.6 | Very low | 214 Ų | 214 | 104.5 Ų | 104.5 | 81% | 0.808 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -74.5 | 4.8 | 169 | -80.6 | -82.4 | -169.7 | 139.4 | 0.1 | 112.1 | P333 | P333-R335 PolarHBondContact O-N 3.32Å; P333-R335 VanDerWaalsContact O-N 3.07Å |
| 336 | G | 38.4 | Very low | 40.8 | Very low | 39 Ų | 39 | 106 Ų | 106 | 40% | 0.402 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -116.1 | 105 | 160.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | D334 | D334-G336 WeakPolarHBondContact CB-O 3.29Å; D334-G336 PolarHBondContact O-N 3.21Å |
| 337 | G | 33.4 | Very low | 41.5 | Very low | 27 Ų | 27 | 110.1 Ų | 110.1 | 28% | 0.278 | 59% | 0.587 | S | S | . | * | trans | -46.4 | 153.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | A339 L342 | G337-A339 PolarHBondContact O-N 3.41Å; G337-L342 WeakPolarHBondContact O-CD1 3.28Å | ||
| 338 | R | 37.2 | Very low | 41.8 | Very low | 151 Ų | 151 | 115 Ų | 115 | 57% | 0.57 | 61% | 0.608 | S | S | * | * | trans | -49.9 | 147.6 | -179.5 | -58.6 | -166.2 | 175.6 | -147.2 | 0.6 | 108.7 | W340 E341 L342 | R338-W340 HydrophobicContact CB-CD2 3.74Å; R338-W340 HydrophobicContact CB-CE3 4.05Å; R338-W340 HydrophobicContact CB-CG 4.27Å; R338-W340 HydrophobicContact CB-CH2 4.34Å; R338-W340 HydrophobicContact CB-CZ2 4.04Å; R338-W340 HydrophobicContact CB-CZ3 4.31Å; R338-W340 VanDerWaalsContact CD-CE2 3.4Å; R338-W340 HydrophobicContact CG-CZ2 4.18Å; R338-W340 VanDerWaalsContact NH1-CH2 3.3Å; R338-W340 PolarHBondContact O-N 3.37Å; R338-E341 HydrophobicContact CB-CG 4.21Å; R338-E341 PolarHBondContact N-OE2 2.64Å; R338-E341 VanDerWaalsContact N-OE2 3.14Å; R338-E341 WeakPolarHBondContact O-CA 3.38Å; R338-E341 PolarHBondContact O-N 2.83Å; R338-L342 PolarHBondContact O-N 2.68Å | ||
| 339 | A | 38.8 | Very low | 42.3 | Very low | 91 Ų | 91 | 117.1 Ų | 117.1 | 75% | 0.752 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.3 | -19 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G337 | G337-A339 PolarHBondContact O-N 3.41Š|
| 340 | W | 47.3 | Very low | 42.5 | Very low | 189 Ų | 189 | 118.4 Ų | 118.4 | 72% | 0.716 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -7.9 | 173.1 | 62.4 | 81.5 | 0 | 0 | 0 | 115.9 | R338 | R338-W340 HydrophobicContact CB-CD2 3.74Å; R338-W340 HydrophobicContact CB-CE3 4.05Å; R338-W340 HydrophobicContact CB-CG 4.27Å; R338-W340 HydrophobicContact CB-CH2 4.34Å; R338-W340 HydrophobicContact CB-CZ2 4.04Å; R338-W340 HydrophobicContact CB-CZ3 4.31Å; R338-W340 VanDerWaalsContact CD-CE2 3.4Å; R338-W340 HydrophobicContact CG-CZ2 4.18Å; R338-W340 VanDerWaalsContact NH1-CH2 3.3Å; R338-W340 PolarHBondContact O-N 3.37Å |
| 341 | E | 41.2 | Very low | 43.4 | Very low | 125 Ų | 125 | 122.8 Ų | 122.8 | 58% | 0.584 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -18.6 | 171.6 | -70.5 | 172.4 | 174 | 0 | 0 | 112.3 | R338 E343 | R338-E341 HydrophobicContact CB-CG 4.21Å; R338-E341 PolarHBondContact N-OE2 2.64Å; R338-E341 VanDerWaalsContact N-OE2 3.14Å; R338-E341 WeakPolarHBondContact O-CA 3.38Å; R338-E341 PolarHBondContact O-N 2.83Å; E341-E343 PolarHBondContact O-N 3.24Å |
| 342 | L | 39.4 | Very low | 44.4 | Very low | 103 Ų | 103 | 121.8 Ų | 121.8 | 54% | 0.539 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -80.4 | 113.9 | 174.3 | -69.9 | 166.5 | 0 | 0 | 0 | 108.6 | G337 R338 | G337-L342 WeakPolarHBondContact O-CD1 3.28Å; R338-L342 PolarHBondContact O-N 2.68Å |
| 343 | E | 47.1 | Very low | 44.5 | Very low | 180 Ų | 180 | 125 Ų | 125 | 84% | 0.841 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 127.8 | 162.2 | -89.4 | -178.8 | 163.5 | 0 | 0 | 108 | E341 | E341-E343 PolarHBondContact O-N 3.24Š|
| 344 | P | 50.1 | Low | 45.3 | Very low | 110 Ų | 110 | 130 Ų | 130 | 71% | 0.714 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -55 | 137.3 | 178.2 | 21 | -30.4 | 0 | 0 | 0 | 108.6 | ||
| 345 | P | 48.6 | Very low | 45.9 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 75% | 0.747 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -54 | 137.4 | -179.8 | 22.2 | -32 | 0 | 0 | 0 | 108.9 | ||
| 346 | P | 51.2 | Low | 46.5 | Very low | 114 Ų | 114 | 132 Ų | 132 | 74% | 0.74 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 142.2 | 178.5 | 19.4 | -29.6 | 0 | 0 | 0 | 109.3 | E348 | P346-E348 PolarHBondContact O-N 2.8Š|
| 347 | P | 58.1 | Low | 46.6 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 77% | 0.773 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 127.3 | -179 | -27.6 | 33.1 | 0 | 0 | 0 | 111.2 | M349 | P347-M349 PolarHBondContact O-N 2.99Š|
| 348 | E | 51.3 | Low | 46.9 | Very low | 198 Ų | 198 | 141.7 Ų | 141.7 | 93% | 0.925 | 73% | 0.733 | S | S | * | * | trans | -63.5 | 100.7 | -179.5 | -149 | 173.1 | -151.3 | 0 | 0 | 108.5 | P346 | P346-E348 PolarHBondContact O-N 2.8Š| ||
| 349 | M | 49.6 | Very low | 47 | Very low | 107 Ų | 107 | 146.2 Ų | 146.2 | 53% | 0.527 | 75% | 0.75 | S | S | . | * | trans | -78.9 | 130.5 | 178.9 | -72.2 | -156.1 | -55.8 | 0 | 0 | 109.9 | P347 R355 | P347-M349 PolarHBondContact O-N 2.99Å; M349-R355 HydrophobicContact CE-CG 4.43Å | ||
| 350 | P | 48 | Very low | 46.7 | Very low | 77 Ų | 77 | 145.2 Ų | 145.2 | 50% | 0.5 | 75% | 0.748 | S | S | . | * | trans | -61.3 | 147.8 | 174.5 | 23.6 | -31.3 | 0 | 0 | 0 | 111.2 | F352 K353 | P350-F352 HydrophobicContact CB-CD1 3.89Å; P350-F352 HydrophobicContact CB-CE1 3.64Å; P350-F352 HydrophobicContact CG-CD1 4.15Å; P350-F352 HydrophobicContact CG-CE1 3.52Å; P350-F352 HydrophobicContact CG-CZ 4.01Å; P350-F352 PolarHBondContact O-N 2.89Å; P350-K353 PolarHBondContact O-N 3.15Å | ||
| 351 | A | 54.2 | Low | 45.8 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 93% | 0.926 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -7.3 | -166.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 352 | F | 53.2 | Low | 45.3 | Very low | 176 Ų | 176 | 137.4 Ų | 137.4 | 77% | 0.772 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | 0.8 | -178.1 | 68.2 | -94.2 | 0 | 0 | 0 | 114.7 | P350 | P350-F352 HydrophobicContact CB-CD1 3.89Å; P350-F352 HydrophobicContact CB-CE1 3.64Å; P350-F352 HydrophobicContact CG-CD1 4.15Å; P350-F352 HydrophobicContact CG-CE1 3.52Å; P350-F352 HydrophobicContact CG-CZ 4.01Å; P350-F352 PolarHBondContact O-N 2.89Å |
| 353 | K | 42.6 | Very low | 44.8 | Very low | 149 Ų | 149 | 139 Ų | 139 | 65% | 0.648 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -112.4 | 109.9 | 177.6 | -128.3 | 176.1 | -178 | -178.8 | 0 | 111.3 | P350 | P350-K353 PolarHBondContact O-N 3.15Š|
| 354 | Q | 50.4 | Low | 43.9 | Very low | 190 Ų | 190 | 139.8 Ų | 139.8 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | trans | -63.9 | 139.5 | 175 | -84.9 | -178.8 | 0.2 | 0 | 0 | 111.4 | Q356 | Q354-Q356 PolarHBondContact O-N 3.07Š| ||
| 355 | R | 46.4 | Very low | 43.1 | Very low | 224 Ų | 224 | 146.6 Ų | 146.6 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | -69 | 115.2 | 174 | -62.6 | -178.6 | 179.5 | -138 | -1.1 | 108.6 | M349 P357 | M349-R355 HydrophobicContact CE-CG 4.43Å; R355-P357 WeakPolarHBondContact O-CD 3.22Å | ||
| 356 | Q | 50.8 | Low | 42.2 | Very low | 177 Ų | 177 | 144.9 Ų | 144.9 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | -65.9 | 123.6 | 164.4 | -74.5 | -92 | 1.1 | 0 | 0 | 106.8 | Q354 D358 | Q354-Q356 PolarHBondContact O-N 3.07Å; Q356-D358 PolarHBondContact O-N 3.4Å | ||
| 357 | P | 39.2 | Very low | 41.1 | Very low | 105 Ų | 105 | 145.4 Ų | 145.4 | 68% | 0.682 | 80% | 0.799 | S | S | * | * | trans | -63.8 | 123.4 | 175.5 | 24.8 | -30.4 | 0 | 0 | 0 | 108.3 | R355 R359 | R355-P357 WeakPolarHBondContact O-CD 3.22Å; P357-R359 PolarHBondContact O-N 3.21Å | ||
| 358 | D | 40.4 | Very low | 40 | Very low | 164 Ų | 164 | 151.9 Ų | 151.9 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | -52 | 107.4 | 168 | -84.2 | -42.3 | 0 | 0 | 0 | 108 | Q356 G360 | Q356-D358 PolarHBondContact O-N 3.4Å; D358-G360 VanDerWaalsContact C-N 3.32Å; D358-G360 PolarHBondContact O-N 3.43Å | ||
| 359 | R | 38.2 | Very low | 39.1 | Very low | 246 Ų | 246 | 146.5 Ų | 146.5 | 93% | 0.928 | 81% | 0.805 | S | S | * | * | trans | -66.3 | 100.6 | 169.5 | -80.2 | -168.4 | -176.9 | -153.2 | 2.5 | 106.4 | P357 G361 | P357-R359 PolarHBondContact O-N 3.21Å; R359-G361 PolarHBondContact O-N 3.03Å | ||
| 360 | G | 32.9 | Very low | 38.3 | Very low | 69 Ų | 69 | 145.1 Ų | 145.1 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | trans | -45.8 | 129.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | D358 G362 | D358-G360 VanDerWaalsContact C-N 3.32Å; D358-G360 PolarHBondContact O-N 3.43Å; G360-G362 PolarHBondContact O-N 3.18Å | ||
| 361 | G | 27.9 | Very low | 37.4 | Very low | 89 Ų | 89 | 145.7 Ų | 145.7 | 92% | 0.918 | 84% | 0.839 | S | S | * | * | trans | -60.4 | 105 | 175 | 0 | 0 | 0 | 0 | 0 | 110.6 | R359 | R359-G361 PolarHBondContact O-N 3.03Š| ||
| 362 | G | 30.6 | Very low | 36.5 | Very low | 61 Ų | 61 | 144 Ų | 144 | 63% | 0.629 | 83% | 0.832 | S | S | * | * | trans | -113.8 | 101.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | G360 | G360-G362 PolarHBondContact O-N 3.18Š| ||
| 363 | T | 30.4 | Very low | 35.6 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 85% | 0.847 | 84% | 0.837 | S | S | * | * | trans | 55.9 | 105.3 | 152.3 | 44.6 | 0 | 0 | 0 | 0 | 119.4 | R365 | T363-R365 PolarHBondContact O-N 3.12Š| ||
| 364 | Q | 28.4 | Very low | 35.3 | Very low | 195 Ų | 195 | 139.9 Ų | 139.9 | 91% | 0.911 | 84% | 0.842 | S | S | * | * | trans | -40.6 | 111.1 | 155.1 | -65 | 162.6 | -12.1 | 0 | 0 | 112.9 | ||||
| 365 | R | 32.2 | Very low | 34.2 | Very low | 254 Ų | 254 | 138.8 Ų | 138.8 | 96% | 0.958 | 84% | 0.837 | S | S | * | * | trans | -153 | 126.7 | 151.6 | -77.7 | -161.2 | 178.2 | -176.7 | -1 | 110 | T363 | T363-R365 PolarHBondContact O-N 3.12Š| ||
| 366 | G | 30.7 | Very low | 33.6 | Very low | 78 Ų | 78 | 139.4 Ų | 139.4 | 80% | 0.804 | 84% | 0.841 | S | S | * | * | trans | 121.9 | 75.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | R368 | G366-R368 PolarHBondContact O-N 3.06Š| ||
| 367 | S | 27.7 | Very low | 32.7 | Very low | 125 Ų | 125 | 134.4 Ų | 134.4 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | trans | -56.9 | 127.3 | 158 | -50.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 368 | R | 35.5 | Very low | 32.2 | Very low | 255 Ų | 255 | 133.2 Ų | 133.2 | 96% | 0.962 | 84% | 0.843 | S | S | * | * | trans | -162.5 | 137.5 | 147 | -116 | 174.8 | -174.2 | -176.8 | 1.2 | 110 | G366 | G366-R368 PolarHBondContact O-N 3.06Š| ||
| 369 | G | 30.7 | Very low | 32 | Very low | 85 Ų | 85 | 137.6 Ų | 137.6 | 88% | 0.876 | 85% | 0.848 | S | S | * | * | trans | -72.7 | 174.3 | -160.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 370 | G | 33.5 | Very low | 31.7 | Very low | 79 Ų | 79 | 129.4 Ų | 129.4 | 81% | 0.814 | 84% | 0.84 | S | S | * | * | trans | 173 | 85.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 371 | G | 30.4 | Very low | 31.6 | Very low | 89 Ų | 89 | 130 Ų | 130 | 92% | 0.918 | 85% | 0.847 | S | S | * | * | trans | -64 | 151.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 372 | G | 35.2 | Very low | 32 | Very low | 76 Ų | 76 | 135.6 Ų | 135.6 | 78% | 0.784 | 85% | 0.846 | S | S | * | * | trans | -169 | 83.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109 | G374 | G372-G374 PolarHBondContact O-N 2.83Š| ||
| 373 | D | 34.3 | Very low | 32 | Very low | 165 Ų | 165 | 142.1 Ų | 142.1 | 88% | 0.882 | 86% | 0.86 | S | S | * | * | trans | -56.4 | 127.2 | 166.8 | -78.4 | -62.3 | 0 | 0 | 0 | 110.5 | ||||
| 374 | G | 34.5 | Very low | 32.1 | Very low | 73 Ų | 73 | 138.8 Ų | 138.8 | 75% | 0.753 | 85% | 0.853 | S | S | * | * | trans | -150.7 | 76.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | G372 | G372-G374 PolarHBondContact O-N 2.83Š| ||
| 375 | H | 28.6 | Very low | 32.3 | Very low | 167 Ų | 167 | 133.1 Ų | 133.1 | 77% | 0.773 | 85% | 0.847 | S | S | * | * | trans | -57 | 133.1 | 161.4 | -79.8 | 55.4 | 0 | 0 | 0 | 109.2 | ||||
| 376 | Y | 33.7 | Very low | 32.3 | Very low | 238 Ų | 238 | 129.2 Ų | 129.2 | 93% | 0.933 | 85% | 0.845 | S | S | * | * | trans | 174.6 | 133.3 | 131.9 | -110.8 | -88.6 | 0 | 0 | 0 | 110.7 | ||||
| 377 | G | 31.9 | Very low | 32.6 | Very low | 72 Ų | 72 | 131.1 Ų | 131.1 | 74% | 0.742 | 85% | 0.847 | S | S | * | * | trans | 109.9 | 72.1 | 145.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 378 | G | 28.7 | Very low | 32.9 | Very low | 79 Ų | 79 | 129.1 Ų | 129.1 | 81% | 0.814 | 84% | 0.837 | S | S | * | * | trans | -72.3 | 123.4 | 153.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 379 | R | 35.2 | Very low | 32.5 | Very low | 256 Ų | 256 | 127.9 Ų | 127.9 | 97% | 0.966 | 83% | 0.834 | S | S | * | * | trans | -167.2 | 136.2 | 155.3 | -76.8 | -161.4 | -178.1 | -166 | -0.5 | 106.3 | ||||
| 380 | G | 32.8 | Very low | 32.8 | Very low | 74 Ų | 74 | 133.6 Ų | 133.6 | 76% | 0.763 | 84% | 0.835 | S | S | * | * | cis | -167.9 | 146 | -5.7 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 381 | G | 30.7 | Very low | 32.7 | Very low | 83 Ų | 83 | 133.6 Ų | 133.6 | 86% | 0.856 | 84% | 0.835 | S | S | * | * | trans | -65.9 | 134 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 382 | F | 35.9 | Very low | 32.8 | Very low | 205 Ų | 205 | 134.7 Ų | 134.7 | 90% | 0.899 | 83% | 0.828 | S | S | * | * | trans | -121.7 | 100.1 | 156.4 | -152.2 | -98.8 | 0 | 0 | 0 | 107.9 | ||||
| 383 | Q | 30.8 | Very low | 32.5 | Very low | 198 Ų | 198 | 137.2 Ų | 137.2 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | trans | -88 | 118.2 | 171.2 | -166 | 176.8 | 36.3 | 0 | 0 | 105.7 | ||||
| 384 | G | 31.9 | Very low | 32.3 | Very low | 68 Ų | 68 | 140.1 Ų | 140.1 | 70% | 0.701 | 83% | 0.833 | S | S | * | * | trans | -171.6 | 113.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 385 | G | 34.3 | Very low | 32.3 | Very low | 77 Ų | 77 | 151.8 Ų | 151.8 | 79% | 0.794 | 85% | 0.854 | S | S | * | * | trans | 109 | 61.9 | 148.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | S387 | G385-S387 PolarHBondContact O-N 2.9Å; G385-S387 VanDerWaalsContact O-N 3.11Å | ||
| 386 | N | 32.2 | Very low | 32.4 | Very low | 171 Ų | 171 | 151 Ų | 151 | 91% | 0.914 | 86% | 0.858 | S | S | * | * | trans | -73 | 90.6 | 159.3 | -162 | 12.9 | 0 | 0 | 0 | 108.2 | A388 | N386-A388 PolarHBondContact O-N 3.17Š| ||
| 387 | S | 36.4 | Very low | 32.4 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 83% | 0.832 | 85% | 0.854 | S | S | * | * | trans | -90 | 106.4 | 176.8 | -159.3 | 0 | 0 | 0 | 0 | 109.7 | G385 | G385-S387 PolarHBondContact O-N 2.9Å; G385-S387 VanDerWaalsContact O-N 3.11Å | ||
| 388 | A | 34.3 | Very low | 32.4 | Very low | 82 Ų | 82 | 150.6 Ų | 150.6 | 68% | 0.678 | 86% | 0.86 | S | S | * | * | trans | -67.8 | 139 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N386 K390 | N386-A388 PolarHBondContact O-N 3.17Å; A388-K390 PolarHBondContact O-N 3.06Å | ||
| 389 | Y | 27.2 | Very low | 32.6 | Very low | 230 Ų | 230 | 154.8 Ų | 154.8 | 90% | 0.902 | 86% | 0.863 | S | S | * | * | trans | -23.4 | 121.1 | 158.6 | -70.5 | -99.4 | 0 | 0 | 0 | 115.3 | ||||
| 390 | K | 36.6 | Very low | 32.4 | Very low | 205 Ų | 205 | 148.4 Ų | 148.4 | 89% | 0.891 | 86% | 0.857 | S | S | * | * | trans | -116.2 | 92.8 | 150.4 | -94.5 | -172.5 | 175.7 | -179.9 | 0 | 108.3 | A388 S392 | A388-K390 PolarHBondContact O-N 3.06Å; K390-S392 PolarHBondContact O-N 3.48Å | ||
| 391 | G | 31.6 | Very low | 32.4 | Very low | 78 Ų | 78 | 153.4 Ų | 153.4 | 80% | 0.804 | 86% | 0.863 | S | S | * | * | trans | -67.5 | 116.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 392 | S | 32.5 | Very low | 32.6 | Very low | 112 Ų | 112 | 158.4 Ų | 158.4 | 78% | 0.783 | 86% | 0.863 | S | S | * | * | trans | -105.1 | 96.7 | 167.7 | 57.4 | 0 | 0 | 0 | 0 | 107.9 | K390 R394 | K390-S392 PolarHBondContact O-N 3.48Å; S392-R394 PolarHBondContact O-N 3.13Å | ||
| 393 | S | 27.5 | Very low | 32.3 | Very low | 130 Ų | 130 | 154.8 Ų | 154.8 | 91% | 0.909 | 86% | 0.861 | S | S | * | * | trans | -70.6 | 111.2 | 162.1 | -61.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 394 | R | 31 | Very low | 32.4 | Very low | 226 Ų | 226 | 151.3 Ų | 151.3 | 85% | 0.853 | 86% | 0.855 | S | S | * | * | trans | -133.3 | 103.5 | 169.4 | -160.5 | 174.4 | -172.4 | 165.1 | 1.6 | 107.3 | S392 | S392-R394 PolarHBondContact O-N 3.13Š| ||
| 395 | W | 33.6 | Very low | 32.5 | Very low | 317 Ų | 317 | 158.8 Ų | 158.8 | 100% | 1.201 | 87% | 0.869 | S | S | * | * | trans | 38.9 | 0 | 156.8 | -60.5 | 90.3 | 0 | 0 | 0 | 119 |
Retrieved 395 of 395 residues in 127.6 ms
(Link to these results)