| 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 | 39.3 | Very low | 44.3 | Very low | 246 Ų | 246 | 130.1 Ų | 130.1 | 100% | 1.212 | 67% | 0.674 | S | S | * | * | 0 | 135.6 | 0 | -66.2 | 165.8 | -177.9 | 0 | 0 | 106.5 | |||||
| 2 | A | 32.6 | Very low | 47.6 | Very low | 93 Ų | 93 | 129.2 Ų | 129.2 | 77% | 0.769 | 66% | 0.664 | S | S | * | * | trans | -79.2 | 159 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T4 | A2-T4 PolarHBondContact O-N 3.34Š| ||
| 3 | F | 30.1 | Very low | 51.2 | Low | 193 Ų | 193 | 121.2 Ų | 121.2 | 85% | 0.846 | 62% | 0.623 | S | S | * | * | trans | -66.2 | 123.3 | -174.9 | -71.9 | -105.9 | 0 | 0 | 0 | 112 | L5 | F3-L5 HydrophobicContact CD1-CD1 4.19Š| ||
| 4 | T | 39.6 | Very low | 54.3 | Low | 124 Ų | 124 | 116.9 Ų | 116.9 | 76% | 0.761 | 60% | 0.602 | S | S | * | * | trans | -106.1 | 51.6 | 174.1 | 56.4 | 0 | 0 | 0 | 0 | 110.8 | A2 | A2-T4 PolarHBondContact O-N 3.34Š| ||
| 5 | L | 37.1 | Very low | 56.9 | Low | 123 Ų | 123 | 114.6 Ų | 114.6 | 64% | 0.644 | 59% | 0.588 | S | S | * | * | trans | -112.3 | -0.2 | -169.9 | -99.2 | 163.2 | 0 | 0 | 0 | 115 | F3 | F3-L5 HydrophobicContact CD1-CD1 4.19Š| ||
| 6 | D | 41.5 | Very low | 59.2 | Low | 109 Ų | 109 | 114.5 Ų | 114.5 | 58% | 0.583 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -111.1 | -15.9 | -177.3 | -84.5 | -39 | 0 | 0 | 0 | 115.3 | ||
| 7 | D | 41.9 | Very low | 61.3 | Low | 90 Ų | 90 | 108.8 Ų | 108.8 | 48% | 0.481 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -74.2 | -36.1 | -175.9 | -77.4 | -46.1 | 0 | 0 | 0 | 113.2 | K9 R10 | D7-K9 PolarHBondContact O-N 2.91Å; D7-R10 WeakPolarHBondContact O-CB 3.46Å; D7-R10 PolarHBondContact O-N 2.88Å; D7-R10 IonicContact OD1-CZ 2.7Å; D7-R10 IonicContact OD1-NH1 3.12Å; D7-R10 PolarHBondContact OD1-NH1 3.16Å |
| 8 | D | 51.9 | Low | 63.2 | Low | 139 Ų | 139 | 103.2 Ų | 103.2 | 74% | 0.743 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -57.1 | -34.7 | 178.8 | -76.1 | -29.3 | 0 | 0 | 0 | 112.8 | R10 | D8-R10 VanDerWaalsContact C-N 3.26Å; D8-R10 PolarHBondContact O-N 3.21Å |
| 9 | K | 53.4 | Low | 64.8 | Low | 143 Ų | 143 | 101.3 Ų | 101.3 | 62% | 0.622 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69 | -20 | 178.9 | -70 | 177.7 | -177.4 | 164.9 | 0 | 113.6 | D7 | D7-K9 PolarHBondContact O-N 2.91Å |
| 10 | R | 54.1 | Low | 66.1 | Low | 135 Ų | 135 | 102.3 Ų | 102.3 | 51% | 0.509 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -77.9 | -27.4 | -175.5 | -66.1 | 177.8 | 171.5 | 155.9 | -2.2 | 113.3 | D7 D8 | D7-R10 WeakPolarHBondContact O-CB 3.46Å; D7-R10 PolarHBondContact O-N 2.88Å; D7-R10 IonicContact OD1-CZ 2.7Å; D7-R10 IonicContact OD1-NH1 3.12Å; D7-R10 PolarHBondContact OD1-NH1 3.16Å; D8-R10 VanDerWaalsContact C-N 3.26Å; D8-R10 PolarHBondContact O-N 3.21Å |
| 11 | C | 65.8 | Low | 67.5 | Low | 36 Ų | 36 | 98.2 Ų | 98.2 | 24% | 0.243 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -96.9 | -8 | 179.1 | -65 | 0 | 0 | 0 | 0 | 113.4 | L13 H201 | C11-L13 PolarHBondContact O-N 3.2Å; C11-H201 PolarHBondContact O-NE2 3.4Å |
| 12 | Q | 84.6 | Confident | 70.1 | Confident | 119 Ų | 119 | 86.6 Ų | 86.6 | 56% | 0.556 | 44% | 0.442 | S | S | * | . | trans | -64.2 | 124.6 | -174.9 | -165.3 | 172.9 | 9.6 | 0 | 0 | 112 | H201 | Q12-H201 PolarHBondContact O-CD2 3.35Å; Q12-H201 VanDerWaalsContact O-CD2 3.27Å | ||
| 13 | L | 93.6 | Very high | 72.8 | Confident | 25 Ų | 25 | 86.4 Ų | 86.4 | 13% | 0.131 | 43% | 0.428 | C | S | . | . | trans | -65.8 | 153.8 | 174.8 | -66.6 | 166.2 | 0 | 0 | 0 | 110.8 | C11 E15 I18 L32 T34 F199 H201 | C11-L13 PolarHBondContact O-N 3.2Å; L13-E15 PolarHBondContact O-N 2.96Å; L13-I18 HydrophobicContact CB-CD1 4.21Å; L13-I18 HydrophobicContact CB-CG1 3.72Å; L13-I18 HydrophobicContact CD1-CD1 4.03Å; L13-I18 HydrophobicContact CD1-CG1 4.1Å; L13-I18 HydrophobicContact CD2-CD1 4.42Å; L13-I18 HydrophobicContact CG-CD1 4.46Å; L13-I18 HydrophobicContact CG-CG1 4.42Å; L13-L32 HydrophobicContact CD1-CB 3.76Å; L13-L32 HydrophobicContact CD1-CD1 4.01Å; L13-T34 HydrophobicContact CD1-CG2 4.07Å; L13-T34 HydrophobicContact CG-CG2 4.23Å; L13-F199 HydrophobicContact CD2-CB 3.95Å; L13-H201 WeakPolarHBondContact CD2-CE1 3.46Å | ||
| 14 | N | 94.8 | Very high | 75.5 | Confident | 61 Ų | 61 | 81 Ų | 81 | 33% | 0.326 | 41% | 0.411 | S | S | . | . | trans | -73.7 | 111.3 | 174.4 | 177.9 | -82.5 | 0 | 0 | 0 | 109.5 | D16 I17 I18 G200 | N14-D16 VanDerWaalsContact C-N 3.27Å; N14-D16 PolarHBondContact O-N 2.96Å; N14-D16 PolarHBondContact OD1-N 2.93Å; N14-I17 HydrophobicContact CB-CB 4.26Å; N14-I17 HydrophobicContact CB-CD1 4.03Å; N14-I17 HydrophobicContact CB-CG1 4.27Å; N14-I17 PolarHBondContact O-N 3.18Å; N14-I17 WeakPolarHBondContact OD1-CG1 3.29Å; N14-I17 PolarHBondContact OD1-N 3.44Å; N14-I18 WeakPolarHBondContact O-CG1 3.31Å; N14-I18 PolarHBondContact O-N 2.93Å; N14-G200 WeakPolarHBondContact CB-O 3.36Å; N14-G200 PolarHBondContact N-O 2.78Å | ||
| 15 | E | 93.4 | Very high | 77.9 | Confident | 83 Ų | 83 | 75.1 Ų | 75.1 | 39% | 0.388 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -57.9 | -35.9 | -174 | -74 | -163 | -178.3 | 0 | 0 | 113.8 | L13 I18 K19 | L13-E15 PolarHBondContact O-N 2.96Å; E15-I18 PolarHBondContact O-N 3.41Å; E15-K19 HydrophobicContact CB-CD 4.41Å; E15-K19 VanDerWaalsContact O-CB 3.3Å; E15-K19 WeakPolarHBondContact O-CB 3.16Å; E15-K19 WeakPolarHBondContact O-CD 3.31Å; E15-K19 WeakPolarHBondContact O-CG 3.44Å; E15-K19 PolarHBondContact O-N 3.04Å; E15-K19 WeakPolarHBondContact OE2-CE 3.17Å; E15-K19 IonicContact OE2-NZ 3.27Å; E15-K19 PolarHBondContact OE2-NZ 3.23Å |
| 16 | D | 93.8 | Very high | 80.4 | Confident | 113 Ų | 113 | 73.7 Ų | 73.7 | 60% | 0.604 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -67.8 | -41.4 | -178.4 | -54.7 | -38.5 | 0 | 0 | 0 | 111.3 | N14 Q20 | N14-D16 VanDerWaalsContact C-N 3.27Å; N14-D16 PolarHBondContact O-N 2.96Å; N14-D16 PolarHBondContact OD1-N 2.93Å; D16-Q20 WeakPolarHBondContact O-CB 3.37Å; D16-Q20 PolarHBondContact O-N 3.35Å |
| 17 | I | 95.4 | Very high | 82.5 | Confident | 18 Ų | 18 | 73.8 Ų | 73.8 | 9% | 0.092 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 172.8 | -68 | 174.6 | 0 | 0 | 0 | 110.4 | N14 Q20 L21 K203 F204 | N14-I17 HydrophobicContact CB-CB 4.26Å; N14-I17 HydrophobicContact CB-CD1 4.03Å; N14-I17 HydrophobicContact CB-CG1 4.27Å; N14-I17 PolarHBondContact O-N 3.18Å; N14-I17 WeakPolarHBondContact OD1-CG1 3.29Å; N14-I17 PolarHBondContact OD1-N 3.44Å; I17-Q20 PolarHBondContact O-N 3.44Å; I17-L21 HydrophobicContact CG2-CD1 3.79Å; I17-L21 HydrophobicContact CG2-CG 4.46Å; I17-L21 WeakPolarHBondContact O-CB 3.43Å; I17-L21 VanDerWaalsContact O-CG 3.32Å; I17-L21 WeakPolarHBondContact O-CG 3.31Å; I17-L21 PolarHBondContact O-N 3.1Å; I17-K203 HydrophobicContact CD1-CG 4.02Å; I17-F204 HydrophobicContact CG2-CE2 4.19Å |
| 18 | I | 95.2 | Very high | 84.7 | Confident | 7 Ų | 7 | 74.2 Ų | 74.2 | 4% | 0.036 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69.6 | -42.8 | -179 | -61.9 | -49.9 | 0 | 0 | 0 | 112.1 | L13 N14 E15 Q20 L21 Y22 Y26 L32 | L13-I18 HydrophobicContact CB-CD1 4.21Å; L13-I18 HydrophobicContact CB-CG1 3.72Å; L13-I18 HydrophobicContact CD1-CD1 4.03Å; L13-I18 HydrophobicContact CD1-CG1 4.1Å; L13-I18 HydrophobicContact CD2-CD1 4.42Å; L13-I18 HydrophobicContact CG-CD1 4.46Å; L13-I18 HydrophobicContact CG-CG1 4.42Å; N14-I18 WeakPolarHBondContact O-CG1 3.31Å; N14-I18 PolarHBondContact O-N 2.93Å; E15-I18 PolarHBondContact O-N 3.41Å; I18-Q20 VanDerWaalsContact C-N 3.34Å; I18-Q20 PolarHBondContact O-N 2.98Å; I18-L21 PolarHBondContact O-N 2.97Å; I18-Y22 HydrophobicContact CD1-CD2 3.89Å; I18-Y22 HydrophobicContact CD1-CE2 4Å; I18-Y22 HydrophobicContact CG2-CD2 4.47Å; I18-Y22 CarbonylContact O-C 3.57Å; I18-Y22 WeakPolarHBondContact O-CA 3.48Å; I18-Y22 PolarHBondContact O-N 3.13Å; I18-Y26 HydrophobicContact CG2-CD2 4.15Å; I18-L32 HydrophobicContact CD1-CD1 4.09Å; I18-L32 HydrophobicContact CG1-CD1 4.33Å; I18-L32 HydrophobicContact CG2-CD1 3.42Å; I18-L32 VanDerWaalsContact CG2-CD1 3.42Å |
| 19 | K | 92.7 | Very high | 86.4 | Confident | 67 Ų | 67 | 70.5 Ų | 70.5 | 29% | 0.291 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 173.7 | -71.7 | 162.4 | -171.9 | 163.6 | 0 | 111.4 | E15 L23 Y26 | E15-K19 HydrophobicContact CB-CD 4.41Å; E15-K19 VanDerWaalsContact O-CB 3.3Å; E15-K19 WeakPolarHBondContact O-CB 3.16Å; E15-K19 WeakPolarHBondContact O-CD 3.31Å; E15-K19 WeakPolarHBondContact O-CG 3.44Å; E15-K19 PolarHBondContact O-N 3.04Å; E15-K19 WeakPolarHBondContact OE2-CE 3.17Å; E15-K19 IonicContact OE2-NZ 3.27Å; E15-K19 PolarHBondContact OE2-NZ 3.23Å; K19-L23 WeakPolarHBondContact O-CB 3.45Å; K19-Y26 HydrophobicContact CD-CE1 4.39Å; K19-Y26 WeakPolarHBondContact CE-OH 3.5Å; K19-Y26 HydrophobicContact CG-CD1 3.9Å; K19-Y26 HydrophobicContact CG-CD2 4.03Å; K19-Y26 HydrophobicContact CG-CE1 3.95Å; K19-Y26 HydrophobicContact CG-CE2 4.05Å; K19-Y26 HydrophobicContact CG-CG 3.97Å |
| 20 | Q | 91.5 | Very high | 88.3 | Confident | 121 Ų | 121 | 65.2 Ų | 65.2 | 57% | 0.565 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -68.8 | -40.5 | -179.9 | -174.8 | 176 | 32.4 | 0 | 0 | 113 | D16 I17 I18 | D16-Q20 WeakPolarHBondContact O-CB 3.37Å; D16-Q20 PolarHBondContact O-N 3.35Å; I17-Q20 PolarHBondContact O-N 3.44Å; I18-Q20 VanDerWaalsContact C-N 3.34Å; I18-Q20 PolarHBondContact O-N 2.98Å |
| 21 | L | 95 | Very high | 90.2 | Very high | 17 Ų | 17 | 66.2 Ų | 66.2 | 9% | 0.089 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -92.2 | -38.6 | -174.3 | -61.2 | 178.1 | 0 | 0 | 0 | 113.4 | I17 I18 F204 I208 I212 | I17-L21 HydrophobicContact CG2-CD1 3.79Å; I17-L21 HydrophobicContact CG2-CG 4.46Å; I17-L21 WeakPolarHBondContact O-CB 3.43Å; I17-L21 VanDerWaalsContact O-CG 3.32Å; I17-L21 WeakPolarHBondContact O-CG 3.31Å; I17-L21 PolarHBondContact O-N 3.1Å; I18-L21 PolarHBondContact O-N 2.97Å; L21-F204 HydrophobicContact CD1-CD2 4.22Å; L21-F204 HydrophobicContact CD1-CE2 3.77Å; L21-I208 HydrophobicContact CD1-CG2 3.74Å; L21-I208 HydrophobicContact CD2-CG2 4.01Å; L21-I212 HydrophobicContact CB-CD1 4.25Å; L21-I212 HydrophobicContact CD2-CD1 4.21Å |
| 22 | Y | 94.6 | Very high | 91.7 | Very high | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.008 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -129.1 | 38 | -165.3 | -45.4 | -46.3 | 0 | 0 | 0 | 112.4 | I18 V24 A25 Y26 L32 C80 V82 Y83 Y84 I212 | I18-Y22 HydrophobicContact CD1-CD2 3.89Å; I18-Y22 HydrophobicContact CD1-CE2 4Å; I18-Y22 HydrophobicContact CG2-CD2 4.47Å; I18-Y22 CarbonylContact O-C 3.57Å; I18-Y22 WeakPolarHBondContact O-CA 3.48Å; I18-Y22 PolarHBondContact O-N 3.13Å; Y22-V24 VanDerWaalsContact C-N 3.28Å; Y22-V24 PolarHBondContact O-N 3.14Å; Y22-V24 VanDerWaalsContact O-N 3.08Å; Y22-A25 WeakPolarHBondContact O-CA 3.44Å; Y22-A25 WeakPolarHBondContact O-CB 3.44Å; Y22-A25 PolarHBondContact O-N 2.87Å; Y22-Y26 PolarHBondContact O-N 3.22Å; Y22-L32 HydrophobicContact CD2-CD1 4.28Å; Y22-L32 HydrophobicContact CD2-CD2 4.31Å; Y22-C80 HydrophobicContact CD1-CB 3.98Å; Y22-C80 HydrophobicContact CG-CB 4.4Å; Y22-V82 WeakPolarHBondContact CD1-O 3.26Å; Y22-V82 WeakPolarHBondContact CE1-O 3.49Å; Y22-Y83 HydrophobicContact CD2-CD2 4.45Å; Y22-Y83 HydrophobicContact CE1-CD2 4.22Å; Y22-Y83 AromaticContact CE2-CD2 3.78Å; Y22-Y83 HydrophobicContact CE2-CD2 3.78Å; Y22-Y83 AromaticContact CE2-CE2 3.85Å; Y22-Y83 HydrophobicContact CE2-CE2 3.85Å; Y22-Y83 AromaticContact CZ-CD2 3.65Å; Y22-Y84 PolarHBondContact OH-N 3.08Å; Y22-Y84 PolarHBondContact OH-O 3.08Å; Y22-I212 HydrophobicContact CD1-CD1 4.49Å; Y22-I212 HydrophobicContact CE1-CD1 4.05Å |
| 23 | L | 89.3 | Confident | 92.3 | Very high | 89 Ų | 89 | 59.4 Ų | 59.4 | 47% | 0.466 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -44.9 | -45.2 | -172.9 | -176.1 | 60.6 | 0 | 0 | 0 | 114.7 | K19 Y26 M27 | K19-L23 WeakPolarHBondContact O-CB 3.45Å; L23-Y26 PolarHBondContact O-N 2.95Å; L23-M27 HydrophobicContact CD1-CG 4.23Å; L23-M27 HydrophobicContact CD1-SD 4.16Å; L23-M27 HydrophobicContact CG-CG 4.49Å; L23-M27 HydrophobicContact CG-SD 4Å; L23-M27 WeakPolarHBondContact O-CG 3.32Å; L23-M27 PolarHBondContact O-N 3.38Å |
| 24 | V | 87.2 | Confident | 92.4 | Very high | 81 Ų | 81 | 59.8 Ų | 59.8 | 49% | 0.491 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.6 | -45 | 180 | -179.4 | 0 | 0 | 0 | 0 | 111.3 | Y22 Y26 M27 Q28 | Y22-V24 VanDerWaalsContact C-N 3.28Å; Y22-V24 PolarHBondContact O-N 3.14Å; Y22-V24 VanDerWaalsContact O-N 3.08Å; V24-Y26 VanDerWaalsContact C-N 3.31Å; V24-Y26 PolarHBondContact O-N 3.47Å; V24-M27 PolarHBondContact O-N 3.24Å; V24-Q28 WeakPolarHBondContact O-CB 3.33Å; V24-Q28 WeakPolarHBondContact O-CG 3.38Å; V24-Q28 PolarHBondContact O-N 3.44Å |
| 25 | A | 90 | Very high | 92.5 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y22 G29 S30 S79 | Y22-A25 WeakPolarHBondContact O-CA 3.44Å; Y22-A25 WeakPolarHBondContact O-CB 3.44Å; Y22-A25 PolarHBondContact O-N 2.87Å; A25-G29 PolarHBondContact O-N 3.4Å; A25-S30 WeakPolarHBondContact O-CB 3.44Å; A25-S30 PolarHBondContact O-N 2.81Å; A25-S30 PolarHBondContact O-OG 3.19Å; A25-S79 WeakPolarHBondContact CB-OG 3.34Å |
| 26 | Y | 89.1 | Confident | 92.5 | Very high | 93 Ų | 93 | 54.4 Ų | 54.4 | 37% | 0.365 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.9 | -50 | 174.8 | 179.6 | -89.9 | 0 | 0 | 0 | 112.1 | I18 K19 Y22 L23 V24 Q28 G29 | I18-Y26 HydrophobicContact CG2-CD2 4.15Å; K19-Y26 HydrophobicContact CD-CE1 4.39Å; K19-Y26 WeakPolarHBondContact CE-OH 3.5Å; K19-Y26 HydrophobicContact CG-CD1 3.9Å; K19-Y26 HydrophobicContact CG-CD2 4.03Å; K19-Y26 HydrophobicContact CG-CE1 3.95Å; K19-Y26 HydrophobicContact CG-CE2 4.05Å; K19-Y26 HydrophobicContact CG-CG 3.97Å; Y22-Y26 PolarHBondContact O-N 3.22Å; L23-Y26 PolarHBondContact O-N 2.95Å; V24-Y26 VanDerWaalsContact C-N 3.31Å; V24-Y26 PolarHBondContact O-N 3.47Å; Y26-Q28 VanDerWaalsContact C-N 3.27Å; Y26-Q28 PolarHBondContact O-N 3.1Å; Y26-G29 PolarHBondContact O-N 3.4Å |
| 27 | M | 84.9 | Confident | 92.2 | Very high | 110 Ų | 110 | 52.4 Ų | 52.4 | 54% | 0.542 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.4 | -36.2 | 178.5 | -72.1 | 175.6 | 68 | 0 | 0 | 112.5 | L23 V24 G29 T855 | L23-M27 HydrophobicContact CD1-CG 4.23Å; L23-M27 HydrophobicContact CD1-SD 4.16Å; L23-M27 HydrophobicContact CG-CG 4.49Å; L23-M27 HydrophobicContact CG-SD 4Å; L23-M27 WeakPolarHBondContact O-CG 3.32Å; L23-M27 PolarHBondContact O-N 3.38Å; V24-M27 PolarHBondContact O-N 3.24Å; M27-G29 PolarHBondContact O-N 2.81Å; M27-T855 HydrophobicContact CE-CG2 4.3Å |
| 28 | Q | 87.8 | Confident | 91.3 | Very high | 100 Ų | 100 | 54.8 Ų | 54.8 | 47% | 0.467 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | 2.2 | 175.8 | -70.2 | 177.4 | -28.1 | 0 | 0 | 114.2 | V24 Y26 S30 | V24-Q28 WeakPolarHBondContact O-CB 3.33Å; V24-Q28 WeakPolarHBondContact O-CG 3.38Å; V24-Q28 PolarHBondContact O-N 3.44Å; Y26-Q28 VanDerWaalsContact C-N 3.27Å; Y26-Q28 PolarHBondContact O-N 3.1Å; Q28-S30 PolarHBondContact O-N 3.11Å |
| 29 | G | 89.2 | Confident | 90.1 | Very high | 60 Ų | 60 | 56.8 Ų | 56.8 | 62% | 0.619 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 25.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A25 Y26 M27 K31 | A25-G29 PolarHBondContact O-N 3.4Å; Y26-G29 PolarHBondContact O-N 3.4Å; M27-G29 PolarHBondContact O-N 2.81Å; G29-K31 PolarHBondContact O-N 3.11Å |
| 30 | S | 92.4 | Very high | 88.5 | Confident | 32 Ų | 32 | 59.1 Ų | 59.1 | 22% | 0.224 | 33% | 0.329 | C | S | . | . | trans | -64.4 | 127 | -174.9 | -65.7 | 0 | 0 | 0 | 0 | 111 | A25 Q28 L32 S79 | A25-S30 WeakPolarHBondContact O-CB 3.44Å; A25-S30 PolarHBondContact O-N 2.81Å; A25-S30 PolarHBondContact O-OG 3.19Å; Q28-S30 PolarHBondContact O-N 3.11Å; S30-L32 PolarHBondContact O-N 2.89Å; S30-L32 VanDerWaalsContact O-N 3.09Å; S30-S79 PolarHBondContact OG-OG 3.39Å | ||
| 31 | K | 94.7 | Very high | 87 | Confident | 156 Ų | 156 | 60.5 Ų | 60.5 | 68% | 0.678 | 33% | 0.333 | S | S | * | . | trans | -69.4 | 107.2 | 175.3 | -65.9 | -163.5 | 176.7 | -166.7 | 0 | 110.8 | G29 P77 | G29-K31 PolarHBondContact O-N 3.11Å; K31-P77 WeakPolarHBondContact O-CG 3.49Å | ||
| 32 | L | 96.8 | Very high | 85.5 | Confident | 12 Ų | 12 | 59.8 Ų | 59.8 | 6% | 0.063 | 33% | 0.329 | C | S | . | . | trans | -82.3 | 158.7 | 174.4 | -69.5 | 163.5 | 0 | 0 | 0 | 111.1 | L13 I18 Y22 S30 T34 H74 P77 C80 Y83 | L13-L32 HydrophobicContact CD1-CB 3.76Å; L13-L32 HydrophobicContact CD1-CD1 4.01Å; I18-L32 HydrophobicContact CD1-CD1 4.09Å; I18-L32 HydrophobicContact CG1-CD1 4.33Å; I18-L32 HydrophobicContact CG2-CD1 3.42Å; I18-L32 VanDerWaalsContact CG2-CD1 3.42Å; Y22-L32 HydrophobicContact CD2-CD1 4.28Å; Y22-L32 HydrophobicContact CD2-CD2 4.31Å; S30-L32 PolarHBondContact O-N 2.89Å; S30-L32 VanDerWaalsContact O-N 3.09Å; L32-T34 WeakPolarHBondContact O-CG2 3.49Å; L32-T34 PolarHBondContact O-N 3.31Å; L32-H74 PolarHBondContact O-CD2 2.92Å; L32-P77 HydrophobicContact CD2-CG 4.01Å; L32-C80 VanDerWaalsContact CD2-SG 3.54Å; L32-Y83 HydrophobicContact CD2-CD2 4.33Å; L32-Y83 HydrophobicContact CD2-CE2 4.15Å | ||
| 33 | P | 97 | Very high | 84.1 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 36% | 0.363 | C | S | . | . | trans | -58.2 | 129.6 | 167.5 | -20 | 31.3 | 0 | 0 | 0 | 111.2 | A72 D73 I76 Y83 P184 F199 | P33-A72 HydrophobicContact CB-CB 3.9Å; P33-D73 WeakPolarHBondContact CA-OD1 3.41Å; P33-I76 HydrophobicContact CG-CG1 4.36Å; P33-Y83 HydrophobicContact CG-CE1 4.21Å; P33-Y83 HydrophobicContact CG-CE2 4.42Å; P33-P184 HydrophobicContact CB-CG 4.11Å; P33-P184 HydrophobicContact CG-CG 3.92Å; P33-F199 HydrophobicContact CB-CD1 3.88Å; P33-F199 HydrophobicContact CB-CE1 4.08Å; P33-F199 HydrophobicContact CB-CG 4.36Å; P33-F199 WeakPolarHBondContact O-CB 3.3Å | ||
| 34 | T | 96.3 | Very high | 83.5 | Confident | 34 Ų | 34 | 66.8 Ų | 66.8 | 21% | 0.209 | 37% | 0.369 | C | S | . | . | trans | -124.5 | -28.5 | 178.7 | 81.8 | 0 | 0 | 0 | 0 | 113.6 | L13 L32 D73 F199 H201 | L13-T34 HydrophobicContact CD1-CG2 4.07Å; L13-T34 HydrophobicContact CG-CG2 4.23Å; L32-T34 WeakPolarHBondContact O-CG2 3.49Å; L32-T34 PolarHBondContact O-N 3.31Å; T34-D73 PolarHBondContact N-OD1 2.92Å; T34-D73 PolarHBondContact N-OD2 3.13Å; T34-D73 PolarHBondContact OG1-OD2 3.17Å; T34-F199 WeakPolarHBondContact O-CD2 3.39Å; T34-H201 PolarHBondContact O-CE1 2.6Å; T34-H201 PolarHBondContact O-NE2 2.57Å | ||
| 35 | S | 95.3 | Very high | 83.5 | Confident | 21 Ų | 21 | 63 Ų | 63 | 15% | 0.147 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -148.4 | 166.3 | -170.5 | 68.4 | 0 | 0 | 0 | 0 | 112.3 | G51 A72 D73 | S35-G51 CarbonylContact C-O 3.48Å; S35-G51 VanDerWaalsContact CA-O 3.24Å; S35-G51 WeakPolarHBondContact CA-O 3.32Å; S35-G51 WeakPolarHBondContact CB-O 3.44Å; S35-A72 CarbonylContact O-C 3.55Å; S35-A72 WeakPolarHBondContact O-CA 3.08Å; S35-D73 WeakPolarHBondContact CB-OD2 3.27Å; S35-D73 VanDerWaalsContact N-CG 3.34Å; S35-D73 PolarHBondContact N-OD1 2.89Å; S35-D73 PolarHBondContact N-OD2 2.96Å; S35-D73 PolarHBondContact O-N 3.05Å; S35-D73 WeakPolarHBondContact OG-CB 3.39Å; S35-D73 VanDerWaalsContact OG-CG 3.26Å; S35-D73 PolarHBondContact OG-OD2 2.97Å |
| 36 | L | 93.8 | Very high | 83.4 | Confident | 9 Ų | 9 | 68.3 Ų | 68.3 | 5% | 0.047 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 132.9 | 175.6 | -71.6 | -179.4 | 0 | 0 | 0 | 110.8 | V47 G51 A54 I70 I186 V197 F199 | L36-V47 HydrophobicContact CB-CG1 4.24Å; L36-V47 HydrophobicContact CB-CG2 3.65Å; L36-V47 HydrophobicContact CD1-CG2 4.34Å; L36-G51 PolarHBondContact N-O 3.3Å; L36-A54 HydrophobicContact CD1-CB 3.78Å; L36-I70 HydrophobicContact CB-CG2 3.8Å; L36-I70 HydrophobicContact CD1-CG2 4.42Å; L36-I70 HydrophobicContact CD2-CG2 4.08Å; L36-I70 HydrophobicContact CG-CG2 4.33Å; L36-I186 HydrophobicContact CD1-CD1 4.24Å; L36-I186 HydrophobicContact CD2-CD1 4.32Å; L36-V197 HydrophobicContact CD1-CG2 3.69Å; L36-V197 HydrophobicContact CD2-CG2 4.29Å; L36-V197 HydrophobicContact CG-CG2 4.07Å; L36-F199 HydrophobicContact CD2-CZ 4.02Å; L36-F199 HydrophobicContact CG-CZ 4.45Å |
| 37 | V | 88.9 | Confident | 83.4 | Confident | 72 Ų | 72 | 65 Ų | 65 | 44% | 0.436 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 114 | -178.5 | 175.6 | 0 | 0 | 0 | 0 | 111.9 | N39 K71 D73 | V37-N39 PolarHBondContact O-N 3.25Å; V37-K71 PolarHBondContact N-O 3.22Å; V37-D73 HydrophobicContact CG2-CB 3.8Å |
| 38 | T | 76.7 | Confident | 83.6 | Confident | 68 Ų | 68 | 66.3 Ų | 66.3 | 42% | 0.417 | 36% | 0.359 | S | S | . | . | trans | -73 | 111.4 | 166.8 | 53.1 | 0 | 0 | 0 | 0 | 110.2 | V45 V47 I70 | T38-V45 WeakPolarHBondContact CG2-O 3.48Å; T38-V47 HydrophobicContact CG2-CB 4.03Å; T38-V47 HydrophobicContact CG2-CG2 3.69Å; T38-I70 HydrophobicContact CG2-CD1 4.36Å | ||
| 39 | N | 69.3 | Low | 83.4 | Confident | 48 Ų | 48 | 64.8 Ų | 64.8 | 26% | 0.257 | 37% | 0.37 | S | S | . | . | trans | -78.7 | 166.3 | 164.7 | 66.5 | 74.6 | 0 | 0 | 0 | 110.5 | V37 K41 C42 T109 | V37-N39 PolarHBondContact O-N 3.25Å; N39-K41 PolarHBondContact O-N 3.19Å; N39-K41 VanDerWaalsContact O-N 3.11Å; N39-K41 WeakPolarHBondContact OD1-CA 3.42Å; N39-K41 VanDerWaalsContact OD1-CB 3.27Å; N39-K41 WeakPolarHBondContact OD1-CB 3.35Å; N39-K41 PolarHBondContact OD1-N 3.35Å; N39-C42 PolarHBondContact ND2-SG 2.94Å; N39-C42 WeakPolarHBondContact O-CB 3.24Å; N39-C42 PolarHBondContact O-N 3.25Å; N39-C42 PolarHBondContact OD1-N 3.14Å; N39-T109 WeakPolarHBondContact ND2-CG2 3.09Å | ||
| 40 | S | 59.1 | Low | 83.3 | Confident | 117 Ų | 117 | 64 Ų | 64 | 82% | 0.818 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -62.3 | -19.5 | -176.1 | 53.5 | 0 | 0 | 0 | 0 | 115.2 | ||
| 41 | K | 59.4 | Low | 83.3 | Confident | 150 Ų | 150 | 63 Ų | 63 | 65% | 0.652 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -79.3 | -22.6 | 173.4 | -53.8 | 176.4 | 179.3 | 177.4 | 0 | 112.2 | N39 S43 | N39-K41 PolarHBondContact O-N 3.19Å; N39-K41 VanDerWaalsContact O-N 3.11Å; N39-K41 WeakPolarHBondContact OD1-CA 3.42Å; N39-K41 VanDerWaalsContact OD1-CB 3.27Å; N39-K41 WeakPolarHBondContact OD1-CB 3.35Å; N39-K41 PolarHBondContact OD1-N 3.35Å; K41-S43 PolarHBondContact O-N 3.45Å |
| 42 | C | 63.4 | Low | 83.2 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.014 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -80.4 | 18.8 | 176.1 | -62.1 | 0 | 0 | 0 | 0 | 113.5 | N39 K44 V45 V68 V69 | N39-C42 PolarHBondContact ND2-SG 2.94Å; N39-C42 WeakPolarHBondContact O-CB 3.24Å; N39-C42 PolarHBondContact O-N 3.25Å; N39-C42 PolarHBondContact OD1-N 3.14Å; C42-K44 PolarHBondContact O-N 2.86Å; C42-V45 PolarHBondContact O-N 2.92Å; C42-V45 VanDerWaalsContact O-O 3.07Å; C42-V68 HydrophobicContact CB-CG1 3.91Å; C42-V68 VanDerWaalsContact SG-CG1 3.52Å; C42-V69 PolarHBondContact SG-O 2.8Å |
| 43 | S | 65 | Low | 83.1 | Confident | 102 Ų | 102 | 57.2 Ų | 57.2 | 71% | 0.713 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -7.4 | -171.5 | 59.7 | 0 | 0 | 0 | 0 | 116.7 | K41 | K41-S43 PolarHBondContact O-N 3.45Š|
| 44 | K | 78.3 | Confident | 82.9 | Confident | 135 Ų | 135 | 57.2 Ų | 57.2 | 59% | 0.587 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | 5.1 | 174.1 | -52.2 | -172.6 | -177.9 | -178.1 | 0 | 114.2 | C42 M57 R58 | C42-K44 PolarHBondContact O-N 2.86Å; K44-M57 WeakPolarHBondContact O-CA 3.49Å; K44-M57 WeakPolarHBondContact O-CB 3.46Å; K44-M57 PolarHBondContact O-N 3.09Å; K44-R58 HydrophobicContact CB-CG 3.57Å; K44-R58 HydrophobicContact CD-CG 3.92Å; K44-R58 HydrophobicContact CG-CG 4.39Å |
| 45 | V | 86 | Confident | 82.6 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.012 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 109 | 172.1 | -172.1 | 0 | 0 | 0 | 0 | 107.7 | T38 C42 V55 D56 V68 I70 F188 | T38-V45 WeakPolarHBondContact CG2-O 3.48Å; C42-V45 PolarHBondContact O-N 2.92Å; C42-V45 VanDerWaalsContact O-O 3.07Å; V45-V55 CarbonylContact C-O 3.55Å; V45-V55 VanDerWaalsContact CA-O 3.3Å; V45-V55 WeakPolarHBondContact CA-O 3.49Å; V45-V55 WeakPolarHBondContact CG1-O 3.34Å; V45-D56 HydrophobicContact CG2-CB 4.35Å; V45-V68 HydrophobicContact CB-CG1 4.23Å; V45-V68 HydrophobicContact CG2-CB 3.9Å; V45-V68 HydrophobicContact CG2-CG1 3.72Å; V45-V68 HydrophobicContact CG2-CG2 4.41Å; V45-I70 HydrophobicContact CB-CD1 3.99Å; V45-I70 HydrophobicContact CG1-CD1 3.49Å; V45-I70 VanDerWaalsContact CG1-CD1 3.49Å; V45-I70 HydrophobicContact CG1-CG1 4.49Å; V45-F188 HydrophobicContact CG1-CD2 3.85Å; V45-F188 HydrophobicContact CG1-CE2 4.05Å; V45-F188 HydrophobicContact CG1-CG 4.18Å; V45-F188 HydrophobicContact CG2-CB 4.5Å |
| 46 | Q | 88.2 | Confident | 82.3 | Confident | 112 Ų | 112 | 54.9 Ų | 54.9 | 52% | 0.523 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 130 | -170.5 | -176 | 176.1 | 16.4 | 0 | 0 | 110.7 | A54 V55 M57 | Q46-A54 CarbonylContact O-C 3.53Å; Q46-A54 WeakPolarHBondContact O-CA 3.44Å; Q46-V55 PolarHBondContact N-O 3.21Å; Q46-V55 PolarHBondContact O-N 3.23Å; Q46-M57 HydrophobicContact CB-CG 3.9Å |
| 47 | V | 89.6 | Confident | 81.9 | Confident | 24 Ų | 24 | 59.5 Ų | 59.5 | 15% | 0.145 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 134.8 | 163.1 | 175 | 0 | 0 | 0 | 0 | 108.3 | L36 T38 T53 A54 I70 | L36-V47 HydrophobicContact CB-CG1 4.24Å; L36-V47 HydrophobicContact CB-CG2 3.65Å; L36-V47 HydrophobicContact CD1-CG2 4.34Å; T38-V47 HydrophobicContact CG2-CB 4.03Å; T38-V47 HydrophobicContact CG2-CG2 3.69Å; V47-T53 WeakPolarHBondContact CA-O 3.24Å; V47-A54 HydrophobicContact CG2-CB 4.21Å; V47-I70 HydrophobicContact CG2-CD1 4.2Å; V47-I70 HydrophobicContact CG2-CG2 4.42Å |
| 48 | R | 88.1 | Confident | 81.5 | Confident | 136 Ų | 136 | 57.6 Ų | 57.6 | 51% | 0.513 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 166.8 | 178.1 | -69.7 | -174.3 | 168.4 | -164.1 | -7 | 111.5 | D50 G51 T53 | R48-D50 PolarHBondContact O-N 2.98Å; R48-G51 PolarHBondContact O-N 3.36Å; R48-T53 HydrophobicContact CG-CG2 4.44Å; R48-T53 PolarHBondContact N-O 3.17Å |
| 49 | G | 83.6 | Confident | 81.4 | Confident | 68 Ų | 68 | 58.2 Ų | 58.2 | 70% | 0.701 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 10.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 50 | D | 87.8 | Confident | 81.2 | Confident | 44 Ų | 44 | 61.5 Ų | 61.5 | 24% | 0.235 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -1.4 | 166.4 | 68.6 | -10.5 | 0 | 0 | 0 | 112.7 | R48 R52 T53 | R48-D50 PolarHBondContact O-N 2.98Å; D50-R52 WeakPolarHBondContact O-CG 3.36Å; D50-R52 PolarHBondContact O-N 3.47Å; D50-R52 PolarHBondContact O-NE 3.01Å; D50-R52 PolarHBondContact OD1-N 3.37Å; D50-T53 PolarHBondContact OD1-N 3.33Å; D50-T53 VanDerWaalsContact OD2-CB 3.24Å; D50-T53 WeakPolarHBondContact OD2-CB 3.2Å; D50-T53 PolarHBondContact OD2-N 2.99Å; D50-T53 PolarHBondContact OD2-OG1 3.36Å |
| 51 | G | 91.4 | Very high | 80.8 | Confident | 12 Ų | 12 | 60.6 Ų | 60.6 | 12% | 0.124 | 32% | 0.324 | C | S | . | . | S | Bend | trans | 67.4 | -2.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S35 L36 R48 | S35-G51 CarbonylContact C-O 3.48Å; S35-G51 VanDerWaalsContact CA-O 3.24Å; S35-G51 WeakPolarHBondContact CA-O 3.32Å; S35-G51 WeakPolarHBondContact CB-O 3.44Å; L36-G51 PolarHBondContact N-O 3.3Å; R48-G51 PolarHBondContact O-N 3.36Å |
| 52 | R | 93.9 | Very high | 80.2 | Confident | 36 Ų | 36 | 61.4 Ų | 61.4 | 14% | 0.136 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -132.9 | -18.4 | -160.1 | -67.5 | 179.4 | -60.5 | 137.4 | -8.5 | 114.3 | D50 S196 V197 H201 H202 | D50-R52 WeakPolarHBondContact O-CG 3.36Å; D50-R52 PolarHBondContact O-N 3.47Å; D50-R52 PolarHBondContact O-NE 3.01Å; D50-R52 PolarHBondContact OD1-N 3.37Å; R52-S196 CarbonylContact O-C 3.42Å; R52-S196 WeakPolarHBondContact O-CA 3.33Å; R52-V197 WeakPolarHBondContact O-CG2 3.46Å; R52-V197 PolarHBondContact O-N 3.04Å; R52-H201 WeakPolarHBondContact CD-CE1 3.49Å; R52-H201 WeakPolarHBondContact CD-ND1 3.29Å; R52-H202 PolarHBondContact NH1-NE2 3.26Å; R52-H202 VanDerWaalsContact NH1-NE2 3.1Å |
| 53 | T | 93.9 | Very high | 79.6 | Confident | 10 Ų | 10 | 69.9 Ų | 69.9 | 6% | 0.061 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 111.4 | 176.2 | -58.9 | 0 | 0 | 0 | 0 | 110.4 | V47 R48 D50 V55 V195 S196 | V47-T53 WeakPolarHBondContact CA-O 3.24Å; R48-T53 HydrophobicContact CG-CG2 4.44Å; R48-T53 PolarHBondContact N-O 3.17Å; D50-T53 PolarHBondContact OD1-N 3.33Å; D50-T53 VanDerWaalsContact OD2-CB 3.24Å; D50-T53 WeakPolarHBondContact OD2-CB 3.2Å; D50-T53 PolarHBondContact OD2-N 2.99Å; D50-T53 PolarHBondContact OD2-OG1 3.36Å; T53-V55 HydrophobicContact CG2-CG2 4.43Å; T53-V195 CarbonylContact C-O 3.54Å; T53-V195 WeakPolarHBondContact CA-O 3.49Å; T53-S196 PolarHBondContact OG1-OG 3.25Å |
| 54 | A | 92.7 | Very high | 79.2 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 138.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L36 Q46 V47 I70 F188 V195 | L36-A54 HydrophobicContact CD1-CB 3.78Å; Q46-A54 CarbonylContact O-C 3.53Å; Q46-A54 WeakPolarHBondContact O-CA 3.44Å; V47-A54 HydrophobicContact CG2-CB 4.21Å; A54-I70 HydrophobicContact CB-CD1 4.26Å; A54-F188 HydrophobicContact CB-CE2 3.86Å; A54-F188 HydrophobicContact CB-CZ 3.63Å; A54-V195 PolarHBondContact N-O 3.45Å; A54-V195 PolarHBondContact O-N 3.37Å |
| 55 | V | 90.4 | Very high | 78.8 | Confident | 6 Ų | 6 | 67.6 Ų | 67.6 | 4% | 0.036 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 126.9 | -178.5 | -176.9 | 0 | 0 | 0 | 0 | 109.9 | V45 Q46 T53 M57 C193 H194 | V45-V55 CarbonylContact C-O 3.55Å; V45-V55 VanDerWaalsContact CA-O 3.3Å; V45-V55 WeakPolarHBondContact CA-O 3.49Å; V45-V55 WeakPolarHBondContact CG1-O 3.34Å; Q46-V55 PolarHBondContact N-O 3.21Å; Q46-V55 PolarHBondContact O-N 3.23Å; T53-V55 HydrophobicContact CG2-CG2 4.43Å; V55-M57 HydrophobicContact CB-SD 4.21Å; V55-M57 HydrophobicContact CG1-CG 4.43Å; V55-M57 HydrophobicContact CG1-SD 3.6Å; V55-M57 PolarHBondContact O-N 3.07Å; V55-C193 WeakPolarHBondContact CA-O 3.39Å; V55-H194 WeakPolarHBondContact CG1-NE2 3.39Å; V55-H194 HydrophobicContact CG2-CB 4.47Å |
| 56 | D | 88.6 | Confident | 78.6 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 96.9 | 174.9 | -174.1 | -9.3 | 0 | 0 | 0 | 110.3 | V45 R58 F188 C190 N192 C193 | V45-D56 HydrophobicContact CG2-CB 4.35Å; D56-R58 PolarHBondContact O-N 3.46Å; D56-R58 VanDerWaalsContact OD1-CB 3.28Å; D56-R58 WeakPolarHBondContact OD1-CB 3.47Å; D56-R58 VanDerWaalsContact OD1-CG 3.29Å; D56-R58 WeakPolarHBondContact OD1-CG 3.47Å; D56-R58 IonicContact OD1-CZ 3.79Å; D56-R58 PolarHBondContact OD1-N 2.92Å; D56-R58 IonicContact OD1-NE 2.76Å; D56-R58 PolarHBondContact OD1-NE 3.36Å; D56-R58 IonicContact OD1-NH2 2.75Å; D56-R58 IonicContact OD2-CZ 3.23Å; D56-R58 IonicContact OD2-NE 2.7Å; D56-R58 PolarHBondContact OD2-NE 2.87Å; D56-R58 IonicContact OD2-NH2 2.72Å; D56-R58 PolarHBondContact OD2-NH2 3.03Å; D56-F188 HydrophobicContact CB-CB 4.16Å; D56-F188 HydrophobicContact CB-CD1 3.82Å; D56-F188 HydrophobicContact CB-CG 4.25Å; D56-C190 WeakPolarHBondContact CB-O 3.29Å; D56-C190 PolarHBondContact OD2-N 3.5Å; D56-N192 WeakPolarHBondContact O-CA 3.46Å; D56-N192 PolarHBondContact O-N 2.9Å; D56-C193 PolarHBondContact N-O 3.08Å |
| 57 | M | 85 | Confident | 78.5 | Confident | 105 Ų | 105 | 68.1 Ų | 68.1 | 52% | 0.517 | 37% | 0.368 | S | S | . | . | trans | -80.6 | 14.5 | -176.1 | -58.5 | -64.8 | -71.1 | 0 | 0 | 113 | K44 Q46 V55 | K44-M57 WeakPolarHBondContact O-CA 3.49Å; K44-M57 WeakPolarHBondContact O-CB 3.46Å; K44-M57 PolarHBondContact O-N 3.09Å; Q46-M57 HydrophobicContact CB-CG 3.9Å; V55-M57 HydrophobicContact CB-SD 4.21Å; V55-M57 HydrophobicContact CG1-CG 4.43Å; V55-M57 HydrophobicContact CG1-SD 3.6Å; V55-M57 PolarHBondContact O-N 3.07Å | ||
| 58 | R | 80.8 | Confident | 78.5 | Confident | 33 Ų | 33 | 67.9 Ų | 67.9 | 13% | 0.125 | 37% | 0.367 | C | S | . | . | trans | -70.6 | 146.5 | 173.9 | -70.7 | 179 | -78 | -162.1 | -1.3 | 110.9 | K44 D56 L66 F188 P191 | K44-R58 HydrophobicContact CB-CG 3.57Å; K44-R58 HydrophobicContact CD-CG 3.92Å; K44-R58 HydrophobicContact CG-CG 4.39Å; D56-R58 PolarHBondContact O-N 3.46Å; D56-R58 VanDerWaalsContact OD1-CB 3.28Å; D56-R58 WeakPolarHBondContact OD1-CB 3.47Å; D56-R58 VanDerWaalsContact OD1-CG 3.29Å; D56-R58 WeakPolarHBondContact OD1-CG 3.47Å; D56-R58 IonicContact OD1-CZ 3.79Å; D56-R58 PolarHBondContact OD1-N 2.92Å; D56-R58 IonicContact OD1-NE 2.76Å; D56-R58 PolarHBondContact OD1-NE 3.36Å; D56-R58 IonicContact OD1-NH2 2.75Å; D56-R58 IonicContact OD2-CZ 3.23Å; D56-R58 IonicContact OD2-NE 2.7Å; D56-R58 PolarHBondContact OD2-NE 2.87Å; D56-R58 IonicContact OD2-NH2 2.72Å; D56-R58 PolarHBondContact OD2-NH2 3.03Å; R58-L66 PolarHBondContact NH1-O 3.45Å; R58-F188 PolarHBondContact NH2-O 2.82Å; R58-P191 HydrophobicContact CB-CG 4.14Å; R58-P191 WeakPolarHBondContact O-CA 3.38Å; R58-P191 VanDerWaalsContact O-CB 3.27Å; R58-P191 WeakPolarHBondContact O-CB 3.43Å | ||
| 59 | S | 74.1 | Confident | 78.7 | Confident | 81 Ų | 81 | 61.6 Ų | 61.6 | 57% | 0.566 | 34% | 0.343 | S | S | * | . | trans | -75.1 | 153.8 | 170.9 | -177.4 | 0 | 0 | 0 | 0 | 111.1 | V61 P191 | S59-V61 PolarHBondContact O-N 3.33Å; S59-V61 PolarHBondContact OG-N 3.26Å; S59-P191 WeakPolarHBondContact O-CG 3.09Å | ||
| 60 | H | 65.2 | Low | 79.1 | Confident | 116 Ų | 116 | 58.3 Ų | 58.3 | 54% | 0.537 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -69.1 | -6 | 172.6 | -62.6 | -74.3 | 0 | 0 | 0 | 113.7 | P191 N192 | H60-P191 PolarHBondContact CE1-O 3.48Å; H60-N192 PolarHBondContact NE2-ND2 3.12Å |
| 61 | V | 52.7 | Low | 79.4 | Confident | 99 Ų | 99 | 57.7 Ų | 57.7 | 60% | 0.6 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -100.5 | 115.3 | -168.4 | -164.9 | 0 | 0 | 0 | 0 | 111.3 | S59 | S59-V61 PolarHBondContact O-N 3.33Å; S59-V61 PolarHBondContact OG-N 3.26Å |
| 62 | H | 46.4 | Very low | 79.6 | Confident | 167 Ų | 167 | 57.3 Ų | 57.3 | 77% | 0.773 | 30% | 0.301 | S | S | * | . | S | Bend | trans | 85.6 | 126.6 | 175.5 | -61.4 | -66.4 | 0 | 0 | 0 | 120.5 | ||
| 63 | Q | 50.3 | Low | 79.6 | Confident | 180 Ų | 180 | 57.2 Ų | 57.2 | 84% | 0.841 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 67.7 | 167.1 | 154.7 | -69.2 | 178.7 | -13.8 | 0 | 0 | 118.4 | V65 | Q63-V65 PolarHBondContact O-N 3.3Š|
| 64 | T | 57.3 | Low | 79.6 | Confident | 133 Ų | 133 | 59.5 Ų | 59.5 | 82% | 0.816 | 31% | 0.313 | S | S | * | . | trans | -63.9 | 102.9 | -176 | 45.2 | 0 | 0 | 0 | 0 | 110.8 | L66 | T64-L66 PolarHBondContact O-N 3.42Š| ||
| 65 | V | 69.4 | Low | 79.8 | Confident | 56 Ų | 56 | 61.3 Ų | 61.3 | 34% | 0.339 | 33% | 0.325 | S | S | . | . | trans | -68.8 | 103.1 | -177.7 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | Q63 A189 | Q63-V65 PolarHBondContact O-N 3.3Å; V65-A189 HydrophobicContact CB-CB 4.4Å; V65-A189 HydrophobicContact CG1-CB 4.07Å; V65-A189 WeakPolarHBondContact O-CB 3.46Å | ||
| 66 | L | 80.6 | Confident | 80.2 | Confident | 114 Ų | 114 | 61 Ų | 61 | 60% | 0.597 | 32% | 0.323 | S | S | * | . | trans | -58.7 | 144.7 | 171.2 | -67.7 | 176.5 | 0 | 0 | 0 | 110.5 | R58 T64 | R58-L66 PolarHBondContact NH1-O 3.45Å; T64-L66 PolarHBondContact O-N 3.42Å | ||
| 67 | P | 87.6 | Confident | 80.5 | Confident | 10 Ų | 10 | 62 Ų | 62 | 7% | 0.065 | 33% | 0.329 | C | S | . | . | trans | -62.3 | 145.5 | 174.5 | 26.7 | -32.6 | 0 | 0 | 0 | 110.7 | N110 W112 F188 | P67-N110 WeakPolarHBondContact CG-O 3.34Å; P67-N110 WeakPolarHBondContact O-CA 3.46Å; P67-W112 HydrophobicContact CB-CD2 3.65Å; P67-W112 HydrophobicContact CB-CE3 3.9Å; P67-W112 HydrophobicContact CB-CG 4.16Å; P67-W112 HydrophobicContact CB-CH2 4.09Å; P67-W112 HydrophobicContact CB-CZ2 3.88Å; P67-W112 HydrophobicContact CB-CZ3 4.11Å; P67-W112 HydrophobicContact CG-CD2 3.98Å; P67-W112 HydrophobicContact CG-CG 4Å; P67-W112 HydrophobicContact CG-CZ2 4.46Å; P67-F188 CarbonylContact C-O 3.59Å; P67-F188 WeakPolarHBondContact CA-O 3.31Å | ||
| 68 | V | 89.4 | Confident | 80.9 | Confident | 19 Ų | 19 | 60.5 Ų | 60.5 | 12% | 0.115 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 115.2 | 170.2 | 171.4 | 0 | 0 | 0 | 0 | 107.3 | C42 V45 A187 F188 | C42-V68 HydrophobicContact CB-CG1 3.91Å; C42-V68 VanDerWaalsContact SG-CG1 3.52Å; V45-V68 HydrophobicContact CB-CG1 4.23Å; V45-V68 HydrophobicContact CG2-CB 3.9Å; V45-V68 HydrophobicContact CG2-CG1 3.72Å; V45-V68 HydrophobicContact CG2-CG2 4.41Å; V68-A187 WeakPolarHBondContact O-CA 3.27Å; V68-F188 PolarHBondContact N-O 3.18Å; V68-F188 PolarHBondContact O-N 2.85Å |
| 69 | V | 91 | Very high | 81.5 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.024 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 124.3 | 179.7 | -170.1 | 0 | 0 | 0 | 0 | 110 | C42 T109 E111 C185 I186 A187 | C42-V69 PolarHBondContact SG-O 2.8Å; V69-T109 PolarHBondContact N-O 3.02Å; V69-E111 WeakPolarHBondContact CG2-O 3.22Å; V69-C185 HydrophobicContact CG1-CB 3.75Å; V69-I186 WeakPolarHBondContact CA-O 3.45Å; V69-A187 HydrophobicContact CG2-CB 4.09Å |
| 70 | I | 92.6 | Very high | 82.4 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 134.2 | 167.7 | -60 | -176.3 | 0 | 0 | 0 | 107.8 | L36 T38 V45 V47 A54 C185 I186 | L36-I70 HydrophobicContact CB-CG2 3.8Å; L36-I70 HydrophobicContact CD1-CG2 4.42Å; L36-I70 HydrophobicContact CD2-CG2 4.08Å; L36-I70 HydrophobicContact CG-CG2 4.33Å; T38-I70 HydrophobicContact CG2-CD1 4.36Å; V45-I70 HydrophobicContact CB-CD1 3.99Å; V45-I70 HydrophobicContact CG1-CD1 3.49Å; V45-I70 VanDerWaalsContact CG1-CD1 3.49Å; V45-I70 HydrophobicContact CG1-CG1 4.49Å; V47-I70 HydrophobicContact CG2-CD1 4.2Å; V47-I70 HydrophobicContact CG2-CG2 4.42Å; A54-I70 HydrophobicContact CB-CD1 4.26Å; I70-C185 VanDerWaalsContact O-CA 3.24Å; I70-C185 WeakPolarHBondContact O-CA 3.3Å; I70-C185 WeakPolarHBondContact O-CB 3.47Å; I70-I186 PolarHBondContact N-O 3.22Å; I70-I186 PolarHBondContact O-N 2.86Å |
| 71 | K | 93.7 | Very high | 83.8 | Confident | 30 Ų | 30 | 54 Ų | 54 | 13% | 0.13 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 160.1 | 176.7 | -55.2 | -173.9 | -171.5 | -175.5 | 0 | 109.4 | V37 C103 S104 S105 S107 P184 C185 | V37-K71 PolarHBondContact N-O 3.22Å; K71-C103 WeakPolarHBondContact CE-SG 3.4Å; K71-S104 PolarHBondContact NZ-O 3.46Å; K71-S105 PolarHBondContact NZ-O 3.07Å; K71-S105 VanDerWaalsContact NZ-O 3.13Å; K71-S107 PolarHBondContact NZ-O 2.98Å; K71-P184 WeakPolarHBondContact CA-O 3.5Å; K71-C185 HydrophobicContact CG-CB 4.29Å |
| 72 | A | 95.4 | Very high | 85.8 | Confident | 5 Ų | 5 | 49.5 Ų | 49.5 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 163 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | P33 S35 H74 P184 F199 | P33-A72 HydrophobicContact CB-CB 3.9Å; S35-A72 CarbonylContact O-C 3.55Å; S35-A72 WeakPolarHBondContact O-CA 3.08Å; A72-H74 VanDerWaalsContact C-N 3.35Å; A72-P184 HydrophobicContact CB-CB 4.13Å; A72-P184 HydrophobicContact CB-CG 4.04Å; A72-P184 PolarHBondContact N-O 3.22Å; A72-F199 HydrophobicContact CB-CE1 4.12Å; A72-F199 HydrophobicContact CB-CZ 3.96Å |
| 73 | D | 94.4 | Very high | 88.3 | Confident | 34 Ų | 34 | 41.6 Ų | 41.6 | 18% | 0.182 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -58.1 | -39.3 | 173 | 50.3 | 4.1 | 0 | 0 | 0 | 114.4 | P33 T34 S35 V37 | P33-D73 WeakPolarHBondContact CA-OD1 3.41Å; T34-D73 PolarHBondContact N-OD1 2.92Å; T34-D73 PolarHBondContact N-OD2 3.13Å; T34-D73 PolarHBondContact OG1-OD2 3.17Å; S35-D73 WeakPolarHBondContact CB-OD2 3.27Å; S35-D73 VanDerWaalsContact N-CG 3.34Å; S35-D73 PolarHBondContact N-OD1 2.89Å; S35-D73 PolarHBondContact N-OD2 2.96Å; S35-D73 PolarHBondContact O-N 3.05Å; S35-D73 WeakPolarHBondContact OG-CB 3.39Å; S35-D73 VanDerWaalsContact OG-CG 3.26Å; S35-D73 PolarHBondContact OG-OD2 2.97Å; V37-D73 HydrophobicContact CG2-CB 3.8Å |
| 74 | H | 95.4 | Very high | 90.6 | Very high | 58 Ų | 58 | 33 Ų | 33 | 27% | 0.269 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -125.8 | 148.8 | -175.9 | -67 | -27.1 | 0 | 0 | 0 | 111.9 | L32 A72 | L32-H74 PolarHBondContact O-CD2 2.92Å; A72-H74 VanDerWaalsContact C-N 3.35Å |
| 75 | P | 96.4 | Very high | 92.6 | Very high | 38 Ų | 38 | 26.7 Ų | 26.7 | 25% | 0.247 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -70.9 | 160.3 | 169.8 | 33 | -35.3 | 0 | 0 | 0 | 110.1 | P77 P181 V182 Y183 | P75-P77 VanDerWaalsContact O-CD 3.28Å; P75-P77 WeakPolarHBondContact O-CD 3.39Å; P75-P181 HydrophobicContact CB-CB 3.67Å; P75-P181 HydrophobicContact CG-CB 4.31Å; P75-V182 CarbonylContact C-O 3.58Å; P75-V182 WeakPolarHBondContact CA-O 3.25Å; P75-V182 WeakPolarHBondContact CB-O 3.49Å; P75-Y183 HydrophobicContact CB-CD1 4.39Å; P75-Y183 HydrophobicContact CB-CD2 4.33Å; P75-Y183 HydrophobicContact CB-CE1 4.01Å; P75-Y183 HydrophobicContact CB-CE2 3.92Å; P75-Y183 HydrophobicContact CG-CE1 4.44Å |
| 76 | I | 97.5 | Very high | 94 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | P | Polyproline II helix | trans | -72.9 | 120.5 | 175 | -53.5 | 174.3 | 0 | 0 | 0 | 109.2 | P33 Y83 V102 V153 F155 V182 P184 | P33-I76 HydrophobicContact CG-CG1 4.36Å; I76-Y83 HydrophobicContact CD1-CD1 3.66Å; I76-Y83 HydrophobicContact CD1-CE1 4.28Å; I76-Y83 HydrophobicContact CD1-CG 4.36Å; I76-Y83 HydrophobicContact CG1-CD1 3.84Å; I76-Y83 HydrophobicContact CG1-CE1 4.2Å; I76-Y83 HydrophobicContact CG1-CG 4.34Å; I76-Y83 HydrophobicContact CG2-CD1 3.87Å; I76-Y83 HydrophobicContact CG2-CD2 4.1Å; I76-Y83 HydrophobicContact CG2-CG 3.49Å; I76-Y83 VanDerWaalsContact CG2-CG 3.49Å; I76-V102 HydrophobicContact CD1-CG1 4.37Å; I76-V153 HydrophobicContact CD1-CB 4.19Å; I76-V153 HydrophobicContact CD1-CG2 3.71Å; I76-F155 HydrophobicContact CB-CE2 4.37Å; I76-F155 HydrophobicContact CB-CZ 4.03Å; I76-F155 HydrophobicContact CG2-CE2 3.6Å; I76-F155 HydrophobicContact CG2-CZ 3.77Å; I76-V182 HydrophobicContact CD1-CB 4.31Å; I76-V182 HydrophobicContact CD1-CG1 3.85Å; I76-V182 PolarHBondContact N-O 2.86Å; I76-P184 HydrophobicContact CD1-CG 4.29Å; I76-P184 HydrophobicContact CG1-CG 4.09Å |
| 77 | P | 95.7 | Very high | 94.8 | Very high | 19 Ų | 19 | 19 Ų | 19 | 12% | 0.123 | 11% | 0.113 | C | C | . | . | P | Polyproline II helix | trans | -66.3 | 134.4 | 174.3 | -20.3 | 33.5 | 0 | 0 | 0 | 111.8 | K31 L32 P75 S79 C80 | K31-P77 WeakPolarHBondContact O-CG 3.49Å; L32-P77 HydrophobicContact CD2-CG 4.01Å; P75-P77 VanDerWaalsContact O-CD 3.28Å; P75-P77 WeakPolarHBondContact O-CD 3.39Å; P77-S79 VanDerWaalsContact CB-OG 3.32Å; P77-S79 WeakPolarHBondContact CB-OG 3.18Å; P77-S79 PolarHBondContact O-N 3.25Å; P77-C80 WeakPolarHBondContact O-CB 3.37Å; P77-C80 PolarHBondContact O-N 3.15Å; P77-C80 VanDerWaalsContact O-N 3.11Å; P77-C80 PolarHBondContact O-SG 2.98Å |
| 78 | V | 93.9 | Very high | 95.2 | Very high | 75 Ų | 75 | 21 Ų | 21 | 46% | 0.455 | 13% | 0.125 | S | C | . | . | G | 310 helix | trans | -62.5 | -28.1 | 175.5 | -172.7 | 0 | 0 | 0 | 0 | 111.3 | C80 S81 F155 H180 | V78-C80 PolarHBondContact O-N 3.42Å; V78-C80 VanDerWaalsContact O-N 3.09Å; V78-S81 PolarHBondContact O-N 3.45Å; V78-F155 HydrophobicContact CG1-CB 4.18Å; V78-F155 HydrophobicContact CG1-CG 4.22Å; V78-H180 WeakPolarHBondContact CG2-CE1 3.44Å |
| 79 | S | 92.1 | Very high | 95.5 | Very high | 27 Ų | 27 | 20 Ų | 20 | 19% | 0.189 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -58.9 | -14.7 | 174 | 47.3 | 0 | 0 | 0 | 0 | 114.6 | A25 S30 P77 S81 | A25-S79 WeakPolarHBondContact CB-OG 3.34Å; S30-S79 PolarHBondContact OG-OG 3.39Å; P77-S79 VanDerWaalsContact CB-OG 3.32Å; P77-S79 WeakPolarHBondContact CB-OG 3.18Å; P77-S79 PolarHBondContact O-N 3.25Å; S79-S81 PolarHBondContact O-N 3.46Å |
| 80 | C | 94.4 | Very high | 95.6 | Very high | 6 Ų | 6 | 22.8 Ų | 22.8 | 4% | 0.041 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -66.6 | -26.3 | 168.8 | -54.6 | 0 | 0 | 0 | 0 | 112.4 | Y22 L32 P77 V78 V82 | Y22-C80 HydrophobicContact CD1-CB 3.98Å; Y22-C80 HydrophobicContact CG-CB 4.4Å; L32-C80 VanDerWaalsContact CD2-SG 3.54Å; P77-C80 WeakPolarHBondContact O-CB 3.37Å; P77-C80 PolarHBondContact O-N 3.15Å; P77-C80 VanDerWaalsContact O-N 3.11Å; P77-C80 PolarHBondContact O-SG 2.98Å; V78-C80 PolarHBondContact O-N 3.42Å; V78-C80 VanDerWaalsContact O-N 3.09Å; C80-V82 WeakPolarHBondContact CB-O 3.49Å; C80-V82 PolarHBondContact O-N 3.02Å; C80-V82 VanDerWaalsContact O-O 3.13Å |
| 81 | S | 93.3 | Very high | 95.2 | Very high | 60 Ų | 60 | 25.6 Ų | 25.6 | 42% | 0.42 | 15% | 0.151 | S | C | . | . | S | Bend | trans | 60.8 | -51.3 | -165.7 | -56.6 | 0 | 0 | 0 | 0 | 114.4 | V78 S79 F155 | V78-S81 PolarHBondContact O-N 3.45Å; S79-S81 PolarHBondContact O-N 3.46Å; S81-F155 PolarHBondContact O-N 3.22Å |
| 82 | V | 95.9 | Very high | 94.1 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.024 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 135.2 | 165.6 | 179.2 | 0 | 0 | 0 | 0 | 107.4 | Y22 C80 V153 N154 F161 I208 Y211 I212 | Y22-V82 WeakPolarHBondContact CD1-O 3.26Å; Y22-V82 WeakPolarHBondContact CE1-O 3.49Å; C80-V82 WeakPolarHBondContact CB-O 3.49Å; C80-V82 PolarHBondContact O-N 3.02Å; C80-V82 VanDerWaalsContact O-O 3.13Å; V82-V153 CarbonylContact C-O 3.55Å; V82-V153 VanDerWaalsContact CA-O 3.26Å; V82-V153 WeakPolarHBondContact CA-O 3.45Å; V82-N154 HydrophobicContact CG2-CB 4.16Å; V82-F161 HydrophobicContact CG1-CE1 4.38Å; V82-I208 HydrophobicContact CG1-CD1 4.24Å; V82-Y211 HydrophobicContact CG1-CD1 4.05Å; V82-Y211 HydrophobicContact CG1-CE1 3.8Å; V82-Y211 HydrophobicContact CG2-CE1 4.22Å; V82-I212 HydrophobicContact CB-CD1 4.21Å; V82-I212 HydrophobicContact CB-CG1 3.96Å; V82-I212 HydrophobicContact CG1-CD1 4.4Å; V82-I212 HydrophobicContact CG1-CG1 4.05Å |
| 83 | Y | 98 | Very high | 92.8 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 154.5 | 171 | -178.4 | -97.1 | 0 | 0 | 0 | 110.4 | Y22 L32 P33 I76 F85 G152 V153 P184 F199 | Y22-Y83 HydrophobicContact CD2-CD2 4.45Å; Y22-Y83 HydrophobicContact CE1-CD2 4.22Å; Y22-Y83 AromaticContact CE2-CD2 3.78Å; Y22-Y83 HydrophobicContact CE2-CD2 3.78Å; Y22-Y83 AromaticContact CE2-CE2 3.85Å; Y22-Y83 HydrophobicContact CE2-CE2 3.85Å; Y22-Y83 AromaticContact CZ-CD2 3.65Å; L32-Y83 HydrophobicContact CD2-CD2 4.33Å; L32-Y83 HydrophobicContact CD2-CE2 4.15Å; P33-Y83 HydrophobicContact CG-CE1 4.21Å; P33-Y83 HydrophobicContact CG-CE2 4.42Å; I76-Y83 HydrophobicContact CD1-CD1 3.66Å; I76-Y83 HydrophobicContact CD1-CE1 4.28Å; I76-Y83 HydrophobicContact CD1-CG 4.36Å; I76-Y83 HydrophobicContact CG1-CD1 3.84Å; I76-Y83 HydrophobicContact CG1-CE1 4.2Å; I76-Y83 HydrophobicContact CG1-CG 4.34Å; I76-Y83 HydrophobicContact CG2-CD1 3.87Å; I76-Y83 HydrophobicContact CG2-CD2 4.1Å; I76-Y83 HydrophobicContact CG2-CG 3.49Å; I76-Y83 VanDerWaalsContact CG2-CG 3.49Å; Y83-F85 HydrophobicContact CE1-CB 4.09Å; Y83-F85 HydrophobicContact CE1-CD1 4.05Å; Y83-F85 HydrophobicContact CE1-CG 4.47Å; Y83-G152 CarbonylContact O-C 3.59Å; Y83-G152 VanDerWaalsContact O-CA 3.25Å; Y83-G152 WeakPolarHBondContact O-CA 3.36Å; Y83-V153 PolarHBondContact N-O 2.85Å; Y83-V153 PolarHBondContact O-N 3.25Å; Y83-P184 HydrophobicContact CE1-CG 4.25Å; Y83-F199 WeakPolarHBondContact OH-CD1 3.29Å; Y83-F199 PolarHBondContact OH-O 3.1Å |
| 84 | Y | 98.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 140.4 | -178 | -176.1 | -105 | 0 | 0 | 0 | 111.5 | Y22 E86 G150 C151 F161 T163 F204 Y206 I208 | Y22-Y84 PolarHBondContact OH-N 3.08Å; Y22-Y84 PolarHBondContact OH-O 3.08Å; Y84-E86 HydrophobicContact CE1-CG 3.55Å; Y84-E86 VanDerWaalsContact CE1-OE1 3.28Å; Y84-E86 WeakPolarHBondContact CE1-OE1 3.35Å; Y84-E86 VanDerWaalsContact OH-CG 3.3Å; Y84-E86 WeakPolarHBondContact OH-CG 3.3Å; Y84-E86 PolarHBondContact OH-OE1 3.32Å; Y84-G150 WeakPolarHBondContact OH-CA 3.43Å; Y84-C151 WeakPolarHBondContact CA-O 3.34Å; Y84-C151 WeakPolarHBondContact CD2-O 3.5Å; Y84-F161 AromaticContact CD2-CE2 3.81Å; Y84-F161 HydrophobicContact CD2-CE2 3.81Å; Y84-F161 HydrophobicContact CD2-CZ 4.06Å; Y84-F161 AromaticContact CE2-CE2 3.9Å; Y84-F161 HydrophobicContact CE2-CE2 3.9Å; Y84-T163 HydrophobicContact CE2-CG2 3.83Å; Y84-T163 WeakPolarHBondContact OH-CG2 3.49Å; Y84-T163 PolarHBondContact OH-OG1 3.43Å; Y84-F204 HydrophobicContact CD1-CB 4.43Å; Y84-F204 AromaticContact CD1-CD1 3.72Å; Y84-F204 HydrophobicContact CD1-CD1 3.72Å; Y84-F204 HydrophobicContact CD1-CD2 4.18Å; Y84-F204 AromaticContact CD1-CE1 3.93Å; Y84-F204 HydrophobicContact CD1-CE1 3.93Å; Y84-F204 HydrophobicContact CD1-CE2 4.36Å; Y84-F204 AromaticContact CD1-CG 3.85Å; Y84-F204 HydrophobicContact CD1-CG 3.85Å; Y84-F204 HydrophobicContact CD1-CZ 4.23Å; Y84-F204 HydrophobicContact CE1-CB 3.97Å; Y84-F204 AromaticContact CE1-CD1 3.66Å; Y84-F204 HydrophobicContact CE1-CD1 3.66Å; Y84-F204 HydrophobicContact CE1-CE1 4.27Å; Y84-F204 AromaticContact CE1-CG 3.81Å; Y84-F204 HydrophobicContact CE1-CG 3.81Å; Y84-Y206 HydrophobicContact CE1-CD1 4.38Å; Y84-Y206 HydrophobicContact CE2-CD1 4.07Å; Y84-Y206 AromaticContact CZ-CD1 3.94Å; Y84-Y206 WeakPolarHBondContact OH-CB 3.37Å; Y84-I208 HydrophobicContact CD1-CB 3.89Å; Y84-I208 HydrophobicContact CD1-CD1 4.43Å; Y84-I208 HydrophobicContact CD1-CG1 4.1Å; Y84-I208 HydrophobicContact CD1-CG2 4.11Å; Y84-I208 HydrophobicContact CD2-CD1 4.17Å; Y84-I208 HydrophobicContact CE1-CB 4.42Å; Y84-I208 HydrophobicContact CG-CB 4.17Å; Y84-I208 HydrophobicContact CG-CD1 3.82Å; Y84-I208 HydrophobicContact CG-CG1 3.92Å |
| 85 | F | 98.7 | Very high | 89.7 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 157.2 | 172.6 | 72.9 | -77.4 | 0 | 0 | 0 | 110.4 | Y83 I87 L100 G101 V102 G150 C151 P184 V197 N198 F199 | Y83-F85 HydrophobicContact CE1-CB 4.09Å; Y83-F85 HydrophobicContact CE1-CD1 4.05Å; Y83-F85 HydrophobicContact CE1-CG 4.47Å; F85-I87 HydrophobicContact CE2-CG2 4.42Å; F85-L100 HydrophobicContact CE2-CD1 3.74Å; F85-L100 HydrophobicContact CE2-CG 4.5Å; F85-L100 HydrophobicContact CZ-CD1 4.06Å; F85-L100 HydrophobicContact CZ-CG 4.44Å; F85-G101 WeakPolarHBondContact CZ-O 3.22Å; F85-V102 HydrophobicContact CE1-CG1 4.32Å; F85-G150 CarbonylContact O-C 3.47Å; F85-G150 WeakPolarHBondContact O-CA 3.43Å; F85-C151 HydrophobicContact CD1-CB 4.21Å; F85-C151 WeakPolarHBondContact CD1-O 3.44Å; F85-C151 HydrophobicContact CE1-CB 3.53Å; F85-C151 HydrophobicContact CZ-CB 3.71Å; F85-C151 PolarHBondContact N-O 3.23Å; F85-C151 PolarHBondContact O-N 3.15Å; F85-P184 HydrophobicContact CD1-CB 4.03Å; F85-P184 HydrophobicContact CD1-CG 4.29Å; F85-P184 HydrophobicContact CD2-CB 4.3Å; F85-P184 HydrophobicContact CE1-CB 3.67Å; F85-P184 HydrophobicContact CE1-CG 4.25Å; F85-P184 HydrophobicContact CE2-CB 3.96Å; F85-P184 HydrophobicContact CG-CB 4.34Å; F85-P184 HydrophobicContact CZ-CB 3.64Å; F85-V197 HydrophobicContact CD2-CG1 4.04Å; F85-N198 WeakPolarHBondContact CA-O 3.43Å; F85-F199 HydrophobicContact CB-CD1 3.87Å; F85-F199 HydrophobicContact CB-CE1 4.45Å; F85-F199 HydrophobicContact CD2-CD1 4.46Å; F85-F199 HydrophobicContact CD2-CE1 4.23Å; F85-F199 HydrophobicContact CG-CD1 4.32Å; F85-F199 HydrophobicContact CG-CE1 4.43Å |
| 86 | E | 98.7 | Very high | 88.3 | Confident | 7 Ų | 7 | 37.7 Ų | 37.7 | 3% | 0.033 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 150.1 | 179.4 | -79.2 | 173.9 | 173.2 | 0 | 0 | 111.6 | Y84 I148 I149 V197 N198 F204 A205 Y206 | Y84-E86 HydrophobicContact CE1-CG 3.55Å; Y84-E86 VanDerWaalsContact CE1-OE1 3.28Å; Y84-E86 WeakPolarHBondContact CE1-OE1 3.35Å; Y84-E86 VanDerWaalsContact OH-CG 3.3Å; Y84-E86 WeakPolarHBondContact OH-CG 3.3Å; Y84-E86 PolarHBondContact OH-OE1 3.32Å; E86-I148 HydrophobicContact CB-CG2 4.03Å; E86-I148 HydrophobicContact CG-CG2 4.1Å; E86-I149 WeakPolarHBondContact CA-O 3.21Å; E86-V197 WeakPolarHBondContact O-CA 3.31Å; E86-V197 WeakPolarHBondContact O-CG1 3.45Å; E86-N198 PolarHBondContact N-O 2.75Å; E86-N198 PolarHBondContact O-N 2.98Å; E86-F204 HydrophobicContact CB-CD1 4.2Å; E86-F204 HydrophobicContact CG-CD1 3.94Å; E86-F204 VanDerWaalsContact OE2-CA 3.26Å; E86-F204 WeakPolarHBondContact OE2-CA 3.39Å; E86-A205 PolarHBondContact OE1-N 3.42Å; E86-A205 PolarHBondContact OE2-N 3.26Å; E86-Y206 PolarHBondContact OE1-N 3.01Å |
| 87 | I | 97.8 | Very high | 87.8 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 145.8 | 167.4 | 73.8 | 175.8 | 0 | 0 | 0 | 110 | F85 L100 I148 I149 I186 V195 S196 V197 | F85-I87 HydrophobicContact CE2-CG2 4.42Å; I87-L100 HydrophobicContact CB-CD1 4.36Å; I87-L100 HydrophobicContact CD1-CB 3.88Å; I87-L100 HydrophobicContact CD1-CD1 3.97Å; I87-L100 HydrophobicContact CD1-CG 4.45Å; I87-L100 HydrophobicContact CG1-CD1 3.93Å; I87-L100 HydrophobicContact CG2-CD1 3.66Å; I87-I148 CarbonylContact O-C 3.59Å; I87-I148 VanDerWaalsContact O-CA 3.27Å; I87-I148 WeakPolarHBondContact O-CA 3.15Å; I87-I149 HydrophobicContact CD1-CB 4.48Å; I87-I149 HydrophobicContact CG1-CB 4.01Å; I87-I149 PolarHBondContact N-O 3.45Å; I87-I149 PolarHBondContact O-N 3.03Å; I87-I186 HydrophobicContact CG2-CD1 3.55Å; I87-I186 HydrophobicContact CG2-CG1 4.1Å; I87-V195 HydrophobicContact CB-CG1 3.67Å; I87-V195 HydrophobicContact CD1-CG1 3.96Å; I87-V195 HydrophobicContact CG1-CG1 4.19Å; I87-V195 HydrophobicContact CG2-CG1 4.22Å; I87-S196 CarbonylContact C-O 3.58Å; I87-S196 VanDerWaalsContact CA-O 3.3Å; I87-S196 WeakPolarHBondContact CA-O 3.32Å; I87-V197 HydrophobicContact CG2-CG1 4.32Å; I87-V197 HydrophobicContact CG2-CG2 4.17Å |
| 88 | T | 97.3 | Very high | 87.6 | Confident | 51 Ų | 51 | 40.1 Ų | 40.1 | 31% | 0.313 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 127.5 | 166.1 | -53.2 | 0 | 0 | 0 | 0 | 108.7 | N90 I148 V195 S196 | T88-N90 WeakPolarHBondContact CG2-OD1 3.39Å; T88-N90 PolarHBondContact O-N 3.29Å; T88-N90 PolarHBondContact O-OD1 2.78Å; T88-I148 HydrophobicContact CG2-CG1 4.34Å; T88-V195 WeakPolarHBondContact O-CA 3.31Å; T88-S196 PolarHBondContact N-O 3.42Å; T88-S196 PolarHBondContact O-N 3.04Å |
| 89 | V | 94.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 93.2 | 176.5 | -176.8 | 0 | 0 | 0 | 0 | 108.7 | K92 L98 F143 G144 E145 S146 D147 | V89-K92 HydrophobicContact CG1-CB 4.02Å; V89-L98 HydrophobicContact CG1-CD1 3.79Å; V89-L98 HydrophobicContact CG2-CD1 4.17Å; V89-F143 HydrophobicContact CG2-CD2 4.28Å; V89-G144 VanDerWaalsContact CB-O 3.27Å; V89-G144 WeakPolarHBondContact CB-O 3.4Å; V89-E145 CarbonylContact O-C 3.48Å; V89-E145 WeakPolarHBondContact O-CA 3.11Å; V89-S146 PolarHBondContact O-N 3.29Å; V89-D147 PolarHBondContact N-O 3.35Å; V89-D147 VanDerWaalsContact N-O 3.09Å |
| 90 | N | 92.6 | Very high | 87.8 | Confident | 62 Ų | 62 | 35.3 Ų | 35.3 | 33% | 0.332 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | -36.7 | -171.7 | -53.8 | -26.2 | 0 | 0 | 0 | 112.9 | T88 H194 S196 | T88-N90 WeakPolarHBondContact CG2-OD1 3.39Å; T88-N90 PolarHBondContact O-N 3.29Å; T88-N90 PolarHBondContact O-OD1 2.78Å; N90-H194 HydrophobicContact CB-CB 4.04Å; N90-H194 PolarHBondContact N-O 3.33Å; N90-S196 PolarHBondContact ND2-N 3.01Å; N90-S196 PolarHBondContact ND2-OG 3.34Å |
| 91 | V | 85.1 | Confident | 87.9 | Confident | 59 Ų | 59 | 35 Ų | 35 | 36% | 0.358 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 132.6 | 178.8 | -177.1 | 0 | 0 | 0 | 0 | 108.5 | E145 C193 H194 | V91-E145 WeakPolarHBondContact CA-OE2 3.26Å; V91-C193 WeakPolarHBondContact O-CA 3.16Å; V91-H194 HydrophobicContact CB-CB 3.91Å; V91-H194 HydrophobicContact CG2-CB 4.04Å; V91-H194 PolarHBondContact N-O 3.22Å; V91-H194 PolarHBondContact O-N 2.82Å |
| 92 | K | 71.1 | Confident | 88 | Confident | 45 Ų | 45 | 32.3 Ų | 32.3 | 20% | 0.196 | 16% | 0.163 | C | C | . | . | trans | -131.5 | 120.4 | 177.2 | -172.4 | 178.7 | 176.7 | -169.4 | 0 | 112.5 | V89 G96 N125 F143 E145 | V89-K92 HydrophobicContact CG1-CB 4.02Å; K92-G96 VanDerWaalsContact CE-O 3.25Å; K92-G96 WeakPolarHBondContact CE-O 3.09Å; K92-N125 WeakPolarHBondContact CE-OD1 3.11Å; K92-N125 PolarHBondContact NZ-OD1 3.46Å; K92-F143 PolarHBondContact NZ-O 2.96Å; K92-E145 HydrophobicContact CB-CB 4.2Å; K92-E145 PolarHBondContact N-OE2 3.34Å | ||
| 93 | S | 67.3 | Low | 87.8 | Confident | 24 Ų | 24 | 32.4 Ų | 32.4 | 17% | 0.168 | 16% | 0.164 | C | C | . | . | trans | -58.9 | 142.4 | 168.1 | 177.4 | 0 | 0 | 0 | 0 | 111.3 | S95 G96 C190 | S93-S95 PolarHBondContact O-N 3.33Å; S93-S95 PolarHBondContact OG-OG 3.01Å; S93-G96 PolarHBondContact O-N 2.98Å; S93-C190 VanDerWaalsContact CB-SG 3.55Å | ||
| 94 | R | 61.1 | Low | 87.5 | Confident | 262 Ų | 262 | 32.6 Ų | 32.6 | 99% | 0.989 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -22.6 | 177.7 | -72.1 | -177.1 | 175.7 | 175.3 | -1.1 | 114.2 | ||
| 95 | S | 62.8 | Low | 87 | Confident | 87 Ų | 87 | 35.6 Ų | 35.6 | 61% | 0.608 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | 2.9 | 175.5 | 68.9 | 0 | 0 | 0 | 0 | 113.9 | S93 | S93-S95 PolarHBondContact O-N 3.33Å; S93-S95 PolarHBondContact OG-OG 3.01Å |
| 96 | G | 67.9 | Low | 86.2 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -75 | 127.5 | -163.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | K92 S93 N125 C190 | K92-G96 VanDerWaalsContact CE-O 3.25Å; K92-G96 WeakPolarHBondContact CE-O 3.09Å; S93-G96 PolarHBondContact O-N 2.98Å; G96-N125 PolarHBondContact O-ND2 3.15Å; G96-N125 PolarHBondContact O-OD1 2.9Å; G96-N125 VanDerWaalsContact O-OD1 3.11Å; G96-C190 WeakPolarHBondContact CA-SG 3.42Å | ||
| 97 | L | 85.8 | Confident | 85.4 | Confident | 69 Ų | 69 | 46.6 Ų | 46.6 | 36% | 0.361 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 130 | 164.6 | -71.6 | 165 | 0 | 0 | 0 | 109.7 | W112 N125 A189 | L97-W112 HydrophobicContact CB-CH2 3.47Å; L97-W112 VanDerWaalsContact CB-CH2 3.47Å; L97-W112 HydrophobicContact CB-CZ2 3.73Å; L97-W112 HydrophobicContact CB-CZ3 4.49Å; L97-W112 HydrophobicContact CD1-CZ2 4.03Å; L97-W112 HydrophobicContact CG-CZ2 4.49Å; L97-N125 HydrophobicContact CD2-CB 3.95Å; L97-N125 WeakPolarHBondContact CD2-ND2 3.27Å; L97-A189 HydrophobicContact CB-CB 4.3Å; L97-A189 PolarHBondContact N-O 3.1Å; L97-A189 CarbonylContact O-C 3.54Å; L97-A189 PolarHBondContact O-N 2.94Å |
| 98 | L | 92.1 | Very high | 84.6 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 151.5 | 169.9 | -64.7 | 174.5 | 0 | 0 | 0 | 108.9 | V89 S124 F143 A187 F188 C190 C193 V195 | V89-L98 HydrophobicContact CG1-CD1 3.79Å; V89-L98 HydrophobicContact CG2-CD1 4.17Å; L98-S124 PolarHBondContact N-OG 3.15Å; L98-S124 VanDerWaalsContact O-CB 3.27Å; L98-S124 WeakPolarHBondContact O-CB 3.41Å; L98-S124 PolarHBondContact O-N 3.31Å; L98-S124 PolarHBondContact O-OG 3.24Å; L98-F143 HydrophobicContact CB-CE2 4.39Å; L98-A187 WeakPolarHBondContact CA-O 3.4Å; L98-F188 HydrophobicContact CD2-CB 4.5Å; L98-F188 HydrophobicContact CD2-CD1 3.52Å; L98-F188 HydrophobicContact CD2-CE1 3.95Å; L98-F188 HydrophobicContact CD2-CG 4.08Å; L98-C190 HydrophobicContact CD2-CB 4.4Å; L98-C193 HydrophobicContact CD2-CB 4Å; L98-V195 HydrophobicContact CD1-CG2 3.95Å; L98-V195 HydrophobicContact CD2-CG2 4.34Å |
| 99 | A | 94.3 | Very high | 83.9 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 150.5 | 164 | 0 | 0 | 0 | 0 | 0 | 110.4 | W112 Y122 I186 A187 | A99-W112 HydrophobicContact CB-CE3 3.79Å; A99-W112 HydrophobicContact CB-CZ3 4.08Å; A99-Y122 VanDerWaalsContact CA-O 3.24Å; A99-Y122 WeakPolarHBondContact CA-O 3.48Å; A99-Y122 WeakPolarHBondContact CB-O 3.34Å; A99-I186 WeakPolarHBondContact O-CA 3.44Å; A99-A187 HydrophobicContact CB-CB 4.45Å; A99-A187 PolarHBondContact N-O 3.4Å; A99-A187 VanDerWaalsContact N-O 3.07Å; A99-A187 PolarHBondContact O-N 3.05Å |
| 100 | L | 95.9 | Very high | 83.4 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 157.1 | 166 | 115.2 | 166 | 0 | 0 | 0 | 110.5 | F85 I87 G121 Y122 I149 C151 F162 C185 I186 | F85-L100 HydrophobicContact CE2-CD1 3.74Å; F85-L100 HydrophobicContact CE2-CG 4.5Å; F85-L100 HydrophobicContact CZ-CD1 4.06Å; F85-L100 HydrophobicContact CZ-CG 4.44Å; I87-L100 HydrophobicContact CB-CD1 4.36Å; I87-L100 HydrophobicContact CD1-CB 3.88Å; I87-L100 HydrophobicContact CD1-CD1 3.97Å; I87-L100 HydrophobicContact CD1-CG 4.45Å; I87-L100 HydrophobicContact CG1-CD1 3.93Å; I87-L100 HydrophobicContact CG2-CD1 3.66Å; L100-G121 CarbonylContact O-C 3.55Å; L100-G121 VanDerWaalsContact O-CA 3.3Å; L100-G121 WeakPolarHBondContact O-CA 3.24Å; L100-Y122 HydrophobicContact CD2-CD1 4.39Å; L100-Y122 PolarHBondContact N-O 3Å; L100-Y122 PolarHBondContact O-N 3.32Å; L100-I149 HydrophobicContact CD2-CB 4.45Å; L100-I149 HydrophobicContact CD2-CG2 3.5Å; L100-C151 HydrophobicContact CD1-CB 4.03Å; L100-C151 HydrophobicContact CD2-CB 4.23Å; L100-C151 HydrophobicContact CG-CB 4.05Å; L100-F162 HydrophobicContact CD2-CD1 3.7Å; L100-F162 HydrophobicContact CD2-CE1 3.74Å; L100-C185 WeakPolarHBondContact CA-O 3.33Å; L100-I186 HydrophobicContact CB-CG1 4.42Å |
| 101 | G | 96 | Very high | 83.2 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.4 | -135.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F85 Y120 C185 | F85-G101 WeakPolarHBondContact CZ-O 3.22Å; G101-Y120 WeakPolarHBondContact CA-O 3.49Å; G101-C185 PolarHBondContact N-O 3.34Å; G101-C185 PolarHBondContact O-N 3.42Å |
| 102 | V | 95.7 | Very high | 83.4 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 150.8 | -179.1 | -68.7 | 0 | 0 | 0 | 0 | 111.9 | I76 F85 S119 Y120 V153 V160 V182 Y183 | I76-V102 HydrophobicContact CD1-CG1 4.37Å; F85-V102 HydrophobicContact CE1-CG1 4.32Å; V102-S119 CarbonylContact O-C 3.14Å; V102-S119 VanDerWaalsContact O-CA 3.24Å; V102-S119 WeakPolarHBondContact O-CA 3.41Å; V102-Y120 HydrophobicContact CG2-CD2 4.04Å; V102-Y120 HydrophobicContact CG2-CG 4.48Å; V102-Y120 PolarHBondContact N-O 3.39Å; V102-Y120 PolarHBondContact O-N 2.97Å; V102-V153 HydrophobicContact CG1-CG2 3.76Å; V102-V153 HydrophobicContact CG2-CG2 4.41Å; V102-V160 HydrophobicContact CG2-CG1 4.5Å; V102-V160 HydrophobicContact CG2-CG2 4.02Å; V102-V182 HydrophobicContact CB-CG1 3.62Å; V102-V182 HydrophobicContact CG1-CG1 3.87Å; V102-V182 HydrophobicContact CG2-CG1 4.07Å; V102-Y183 VanDerWaalsContact CA-O 3.25Å; V102-Y183 WeakPolarHBondContact CA-O 3.43Å; V102-Y183 WeakPolarHBondContact CB-O 3.45Å |
| 103 | C | 93.3 | Very high | 84.5 | Confident | 5 Ų | 5 | 49.5 Ų | 49.5 | 3% | 0.034 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 164 | 179.9 | 65.2 | 0 | 0 | 0 | 0 | 111.5 | K71 T118 Y183 C185 | K71-C103 WeakPolarHBondContact CE-SG 3.4Å; C103-T118 WeakPolarHBondContact CA-O 3.08Å; C103-Y183 PolarHBondContact N-O 3.38Å; C103-Y183 PolarHBondContact O-N 2.79Å; C103-C185 VanDerWaalsContact SG-SG 3.63Å |
| 104 | S | 91.7 | Very high | 85.6 | Confident | 6 Ų | 6 | 48.3 Ų | 48.3 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 172.3 | 174.1 | 74.9 | 0 | 0 | 0 | 0 | 112.6 | K71 R106 S107 T118 P181 | K71-S104 PolarHBondContact NZ-O 3.46Å; S104-R106 PolarHBondContact O-N 3.45Å; S104-R106 PolarHBondContact OG-N 2.94Å; S104-S107 PolarHBondContact N-OG 3.48Å; S104-S107 PolarHBondContact O-N 2.75Å; S104-S107 PolarHBondContact OG-N 2.77Å; S104-S107 PolarHBondContact OG-OG 2.84Å; S104-T118 WeakPolarHBondContact CB-OG1 3.11Å; S104-T118 PolarHBondContact N-O 3.44Å; S104-T118 PolarHBondContact OG-OG1 3.21Å; S104-P181 WeakPolarHBondContact CA-O 3.42Å |
| 105 | S | 86.7 | Confident | 87.1 | Confident | 62 Ų | 62 | 38 Ų | 38 | 43% | 0.434 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -41.9 | 166.6 | 53 | 0 | 0 | 0 | 0 | 112.2 | K71 S107 | K71-S105 PolarHBondContact NZ-O 3.07Å; K71-S105 VanDerWaalsContact NZ-O 3.13Å; S105-S107 VanDerWaalsContact C-N 3.26Å; S105-S107 PolarHBondContact O-N 2.71Å |
| 106 | R | 81.6 | Confident | 88.2 | Confident | 230 Ų | 230 | 36 Ų | 36 | 87% | 0.868 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -17.9 | -176.3 | -57.6 | -178.4 | 75.1 | 126.8 | -1.4 | 113.6 | S104 | S104-R106 PolarHBondContact O-N 3.45Å; S104-R106 PolarHBondContact OG-N 2.94Å |
| 107 | S | 83.5 | Confident | 89 | Confident | 10 Ų | 10 | 42 Ų | 42 | 7% | 0.07 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -65.3 | 138.6 | -173.9 | -63.1 | 0 | 0 | 0 | 0 | 114.7 | K71 S104 S105 E116 T118 | K71-S107 PolarHBondContact NZ-O 2.98Å; S104-S107 PolarHBondContact N-OG 3.48Å; S104-S107 PolarHBondContact O-N 2.75Å; S104-S107 PolarHBondContact OG-N 2.77Å; S104-S107 PolarHBondContact OG-OG 2.84Å; S105-S107 VanDerWaalsContact C-N 3.26Å; S105-S107 PolarHBondContact O-N 2.71Å; S107-E116 VanDerWaalsContact CA-OE1 3.28Å; S107-E116 WeakPolarHBondContact CA-OE1 3.48Å; S107-E116 WeakPolarHBondContact CA-OE2 3.46Å; S107-E116 WeakPolarHBondContact CB-OE2 3.34Å; S107-E116 PolarHBondContact OG-OE2 3.23Å; S107-T118 PolarHBondContact OG-OG1 3.23Å |
| 108 | S | 81.1 | Confident | 88.9 | Confident | 43 Ų | 43 | 40.5 Ų | 40.5 | 30% | 0.301 | 20% | 0.197 | S | C | . | . | trans | -50.4 | 140.5 | 174.4 | -177.2 | 0 | 0 | 0 | 0 | 112.4 | N110 E116 | S108-N110 VanDerWaalsContact C-N 3.26Å; S108-N110 PolarHBondContact OG-N 3.37Å; S108-N110 VanDerWaalsContact OG-N 3.15Å; S108-E116 VanDerWaalsContact CB-OE1 3.3Å; S108-E116 WeakPolarHBondContact CB-OE1 3.45Å; S108-E116 PolarHBondContact N-OE1 2.79Å | ||
| 109 | T | 82.3 | Confident | 88.9 | Confident | 20 Ų | 20 | 40.6 Ų | 40.6 | 12% | 0.123 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -83.5 | -4.8 | 172.5 | 52 | 0 | 0 | 0 | 0 | 112.8 | N39 V69 | N39-T109 WeakPolarHBondContact ND2-CG2 3.09Å; V69-T109 PolarHBondContact N-O 3.02Å |
| 110 | N | 82.8 | Confident | 88.9 | Confident | 75 Ų | 75 | 40.7 Ų | 40.7 | 40% | 0.401 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -125.8 | 7.7 | -165.7 | -65 | 33.4 | 0 | 0 | 0 | 113.1 | P67 S108 | P67-N110 WeakPolarHBondContact CG-O 3.34Å; P67-N110 WeakPolarHBondContact O-CA 3.46Å; S108-N110 VanDerWaalsContact C-N 3.26Å; S108-N110 PolarHBondContact OG-N 3.37Å; S108-N110 VanDerWaalsContact OG-N 3.15Å |
| 111 | E | 88.3 | Confident | 88.9 | Confident | 90 Ų | 90 | 40.7 Ų | 40.7 | 42% | 0.421 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -113.7 | 161.4 | 171.7 | -69.2 | -170.1 | -166 | 0 | 0 | 110.4 | V69 M115 | V69-E111 WeakPolarHBondContact CG2-O 3.22Å; E111-M115 HydrophobicContact CB-CB 4.32Å |
| 112 | W | 91 | Very high | 88.9 | Confident | 46 Ų | 46 | 40.7 Ų | 40.7 | 17% | 0.174 | 20% | 0.198 | C | C | . | . | trans | -73 | 143.8 | 175.3 | -67.7 | 104.8 | 0 | 0 | 0 | 111.5 | P67 L97 A99 G114 M115 H123 A187 A189 | P67-W112 HydrophobicContact CB-CD2 3.65Å; P67-W112 HydrophobicContact CB-CE3 3.9Å; P67-W112 HydrophobicContact CB-CG 4.16Å; P67-W112 HydrophobicContact CB-CH2 4.09Å; P67-W112 HydrophobicContact CB-CZ2 3.88Å; P67-W112 HydrophobicContact CB-CZ3 4.11Å; P67-W112 HydrophobicContact CG-CD2 3.98Å; P67-W112 HydrophobicContact CG-CG 4Å; P67-W112 HydrophobicContact CG-CZ2 4.46Å; L97-W112 HydrophobicContact CB-CH2 3.47Å; L97-W112 VanDerWaalsContact CB-CH2 3.47Å; L97-W112 HydrophobicContact CB-CZ2 3.73Å; L97-W112 HydrophobicContact CB-CZ3 4.49Å; L97-W112 HydrophobicContact CD1-CZ2 4.03Å; L97-W112 HydrophobicContact CG-CZ2 4.49Å; A99-W112 HydrophobicContact CB-CE3 3.79Å; A99-W112 HydrophobicContact CB-CZ3 4.08Å; W112-G114 PolarHBondContact O-N 3.18Å; W112-M115 HydrophobicContact CB-CG 3.77Å; W112-M115 WeakPolarHBondContact O-CB 3.47Å; W112-M115 WeakPolarHBondContact O-CG 3.38Å; W112-M115 PolarHBondContact O-N 2.72Å; W112-H123 VanDerWaalsContact CB-CE1 3.43Å; W112-H123 WeakPolarHBondContact CB-CE1 3.27Å; W112-H123 AromaticContact CG-CE1 3.68Å; W112-A187 HydrophobicContact CE3-CB 3.61Å; W112-A187 HydrophobicContact CZ3-CB 3.72Å; W112-A189 HydrophobicContact CH2-CB 3.51Å; W112-A189 HydrophobicContact CZ2-CB 3.52Å | ||
| 113 | P | 92.6 | Very high | 88.8 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | 130.1 | 164.6 | -27 | 35.7 | 0 | 0 | 0 | 110.3 | Y120 G121 H123 A187 | P113-Y120 WeakPolarHBondContact CB-O 3.27Å; P113-G121 WeakPolarHBondContact O-CA 3.26Å; P113-H123 PolarHBondContact O-NE2 3.18Å; P113-A187 HydrophobicContact CG-CB 3.86Å |
| 114 | G | 91.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.1 | -10.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | W112 S119 Y130 H131 N132 S133 | W112-G114 PolarHBondContact O-N 3.18Å; G114-S119 VanDerWaalsContact CA-OG 3.28Å; G114-S119 WeakPolarHBondContact CA-OG 3.5Å; G114-S119 PolarHBondContact N-OG 3.35Å; G114-Y130 WeakPolarHBondContact CA-O 3.2Å; G114-H131 CarbonylContact O-C 3.49Å; G114-H131 VanDerWaalsContact O-CA 3.27Å; G114-H131 WeakPolarHBondContact O-CA 3.36Å; G114-H131 PolarHBondContact O-N 2.64Å; G114-N132 PolarHBondContact O-N 3.18Å; G114-S133 PolarHBondContact O-N 2.94Å |
| 115 | M | 91.3 | Very high | 88.5 | Confident | 44 Ų | 44 | 44.1 Ų | 44.1 | 22% | 0.217 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -75.4 | -37 | 175.5 | -60.4 | -64.1 | 94.9 | 0 | 0 | 112.1 | E111 W112 S119 Y130 N132 S133 | E111-M115 HydrophobicContact CB-CB 4.32Å; W112-M115 HydrophobicContact CB-CG 3.77Å; W112-M115 WeakPolarHBondContact O-CB 3.47Å; W112-M115 WeakPolarHBondContact O-CG 3.38Å; W112-M115 PolarHBondContact O-N 2.72Å; M115-S119 PolarHBondContact N-OG 3.16Å; M115-Y130 HydrophobicContact CE-CD1 3.73Å; M115-Y130 HydrophobicContact CE-CD2 3.96Å; M115-Y130 HydrophobicContact CE-CG 3.46Å; M115-Y130 VanDerWaalsContact CE-CG 3.46Å; M115-N132 CarbonylContact O-C 3.42Å; M115-S133 WeakPolarHBondContact O-CB 3.47Å; M115-S133 PolarHBondContact O-N 3.47Å; M115-S133 PolarHBondContact O-OG 3.24Å |
| 116 | E | 86.9 | Confident | 88.5 | Confident | 45 Ų | 45 | 44.4 Ų | 44.4 | 21% | 0.21 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -87.1 | 153.8 | 178.6 | -63.7 | -174.9 | -179.3 | 0 | 0 | 113.6 | S107 S108 T118 S119 N132 | S107-E116 VanDerWaalsContact CA-OE1 3.28Å; S107-E116 WeakPolarHBondContact CA-OE1 3.48Å; S107-E116 WeakPolarHBondContact CA-OE2 3.46Å; S107-E116 WeakPolarHBondContact CB-OE2 3.34Å; S107-E116 PolarHBondContact OG-OE2 3.23Å; S108-E116 VanDerWaalsContact CB-OE1 3.3Å; S108-E116 WeakPolarHBondContact CB-OE1 3.45Å; S108-E116 PolarHBondContact N-OE1 2.79Å; E116-T118 PolarHBondContact O-N 2.96Å; E116-T118 VanDerWaalsContact O-N 3.12Å; E116-T118 PolarHBondContact OE2-OG1 2.89Å; E116-S119 PolarHBondContact N-OG 2.61Å; E116-S119 VanDerWaalsContact N-OG 3.1Å; E116-S119 PolarHBondContact O-N 3.09Å; E116-S119 PolarHBondContact O-OG 3.32Å; E116-N132 PolarHBondContact O-N 3.37Å |
| 117 | F | 83.9 | Confident | 89 | Confident | 128 Ų | 128 | 33.5 Ų | 33.5 | 56% | 0.561 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -30.8 | 170 | -174.5 | -93.4 | 0 | 0 | 0 | 114.1 | H131 N132 | F117-H131 PolarHBondContact O-CE1 2.93Å; F117-N132 WeakPolarHBondContact CA-OD1 3.28Å; F117-N132 WeakPolarHBondContact CB-OD1 3.38Å; F117-N132 HydrophobicContact CD2-CB 4.36Å; F117-N132 PolarHBondContact N-OD1 3.24Å |
| 118 | T | 83.7 | Confident | 89.5 | Confident | 37 Ų | 37 | 34.2 Ų | 34.2 | 23% | 0.227 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 21.2 | -179.4 | 69.3 | 0 | 0 | 0 | 0 | 113.9 | C103 S104 S107 E116 P179 | C103-T118 WeakPolarHBondContact CA-O 3.08Å; S104-T118 WeakPolarHBondContact CB-OG1 3.11Å; S104-T118 PolarHBondContact N-O 3.44Å; S104-T118 PolarHBondContact OG-OG1 3.21Å; S107-T118 PolarHBondContact OG-OG1 3.23Å; E116-T118 PolarHBondContact O-N 2.96Å; E116-T118 VanDerWaalsContact O-N 3.12Å; E116-T118 PolarHBondContact OE2-OG1 2.89Å; T118-P179 HydrophobicContact CG2-CB 4.07Å; T118-P179 WeakPolarHBondContact O-CG 3.4Å |
| 119 | S | 92.5 | Very high | 90.2 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 155.4 | -175.5 | 74 | 0 | 0 | 0 | 0 | 113.9 | V102 G114 M115 E116 H131 | V102-S119 CarbonylContact O-C 3.14Å; V102-S119 VanDerWaalsContact O-CA 3.24Å; V102-S119 WeakPolarHBondContact O-CA 3.41Å; G114-S119 VanDerWaalsContact CA-OG 3.28Å; G114-S119 WeakPolarHBondContact CA-OG 3.5Å; G114-S119 PolarHBondContact N-OG 3.35Å; M115-S119 PolarHBondContact N-OG 3.16Å; E116-S119 PolarHBondContact N-OG 2.61Å; E116-S119 VanDerWaalsContact N-OG 3.1Å; E116-S119 PolarHBondContact O-N 3.09Å; E116-S119 PolarHBondContact O-OG 3.32Å; S119-H131 PolarHBondContact O-ND1 2.9Å |
| 120 | Y | 94.8 | Very high | 90.7 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 143.4 | 172.8 | -65.5 | -96.8 | 0 | 0 | 0 | 108.1 | G101 V102 P113 Y130 H131 V160 I172 A174 L178 | G101-Y120 WeakPolarHBondContact CA-O 3.49Å; V102-Y120 HydrophobicContact CG2-CD2 4.04Å; V102-Y120 HydrophobicContact CG2-CG 4.48Å; V102-Y120 PolarHBondContact N-O 3.39Å; V102-Y120 PolarHBondContact O-N 2.97Å; P113-Y120 WeakPolarHBondContact CB-O 3.27Å; Y120-Y130 WeakPolarHBondContact CA-O 3.31Å; Y120-H131 HydrophobicContact CD1-CB 3.76Å; Y120-H131 AromaticContact CD1-CG 3.87Å; Y120-H131 AromaticContact CD1-ND1 3.8Å; Y120-H131 HydrophobicContact CE1-CB 3.78Å; Y120-H131 AromaticContact CE1-CE1 3.95Å; Y120-H131 AromaticContact CE1-CG 3.44Å; Y120-H131 VanDerWaalsContact CE1-CG 3.44Å; Y120-H131 AromaticContact CE1-ND1 3.4Å; Y120-H131 WeakPolarHBondContact CE1-ND1 3.45Å; Y120-H131 AromaticContact CE2-CE1 3.88Å; Y120-H131 AromaticContact CE2-ND1 3.65Å; Y120-H131 AromaticContact CZ-CE1 3.46Å; Y120-H131 VanDerWaalsContact CZ-CE1 3.46Å; Y120-H131 AromaticContact CZ-CG 3.79Å; Y120-H131 AromaticContact CZ-ND1 3.3Å; Y120-H131 VanDerWaalsContact CZ-ND1 3.3Å; Y120-H131 PolarHBondContact OH-CE1 2.96Å; Y120-H131 VanDerWaalsContact OH-CE1 3.3Å; Y120-V160 HydrophobicContact CD1-CB 4.27Å; Y120-V160 HydrophobicContact CD1-CG2 4.19Å; Y120-V160 HydrophobicContact CD2-CG2 3.81Å; Y120-V160 HydrophobicContact CE1-CG2 4.48Å; Y120-V160 HydrophobicContact CE2-CG2 4.13Å; Y120-V160 HydrophobicContact CG-CB 4.26Å; Y120-V160 HydrophobicContact CG-CG1 4.48Å; Y120-V160 HydrophobicContact CG-CG2 3.86Å; Y120-I172 HydrophobicContact CD1-CG2 3.97Å; Y120-I172 HydrophobicContact CE1-CG2 3.7Å; Y120-A174 VanDerWaalsContact OH-CA 3.25Å; Y120-A174 WeakPolarHBondContact OH-CA 3.31Å; Y120-A174 WeakPolarHBondContact OH-CB 3.39Å; Y120-L178 HydrophobicContact CE2-CD2 4.18Å |
| 121 | G | 95.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 141.6 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | L100 P113 I129 Y130 | L100-G121 CarbonylContact O-C 3.55Å; L100-G121 VanDerWaalsContact O-CA 3.3Å; L100-G121 WeakPolarHBondContact O-CA 3.24Å; P113-G121 WeakPolarHBondContact O-CA 3.26Å; G121-I129 CarbonylContact O-C 3.58Å; G121-I129 VanDerWaalsContact O-CA 3.32Å; G121-I129 WeakPolarHBondContact O-CA 3.25Å; G121-Y130 PolarHBondContact N-O 3.1Å; G121-Y130 PolarHBondContact O-N 3.35Å |
| 122 | Y | 96.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 120.3 | 177.5 | 175.2 | -157 | 0 | 0 | 0 | 108.9 | A99 L100 G127 I129 A140 P141 F143 I149 F162 | A99-Y122 VanDerWaalsContact CA-O 3.24Å; A99-Y122 WeakPolarHBondContact CA-O 3.48Å; A99-Y122 WeakPolarHBondContact CB-O 3.34Å; L100-Y122 HydrophobicContact CD2-CD1 4.39Å; L100-Y122 PolarHBondContact N-O 3Å; L100-Y122 PolarHBondContact O-N 3.32Å; Y122-G127 WeakPolarHBondContact CE2-O 3.41Å; Y122-I129 HydrophobicContact CD2-CD1 4.44Å; Y122-I129 HydrophobicContact CD2-CG1 3.77Å; Y122-I129 HydrophobicContact CG-CG1 4.14Å; Y122-A140 HydrophobicContact CD2-CB 4.49Å; Y122-A140 HydrophobicContact CE2-CB 3.84Å; Y122-P141 WeakPolarHBondContact CE2-O 3.5Å; Y122-P141 WeakPolarHBondContact OH-CD 3.3Å; Y122-P141 PolarHBondContact OH-O 3.22Å; Y122-F143 HydrophobicContact CD1-CD1 4.4Å; Y122-F143 AromaticContact CD1-CE1 3.93Å; Y122-F143 HydrophobicContact CD1-CE1 3.93Å; Y122-F143 HydrophobicContact CD2-CD1 4.43Å; Y122-F143 AromaticContact CD2-CE1 3.94Å; Y122-F143 HydrophobicContact CD2-CE1 3.94Å; Y122-F143 AromaticContact CE1-CD1 3.97Å; Y122-F143 HydrophobicContact CE1-CD1 3.97Å; Y122-F143 AromaticContact CE1-CE1 3.97Å; Y122-F143 HydrophobicContact CE1-CE1 3.97Å; Y122-F143 AromaticContact CE2-CD1 3.96Å; Y122-F143 HydrophobicContact CE2-CD1 3.96Å; Y122-F143 AromaticContact CE2-CE1 3.94Å; Y122-F143 HydrophobicContact CE2-CE1 3.94Å; Y122-F143 AromaticContact CG-CE1 3.91Å; Y122-F143 HydrophobicContact CG-CE1 3.91Å; Y122-F143 AromaticContact CZ-CD1 3.71Å; Y122-F143 AromaticContact CZ-CE1 3.96Å; Y122-I149 HydrophobicContact CD1-CG2 3.62Å; Y122-I149 HydrophobicContact CE1-CD1 4.35Å; Y122-I149 HydrophobicContact CE1-CG2 3.64Å; Y122-F162 HydrophobicContact CD1-CB 3.77Å; Y122-F162 AromaticContact CD1-CD1 3.83Å; Y122-F162 HydrophobicContact CD1-CD1 3.83Å; Y122-F162 AromaticContact CD1-CG 3.82Å; Y122-F162 HydrophobicContact CD1-CG 3.82Å; Y122-F162 HydrophobicContact CE1-CB 4.23Å; Y122-F162 HydrophobicContact CG-CD1 4.22Å; Y122-F162 HydrophobicContact CG-CG 4.18Å |
| 123 | H | 94.4 | Very high | 91.4 | Very high | 15 Ų | 15 | 31.1 Ų | 31.1 | 7% | 0.069 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 134.8 | -165.3 | -73.5 | -142.6 | 0 | 0 | 0 | 112.3 | W112 P113 N125 G127 T128 Y130 | W112-H123 VanDerWaalsContact CB-CE1 3.43Å; W112-H123 WeakPolarHBondContact CB-CE1 3.27Å; W112-H123 AromaticContact CG-CE1 3.68Å; P113-H123 PolarHBondContact O-NE2 3.18Å; H123-N125 PolarHBondContact O-N 2.75Å; H123-G127 VanDerWaalsContact O-CA 3.29Å; H123-G127 WeakPolarHBondContact O-CA 3.24Å; H123-G127 PolarHBondContact O-N 3.48Å; H123-T128 PolarHBondContact N-O 3.46Å; H123-Y130 HydrophobicContact CB-CE2 4.42Å; H123-Y130 AromaticContact CD2-CD2 3.64Å; H123-Y130 AromaticContact CE1-CD2 3.65Å; H123-Y130 AromaticContact CE1-CE2 3.97Å; H123-Y130 AromaticContact CG-CD2 3.86Å; H123-Y130 AromaticContact CG-CE2 3.93Å; H123-Y130 AromaticContact ND1-CD2 3.89Å; H123-Y130 AromaticContact ND1-CE2 3.81Å; H123-Y130 AromaticContact NE2-CD2 3.52Å |
| 124 | S | 92.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -39.1 | -161.6 | 66.8 | 0 | 0 | 0 | 0 | 116 | L98 S142 F143 | L98-S124 PolarHBondContact N-OG 3.15Å; L98-S124 VanDerWaalsContact O-CB 3.27Å; L98-S124 WeakPolarHBondContact O-CB 3.41Å; L98-S124 PolarHBondContact O-N 3.31Å; L98-S124 PolarHBondContact O-OG 3.24Å; S124-S142 CarbonylContact O-C 3.28Å; S124-S142 WeakPolarHBondContact O-CA 3.4Å; S124-S142 VanDerWaalsContact O-CB 3.29Å; S124-S142 WeakPolarHBondContact O-CB 3.38Å; S124-F143 VanDerWaalsContact CB-CE2 3.46Å; S124-F143 PolarHBondContact O-N 3.31Å |
| 125 | N | 84.5 | Confident | 91.4 | Very high | 70 Ų | 70 | 43.2 Ų | 43.2 | 37% | 0.374 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -36.5 | -165.5 | -66.6 | -1.4 | 0 | 0 | 0 | 112.6 | K92 G96 L97 H123 | K92-N125 WeakPolarHBondContact CE-OD1 3.11Å; K92-N125 PolarHBondContact NZ-OD1 3.46Å; G96-N125 PolarHBondContact O-ND2 3.15Å; G96-N125 PolarHBondContact O-OD1 2.9Å; G96-N125 VanDerWaalsContact O-OD1 3.11Å; L97-N125 HydrophobicContact CD2-CB 3.95Å; L97-N125 WeakPolarHBondContact CD2-ND2 3.27Å; H123-N125 PolarHBondContact O-N 2.75Å |
| 126 | S | 87.4 | Confident | 91.5 | Very high | 69 Ų | 69 | 42.8 Ų | 42.8 | 48% | 0.483 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -27.7 | 173.1 | 49.1 | 0 | 0 | 0 | 0 | 112.7 | T128 | S126-T128 VanDerWaalsContact CB-OG1 3.26Å; S126-T128 WeakPolarHBondContact CB-OG1 3.33Å; S126-T128 PolarHBondContact O-N 3.27Å; S126-T128 PolarHBondContact OG-N 2.91Å; S126-T128 PolarHBondContact OG-OG1 3.42Å |
| 127 | G | 92.2 | Very high | 91.7 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | trans | 73.8 | -0.3 | -164.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y122 H123 A140 P141 | Y122-G127 WeakPolarHBondContact CE2-O 3.41Å; H123-G127 VanDerWaalsContact O-CA 3.29Å; H123-G127 WeakPolarHBondContact O-CA 3.24Å; H123-G127 PolarHBondContact O-N 3.48Å; G127-A140 VanDerWaalsContact O-CB 3.24Å; G127-A140 WeakPolarHBondContact O-CB 3.32Å; G127-P141 WeakPolarHBondContact CA-O 3Å | ||
| 128 | T | 94.2 | Very high | 92 | Very high | 24 Ų | 24 | 43.3 Ų | 43.3 | 15% | 0.147 | 24% | 0.238 | C | C | . | . | trans | -74 | 149.7 | -174.5 | 50.5 | 0 | 0 | 0 | 0 | 112.1 | H123 S126 Y130 E135 | H123-T128 PolarHBondContact N-O 3.46Å; S126-T128 VanDerWaalsContact CB-OG1 3.26Å; S126-T128 WeakPolarHBondContact CB-OG1 3.33Å; S126-T128 PolarHBondContact O-N 3.27Å; S126-T128 PolarHBondContact OG-N 2.91Å; S126-T128 PolarHBondContact OG-OG1 3.42Å; T128-Y130 WeakPolarHBondContact OG1-CE2 3.35Å; T128-Y130 VanDerWaalsContact OG1-CZ 3.3Å; T128-Y130 PolarHBondContact OG1-OH 3.19Å; T128-E135 HydrophobicContact CG2-CG 4.03Å; T128-E135 WeakPolarHBondContact CG2-OE1 3.48Å | ||
| 129 | I | 95.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 130.1 | 178.6 | -58.3 | 173.7 | 0 | 0 | 0 | 108 | G121 Y122 L136 I138 A140 F162 V169 I172 | G121-I129 CarbonylContact O-C 3.58Å; G121-I129 VanDerWaalsContact O-CA 3.32Å; G121-I129 WeakPolarHBondContact O-CA 3.25Å; Y122-I129 HydrophobicContact CD2-CD1 4.44Å; Y122-I129 HydrophobicContact CD2-CG1 3.77Å; Y122-I129 HydrophobicContact CG-CG1 4.14Å; I129-L136 HydrophobicContact CG2-CD1 4.07Å; I129-L136 PolarHBondContact O-N 2.9Å; I129-I138 HydrophobicContact CD1-CB 4.3Å; I129-I138 HydrophobicContact CD1-CD1 4.48Å; I129-I138 HydrophobicContact CD1-CG2 4Å; I129-A140 HydrophobicContact CD1-CB 3.82Å; I129-A140 HydrophobicContact CG1-CB 4.16Å; I129-F162 HydrophobicContact CD1-CD2 3.89Å; I129-F162 HydrophobicContact CD1-CE2 4.39Å; I129-F162 HydrophobicContact CG1-CD2 4.46Å; I129-F162 HydrophobicContact CG2-CD2 4.29Å; I129-F162 HydrophobicContact CG2-CE2 3.72Å; I129-V169 HydrophobicContact CD1-CG1 3.97Å; I129-I172 HydrophobicContact CD1-CD1 4.48Å; I129-I172 HydrophobicContact CG2-CD1 3.83Å |
| 130 | Y | 93.9 | Very high | 92.2 | Very high | 42 Ų | 42 | 48.3 Ų | 48.3 | 17% | 0.165 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 147.1 | -179.7 | -63.2 | -82.4 | 0 | 0 | 0 | 112.4 | G114 M115 Y120 G121 H123 T128 K134 E135 | G114-Y130 WeakPolarHBondContact CA-O 3.2Å; M115-Y130 HydrophobicContact CE-CD1 3.73Å; M115-Y130 HydrophobicContact CE-CD2 3.96Å; M115-Y130 HydrophobicContact CE-CG 3.46Å; M115-Y130 VanDerWaalsContact CE-CG 3.46Å; Y120-Y130 WeakPolarHBondContact CA-O 3.31Å; G121-Y130 PolarHBondContact N-O 3.1Å; G121-Y130 PolarHBondContact O-N 3.35Å; H123-Y130 HydrophobicContact CB-CE2 4.42Å; H123-Y130 AromaticContact CD2-CD2 3.64Å; H123-Y130 AromaticContact CE1-CD2 3.65Å; H123-Y130 AromaticContact CE1-CE2 3.97Å; H123-Y130 AromaticContact CG-CD2 3.86Å; H123-Y130 AromaticContact CG-CE2 3.93Å; H123-Y130 AromaticContact ND1-CD2 3.89Å; H123-Y130 AromaticContact ND1-CE2 3.81Å; H123-Y130 AromaticContact NE2-CD2 3.52Å; T128-Y130 WeakPolarHBondContact OG1-CE2 3.35Å; T128-Y130 VanDerWaalsContact OG1-CZ 3.3Å; T128-Y130 PolarHBondContact OG1-OH 3.19Å; Y130-K134 WeakPolarHBondContact CA-O 3.5Å; Y130-E135 HydrophobicContact CD1-CB 4.08Å; Y130-E135 HydrophobicContact CD1-CG 4.49Å; Y130-E135 HydrophobicContact CE1-CB 3.61Å; Y130-E135 HydrophobicContact CE1-CG 3.84Å; Y130-E135 WeakPolarHBondContact CE1-OE2 3.43Å; Y130-E135 PolarHBondContact OH-OE2 2.94Å |
| 131 | H | 92.5 | Very high | 92.2 | Very high | 31 Ų | 31 | 51 Ų | 51 | 14% | 0.144 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 135.6 | 164.7 | 169.3 | 62.1 | 0 | 0 | 0 | 108.7 | G114 F117 S119 Y120 S133 K134 L136 | G114-H131 CarbonylContact O-C 3.49Å; G114-H131 VanDerWaalsContact O-CA 3.27Å; G114-H131 WeakPolarHBondContact O-CA 3.36Å; G114-H131 PolarHBondContact O-N 2.64Å; F117-H131 PolarHBondContact O-CE1 2.93Å; S119-H131 PolarHBondContact O-ND1 2.9Å; Y120-H131 HydrophobicContact CD1-CB 3.76Å; Y120-H131 AromaticContact CD1-CG 3.87Å; Y120-H131 AromaticContact CD1-ND1 3.8Å; Y120-H131 HydrophobicContact CE1-CB 3.78Å; Y120-H131 AromaticContact CE1-CE1 3.95Å; Y120-H131 AromaticContact CE1-CG 3.44Å; Y120-H131 VanDerWaalsContact CE1-CG 3.44Å; Y120-H131 AromaticContact CE1-ND1 3.4Å; Y120-H131 WeakPolarHBondContact CE1-ND1 3.45Å; Y120-H131 AromaticContact CE2-CE1 3.88Å; Y120-H131 AromaticContact CE2-ND1 3.65Å; Y120-H131 AromaticContact CZ-CE1 3.46Å; Y120-H131 VanDerWaalsContact CZ-CE1 3.46Å; Y120-H131 AromaticContact CZ-CG 3.79Å; Y120-H131 AromaticContact CZ-ND1 3.3Å; Y120-H131 VanDerWaalsContact CZ-ND1 3.3Å; Y120-H131 PolarHBondContact OH-CE1 2.96Å; Y120-H131 VanDerWaalsContact OH-CE1 3.3Å; H131-S133 VanDerWaalsContact C-N 3.3Å; H131-S133 PolarHBondContact O-N 3.18Å; H131-K134 PolarHBondContact N-O 2.97Å; H131-K134 WeakPolarHBondContact O-CB 3.44Å; H131-K134 PolarHBondContact O-N 3.02Å; H131-L136 HydrophobicContact CB-CD1 4.04Å; H131-L136 HydrophobicContact CB-CD2 4.33Å; H131-L136 HydrophobicContact CB-CG 4.39Å |
| 132 | N | 90.6 | Very high | 92.1 | Very high | 57 Ų | 57 | 54.2 Ų | 54.2 | 31% | 0.305 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 44.5 | 179 | -169.1 | 34.1 | 0 | 0 | 0 | 114 | G114 M115 E116 F117 K134 | G114-N132 PolarHBondContact O-N 3.18Å; M115-N132 CarbonylContact O-C 3.42Å; E116-N132 PolarHBondContact O-N 3.37Å; F117-N132 WeakPolarHBondContact CA-OD1 3.28Å; F117-N132 WeakPolarHBondContact CB-OD1 3.38Å; F117-N132 HydrophobicContact CD2-CB 4.36Å; F117-N132 PolarHBondContact N-OD1 3.24Å; N132-K134 PolarHBondContact O-N 3.47Å |
| 133 | S | 91.6 | Very high | 92 | Very high | 80 Ų | 80 | 54.5 Ų | 54.5 | 56% | 0.559 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 13.8 | -176.4 | -72.5 | 0 | 0 | 0 | 0 | 114.8 | G114 M115 H131 | G114-S133 PolarHBondContact O-N 2.94Å; M115-S133 WeakPolarHBondContact O-CB 3.47Å; M115-S133 PolarHBondContact O-N 3.47Å; M115-S133 PolarHBondContact O-OG 3.24Å; H131-S133 VanDerWaalsContact C-N 3.3Å; H131-S133 PolarHBondContact O-N 3.18Å |
| 134 | K | 91.9 | Very high | 91.8 | Very high | 140 Ų | 140 | 54.6 Ų | 54.6 | 61% | 0.609 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 133.6 | 176.9 | -65.1 | 178 | -176.3 | -176.3 | 0 | 110.2 | Y130 H131 N132 | Y130-K134 WeakPolarHBondContact CA-O 3.5Å; H131-K134 PolarHBondContact N-O 2.97Å; H131-K134 WeakPolarHBondContact O-CB 3.44Å; H131-K134 PolarHBondContact O-N 3.02Å; N132-K134 PolarHBondContact O-N 3.47Å |
| 135 | E | 93.6 | Very high | 91.8 | Very high | 117 Ų | 117 | 59.6 Ų | 59.6 | 55% | 0.547 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 132.1 | 167 | -161.5 | 162.6 | 118.8 | 0 | 0 | 109.2 | T128 Y130 | T128-E135 HydrophobicContact CG2-CG 4.03Å; T128-E135 WeakPolarHBondContact CG2-OE1 3.48Å; Y130-E135 HydrophobicContact CD1-CB 4.08Å; Y130-E135 HydrophobicContact CD1-CG 4.49Å; Y130-E135 HydrophobicContact CE1-CB 3.61Å; Y130-E135 HydrophobicContact CE1-CG 3.84Å; Y130-E135 WeakPolarHBondContact CE1-OE2 3.43Å; Y130-E135 PolarHBondContact OH-OE2 2.94Å |
| 136 | L | 93 | Very high | 92.2 | Very high | 35 Ų | 35 | 60.9 Ų | 60.9 | 18% | 0.183 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 137 | 177.8 | -58.5 | -176.3 | 0 | 0 | 0 | 109.6 | I129 H131 I138 I172 | I129-L136 HydrophobicContact CG2-CD1 4.07Å; I129-L136 PolarHBondContact O-N 2.9Å; H131-L136 HydrophobicContact CB-CD1 4.04Å; H131-L136 HydrophobicContact CB-CD2 4.33Å; H131-L136 HydrophobicContact CB-CG 4.39Å; L136-I138 HydrophobicContact CB-CD1 4.22Å; L136-I138 HydrophobicContact CB-CG1 4.36Å; L136-I138 PolarHBondContact O-N 3.21Å; L136-I172 HydrophobicContact CD1-CB 4.43Å; L136-I172 HydrophobicContact CD1-CD1 4.45Å; L136-I172 HydrophobicContact CD1-CG1 4.06Å; L136-I172 HydrophobicContact CD1-CG2 3.47Å; L136-I172 VanDerWaalsContact CD1-CG2 3.47Å |
| 137 | P | 91.3 | Very high | 92.6 | Very high | 138 Ų | 138 | 58.8 Ų | 58.8 | 90% | 0.896 | 34% | 0.343 | S | S | * | . | trans | -77.9 | 60.1 | -175.5 | 33.8 | -37.5 | 0 | 0 | 0 | 111.9 | ||||
| 138 | I | 90.1 | Very high | 92.9 | Very high | 46 Ų | 46 | 61 Ų | 61 | 24% | 0.236 | 36% | 0.355 | C | S | . | . | trans | -116.3 | 123.8 | -178.1 | -62.2 | 174.4 | 0 | 0 | 0 | 108.2 | I129 L136 A140 V169 I172 | I129-I138 HydrophobicContact CD1-CB 4.3Å; I129-I138 HydrophobicContact CD1-CD1 4.48Å; I129-I138 HydrophobicContact CD1-CG2 4Å; L136-I138 HydrophobicContact CB-CD1 4.22Å; L136-I138 HydrophobicContact CB-CG1 4.36Å; L136-I138 PolarHBondContact O-N 3.21Å; I138-A140 HydrophobicContact CG2-CB 4.49Å; I138-A140 PolarHBondContact O-N 3.24Å; I138-V169 HydrophobicContact CG2-CG1 4.19Å; I138-I172 HydrophobicContact CD1-CD1 4.17Å; I138-I172 HydrophobicContact CD1-CG1 3.33Å | ||
| 139 | S | 88.2 | Confident | 93 | Very high | 129 Ų | 129 | 59.9 Ų | 59.9 | 90% | 0.902 | 35% | 0.348 | S | S | * | . | trans | -72.7 | 99.7 | 173.7 | -169 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 140 | A | 93.5 | Very high | 93.2 | Very high | 16 Ų | 16 | 59.9 Ų | 59.9 | 13% | 0.132 | 35% | 0.348 | C | S | . | . | trans | -125.5 | 135.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y122 G127 I129 I138 V169 | Y122-A140 HydrophobicContact CD2-CB 4.49Å; Y122-A140 HydrophobicContact CE2-CB 3.84Å; G127-A140 VanDerWaalsContact O-CB 3.24Å; G127-A140 WeakPolarHBondContact O-CB 3.32Å; I129-A140 HydrophobicContact CD1-CB 3.82Å; I129-A140 HydrophobicContact CG1-CB 4.16Å; I138-A140 HydrophobicContact CG2-CB 4.49Å; I138-A140 PolarHBondContact O-N 3.24Å; A140-V169 HydrophobicContact CB-CG1 3.53Å | ||
| 141 | P | 93.6 | Very high | 93.4 | Very high | 62 Ų | 62 | 57.9 Ų | 57.9 | 40% | 0.403 | 34% | 0.34 | S | S | . | . | trans | -73.1 | 156.6 | -177 | 29.4 | -34.8 | 0 | 0 | 0 | 111.7 | Y122 G127 K164 | Y122-P141 WeakPolarHBondContact CE2-O 3.5Å; Y122-P141 WeakPolarHBondContact OH-CD 3.3Å; Y122-P141 PolarHBondContact OH-O 3.22Å; G127-P141 WeakPolarHBondContact CA-O 3Å; P141-K164 HydrophobicContact CB-CD 4.2Å; P141-K164 HydrophobicContact CG-CB 4.29Å; P141-K164 HydrophobicContact CG-CD 3.55Å; P141-K164 HydrophobicContact CG-CG 4.47Å | ||
| 142 | S | 94 | Very high | 93.7 | Very high | 67 Ų | 67 | 56.4 Ų | 56.4 | 47% | 0.469 | 33% | 0.333 | S | S | . | . | trans | -66.7 | 158.1 | 163.3 | 56.5 | 0 | 0 | 0 | 0 | 111 | S124 K164 | S124-S142 CarbonylContact O-C 3.28Å; S124-S142 WeakPolarHBondContact O-CA 3.4Å; S124-S142 VanDerWaalsContact O-CB 3.29Å; S124-S142 WeakPolarHBondContact O-CB 3.38Å; S142-K164 PolarHBondContact O-NZ 3.36Å | ||
| 143 | F | 93.2 | Very high | 94 | Very high | 5 Ų | 5 | 53.8 Ų | 53.8 | 2% | 0.022 | 32% | 0.319 | C | S | . | . | trans | -136.6 | 150.3 | 179.1 | 62.8 | -98.7 | 0 | 0 | 0 | 114 | V89 K92 L98 Y122 S124 D147 I149 K164 | V89-F143 HydrophobicContact CG2-CD2 4.28Å; K92-F143 PolarHBondContact NZ-O 2.96Å; L98-F143 HydrophobicContact CB-CE2 4.39Å; Y122-F143 HydrophobicContact CD1-CD1 4.4Å; Y122-F143 AromaticContact CD1-CE1 3.93Å; Y122-F143 HydrophobicContact CD1-CE1 3.93Å; Y122-F143 HydrophobicContact CD2-CD1 4.43Å; Y122-F143 AromaticContact CD2-CE1 3.94Å; Y122-F143 HydrophobicContact CD2-CE1 3.94Å; Y122-F143 AromaticContact CE1-CD1 3.97Å; Y122-F143 HydrophobicContact CE1-CD1 3.97Å; Y122-F143 AromaticContact CE1-CE1 3.97Å; Y122-F143 HydrophobicContact CE1-CE1 3.97Å; Y122-F143 AromaticContact CE2-CD1 3.96Å; Y122-F143 HydrophobicContact CE2-CD1 3.96Å; Y122-F143 AromaticContact CE2-CE1 3.94Å; Y122-F143 HydrophobicContact CE2-CE1 3.94Å; Y122-F143 AromaticContact CG-CE1 3.91Å; Y122-F143 HydrophobicContact CG-CE1 3.91Å; Y122-F143 AromaticContact CZ-CD1 3.71Å; Y122-F143 AromaticContact CZ-CE1 3.96Å; S124-F143 VanDerWaalsContact CB-CE2 3.46Å; S124-F143 PolarHBondContact O-N 3.31Å; F143-D147 VanDerWaalsContact CA-OD2 3.26Å; F143-D147 WeakPolarHBondContact CA-OD2 3.2Å; F143-D147 HydrophobicContact CB-CB 4.14Å; F143-I149 HydrophobicContact CB-CD1 3.48Å; F143-I149 VanDerWaalsContact CB-CD1 3.48Å; F143-I149 HydrophobicContact CB-CG1 3.98Å; F143-I149 HydrophobicContact CD1-CD1 3.84Å; F143-I149 HydrophobicContact CD1-CG1 4.01Å; F143-I149 HydrophobicContact CD2-CD1 4.18Å; F143-I149 HydrophobicContact CD2-CG1 3.69Å; F143-I149 HydrophobicContact CE1-CG1 4.36Å; F143-I149 HydrophobicContact CE1-CG2 4.4Å; F143-I149 HydrophobicContact CE2-CG1 4.08Å; F143-I149 HydrophobicContact CG-CD1 3.61Å; F143-I149 HydrophobicContact CG-CG1 3.65Å; F143-I149 HydrophobicContact CZ-CG1 4.4Å; F143-K164 HydrophobicContact CB-CD 4.42Å | ||
| 144 | G | 91.8 | Very high | 94.1 | Very high | 17 Ų | 17 | 50 Ų | 50 | 18% | 0.175 | 29% | 0.292 | C | S | . | . | trans | -144.5 | -160.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | V89 D147 | V89-G144 VanDerWaalsContact CB-O 3.27Å; V89-G144 WeakPolarHBondContact CB-O 3.4Å; G144-D147 PolarHBondContact N-OD2 3.07Å; G144-D147 WeakPolarHBondContact O-CB 2.78Å; G144-D147 PolarHBondContact O-N 2.97Å | ||
| 145 | E | 91.8 | Very high | 94.1 | Very high | 105 Ų | 105 | 44.5 Ų | 44.5 | 49% | 0.491 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 143.6 | 178 | -163.6 | 166.1 | 109.8 | 0 | 0 | 111.7 | V89 V91 K92 D147 | V89-E145 CarbonylContact O-C 3.48Å; V89-E145 WeakPolarHBondContact O-CA 3.11Å; V91-E145 WeakPolarHBondContact CA-OE2 3.26Å; K92-E145 HydrophobicContact CB-CB 4.2Å; K92-E145 PolarHBondContact N-OE2 3.34Å; E145-D147 PolarHBondContact O-N 2.93Å |
| 146 | S | 92.6 | Very high | 93.9 | Very high | 98 Ų | 98 | 43.3 Ų | 43.3 | 69% | 0.685 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | -1.7 | -171.8 | -53.6 | 0 | 0 | 0 | 0 | 116.8 | V89 | V89-S146 PolarHBondContact O-N 3.29Š|
| 147 | D | 95.7 | Very high | 93.8 | Very high | 25 Ų | 25 | 45.1 Ų | 45.1 | 13% | 0.134 | 28% | 0.279 | C | S | . | . | trans | -75.6 | 140.6 | 170.6 | -72.9 | -47.8 | 0 | 0 | 0 | 111.5 | V89 F143 G144 E145 I149 K164 N165 | V89-D147 PolarHBondContact N-O 3.35Å; V89-D147 VanDerWaalsContact N-O 3.09Å; F143-D147 VanDerWaalsContact CA-OD2 3.26Å; F143-D147 WeakPolarHBondContact CA-OD2 3.2Å; F143-D147 HydrophobicContact CB-CB 4.14Å; G144-D147 PolarHBondContact N-OD2 3.07Å; G144-D147 WeakPolarHBondContact O-CB 2.78Å; G144-D147 PolarHBondContact O-N 2.97Å; E145-D147 PolarHBondContact O-N 2.93Å; D147-I149 HydrophobicContact CB-CD1 4.24Å; D147-K164 WeakPolarHBondContact OD1-CE 3.15Å; D147-K164 IonicContact OD1-NZ 3.34Å; D147-K164 PolarHBondContact OD1-NZ 3.5Å; D147-K164 VanDerWaalsContact OD1-NZ 3.16Å; D147-K164 WeakPolarHBondContact OD2-CE 3.48Å; D147-K164 IonicContact OD2-NZ 2.77Å; D147-K164 PolarHBondContact OD2-NZ 2.96Å; D147-N165 WeakPolarHBondContact CA-OD1 3.3Å; D147-N165 PolarHBondContact OD1-ND2 2.93Å | ||
| 148 | I | 97.8 | Very high | 93.8 | Very high | 48 Ų | 48 | 40.6 Ų | 40.6 | 25% | 0.246 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 121.6 | 169.2 | -58.5 | 175.8 | 0 | 0 | 0 | 108.1 | E86 I87 T88 N165 A205 | E86-I148 HydrophobicContact CB-CG2 4.03Å; E86-I148 HydrophobicContact CG-CG2 4.1Å; I87-I148 CarbonylContact O-C 3.59Å; I87-I148 VanDerWaalsContact O-CA 3.27Å; I87-I148 WeakPolarHBondContact O-CA 3.15Å; T88-I148 HydrophobicContact CG2-CG1 4.34Å; I148-N165 PolarHBondContact N-OD1 2.87Å; I148-N165 PolarHBondContact O-N 2.98Å; I148-N165 PolarHBondContact O-OD1 3.21Å; I148-A205 HydrophobicContact CB-CB 4.45Å; I148-A205 HydrophobicContact CD1-CB 4.04Å; I148-A205 HydrophobicContact CG2-CB 4Å |
| 149 | I | 98 | Very high | 94 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 120.3 | -178.2 | -51.6 | -63.5 | 0 | 0 | 0 | 109.7 | E86 I87 L100 Y122 F143 D147 T163 K164 | E86-I149 WeakPolarHBondContact CA-O 3.21Å; I87-I149 HydrophobicContact CD1-CB 4.48Å; I87-I149 HydrophobicContact CG1-CB 4.01Å; I87-I149 PolarHBondContact N-O 3.45Å; I87-I149 PolarHBondContact O-N 3.03Å; L100-I149 HydrophobicContact CD2-CB 4.45Å; L100-I149 HydrophobicContact CD2-CG2 3.5Å; Y122-I149 HydrophobicContact CD1-CG2 3.62Å; Y122-I149 HydrophobicContact CE1-CD1 4.35Å; Y122-I149 HydrophobicContact CE1-CG2 3.64Å; F143-I149 HydrophobicContact CB-CD1 3.48Å; F143-I149 VanDerWaalsContact CB-CD1 3.48Å; F143-I149 HydrophobicContact CB-CG1 3.98Å; F143-I149 HydrophobicContact CD1-CD1 3.84Å; F143-I149 HydrophobicContact CD1-CG1 4.01Å; F143-I149 HydrophobicContact CD2-CD1 4.18Å; F143-I149 HydrophobicContact CD2-CG1 3.69Å; F143-I149 HydrophobicContact CE1-CG1 4.36Å; F143-I149 HydrophobicContact CE1-CG2 4.4Å; F143-I149 HydrophobicContact CE2-CG1 4.08Å; F143-I149 HydrophobicContact CG-CD1 3.61Å; F143-I149 HydrophobicContact CG-CG1 3.65Å; F143-I149 HydrophobicContact CZ-CG1 4.4Å; D147-I149 HydrophobicContact CB-CD1 4.24Å; I149-T163 WeakPolarHBondContact CA-O 3.14Å; I149-T163 WeakPolarHBondContact CG2-O 3.46Å; I149-K164 HydrophobicContact CD1-CB 3.86Å; I149-K164 HydrophobicContact CD1-CD 4.09Å; I149-K164 HydrophobicContact CD1-CG 3.67Å |
| 150 | G | 98.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 154 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y84 F85 F162 T163 | Y84-G150 WeakPolarHBondContact OH-CA 3.43Å; F85-G150 CarbonylContact O-C 3.47Å; F85-G150 WeakPolarHBondContact O-CA 3.43Å; G150-F162 CarbonylContact O-C 3.58Å; G150-F162 WeakPolarHBondContact O-CA 3.38Å; G150-F162 WeakPolarHBondContact O-CD1 3.39Å; G150-T163 VanDerWaalsContact CA-OG1 3.26Å; G150-T163 WeakPolarHBondContact CA-OG1 3.49Å; G150-T163 PolarHBondContact N-O 3.23Å; G150-T163 PolarHBondContact N-OG1 3.47Å; G150-T163 VanDerWaalsContact N-OG1 3.11Å; G150-T163 PolarHBondContact O-N 2.9Å |
| 151 | C | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 128.6 | 165.5 | -179 | 0 | 0 | 0 | 0 | 109.2 | Y84 F85 L100 F161 F162 | Y84-C151 WeakPolarHBondContact CA-O 3.34Å; Y84-C151 WeakPolarHBondContact CD2-O 3.5Å; F85-C151 HydrophobicContact CD1-CB 4.21Å; F85-C151 WeakPolarHBondContact CD1-O 3.44Å; F85-C151 HydrophobicContact CE1-CB 3.53Å; F85-C151 HydrophobicContact CZ-CB 3.71Å; F85-C151 PolarHBondContact N-O 3.23Å; F85-C151 PolarHBondContact O-N 3.15Å; L100-C151 HydrophobicContact CD1-CB 4.03Å; L100-C151 HydrophobicContact CD2-CB 4.23Å; L100-C151 HydrophobicContact CG-CB 4.05Å; C151-F161 WeakPolarHBondContact CA-O 3.25Å; C151-F162 HydrophobicContact CB-CD1 3.9Å; C151-F162 HydrophobicContact CB-CE1 3.9Å |
| 152 | G | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 145.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y83 V160 F161 | Y83-G152 CarbonylContact O-C 3.59Å; Y83-G152 VanDerWaalsContact O-CA 3.25Å; Y83-G152 WeakPolarHBondContact O-CA 3.36Å; G152-V160 CarbonylContact O-C 3.59Å; G152-V160 WeakPolarHBondContact O-CA 3.46Å; G152-F161 PolarHBondContact N-O 2.94Å; G152-F161 PolarHBondContact O-N 3.33Å |
| 153 | V | 96.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 122.8 | -178.7 | -176.5 | 0 | 0 | 0 | 0 | 108.2 | I76 V82 Y83 V102 F155 L178 | I76-V153 HydrophobicContact CD1-CB 4.19Å; I76-V153 HydrophobicContact CD1-CG2 3.71Å; V82-V153 CarbonylContact C-O 3.55Å; V82-V153 VanDerWaalsContact CA-O 3.26Å; V82-V153 WeakPolarHBondContact CA-O 3.45Å; Y83-V153 PolarHBondContact N-O 2.85Å; Y83-V153 PolarHBondContact O-N 3.25Å; V102-V153 HydrophobicContact CG1-CG2 3.76Å; V102-V153 HydrophobicContact CG2-CG2 4.41Å; V153-F155 HydrophobicContact CG1-CD1 4.4Å; V153-F155 HydrophobicContact CG1-CE1 3.97Å; V153-F155 HydrophobicContact CG1-CE2 4.24Å; V153-F155 HydrophobicContact CG1-CZ 3.89Å; V153-L178 HydrophobicContact CG1-CD1 3.66Å |
| 154 | N | 94.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 104.9 | -178.9 | -177.2 | -29.4 | 0 | 0 | 0 | 109 | V82 V156 N157 N158 S159 L178 Y211 E215 | V82-N154 HydrophobicContact CG2-CB 4.16Å; N154-V156 VanDerWaalsContact C-N 3.33Å; N154-V156 WeakPolarHBondContact OD1-CB 3.15Å; N154-V156 PolarHBondContact OD1-N 3.27Å; N154-V156 VanDerWaalsContact OD1-N 3.1Å; N154-N157 WeakPolarHBondContact CB-OD1 3.39Å; N154-N157 VanDerWaalsContact CG-CG 3.45Å; N154-N157 PolarHBondContact ND2-ND2 2.79Å; N154-N157 PolarHBondContact OD1-N 2.82Å; N154-N157 VanDerWaalsContact OD1-N 3.16Å; N154-N157 PolarHBondContact OD1-OD1 2.97Å; N154-N158 CarbonylContact O-C 3.53Å; N154-N158 WeakPolarHBondContact O-CA 3.44Å; N154-N158 PolarHBondContact O-N 2.91Å; N154-S159 PolarHBondContact N-O 3.32Å; N154-S159 PolarHBondContact O-N 3.09Å; N154-L178 WeakPolarHBondContact O-CD1 3.35Å; N154-Y211 PolarHBondContact ND2-OH 3.08Å; N154-E215 PolarHBondContact ND2-OE2 3.08Å |
| 155 | F | 92.7 | Very high | 95.4 | Very high | 25 Ų | 25 | 30 Ų | 30 | 11% | 0.11 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -21.4 | -179.2 | -62.8 | -72 | 0 | 0 | 0 | 112.9 | I76 V78 S81 V153 N158 L178 V182 | I76-F155 HydrophobicContact CB-CE2 4.37Å; I76-F155 HydrophobicContact CB-CZ 4.03Å; I76-F155 HydrophobicContact CG2-CE2 3.6Å; I76-F155 HydrophobicContact CG2-CZ 3.77Å; V78-F155 HydrophobicContact CG1-CB 4.18Å; V78-F155 HydrophobicContact CG1-CG 4.22Å; S81-F155 PolarHBondContact O-N 3.22Å; V153-F155 HydrophobicContact CG1-CD1 4.4Å; V153-F155 HydrophobicContact CG1-CE1 3.97Å; V153-F155 HydrophobicContact CG1-CE2 4.24Å; V153-F155 HydrophobicContact CG1-CZ 3.89Å; F155-N158 PolarHBondContact O-ND2 3.37Å; F155-L178 HydrophobicContact CD1-CD1 4.03Å; F155-L178 HydrophobicContact CE1-CD1 4.41Å; F155-V182 HydrophobicContact CE1-CG2 3.91Å; F155-V182 HydrophobicContact CZ-CG2 4.33Å |
| 156 | V | 89.3 | Confident | 95.7 | Very high | 92 Ų | 92 | 26.2 Ų | 26.2 | 56% | 0.558 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -45.9 | -178.8 | -171.9 | 0 | 0 | 0 | 0 | 110.7 | N154 | N154-V156 VanDerWaalsContact C-N 3.33Å; N154-V156 WeakPolarHBondContact OD1-CB 3.15Å; N154-V156 PolarHBondContact OD1-N 3.27Å; N154-V156 VanDerWaalsContact OD1-N 3.1Å |
| 157 | N | 89.5 | Confident | 95.9 | Very high | 74 Ų | 74 | 26.3 Ų | 26.3 | 40% | 0.396 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 1.9 | 178.4 | 65.4 | 26.5 | 0 | 0 | 0 | 114 | N154 S159 E215 | N154-N157 WeakPolarHBondContact CB-OD1 3.39Å; N154-N157 VanDerWaalsContact CG-CG 3.45Å; N154-N157 PolarHBondContact ND2-ND2 2.79Å; N154-N157 PolarHBondContact OD1-N 2.82Å; N154-N157 VanDerWaalsContact OD1-N 3.16Å; N154-N157 PolarHBondContact OD1-OD1 2.97Å; N157-S159 VanDerWaalsContact OD1-CB 3.3Å; N157-S159 WeakPolarHBondContact OD1-CB 3.39Å; N157-S159 PolarHBondContact OD1-N 3.43Å; N157-S159 PolarHBondContact OD1-OG 3.47Å; N157-E215 PolarHBondContact ND2-OE2 3.06Å |
| 158 | N | 92 | Very high | 96 | Very high | 43 Ų | 43 | 28.5 Ų | 28.5 | 23% | 0.23 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 56.1 | -177 | -67.1 | -89.3 | 0 | 0 | 0 | 112.7 | N154 F155 A174 K177 L178 | N154-N158 CarbonylContact O-C 3.53Å; N154-N158 WeakPolarHBondContact O-CA 3.44Å; N154-N158 PolarHBondContact O-N 2.91Å; F155-N158 PolarHBondContact O-ND2 3.37Å; N158-A174 WeakPolarHBondContact O-CB 3.46Å; N158-A174 PolarHBondContact O-N 2.93Å; N158-K177 WeakPolarHBondContact OD1-CA 3.2Å; N158-L178 HydrophobicContact CB-CD1 4.47Å; N158-L178 HydrophobicContact CB-CG 4.11Å; N158-L178 PolarHBondContact OD1-N 2.95Å |
| 159 | S | 93.9 | Very high | 95.9 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.014 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 157.2 | 175.1 | 69.2 | 0 | 0 | 0 | 0 | 113.6 | N154 N157 I172 | N154-S159 PolarHBondContact N-O 3.32Å; N154-S159 PolarHBondContact O-N 3.09Å; N157-S159 VanDerWaalsContact OD1-CB 3.3Å; N157-S159 WeakPolarHBondContact OD1-CB 3.39Å; N157-S159 PolarHBondContact OD1-N 3.43Å; N157-S159 PolarHBondContact OD1-OG 3.47Å; S159-I172 CarbonylContact C-O 3.51Å; S159-I172 WeakPolarHBondContact CA-O 3.01Å; S159-I172 WeakPolarHBondContact CB-O 3.45Å |
| 160 | V | 95.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 147.1 | 165.6 | 178.6 | 0 | 0 | 0 | 0 | 107.9 | V102 Y120 G152 F162 I172 L178 | V102-V160 HydrophobicContact CG2-CG1 4.5Å; V102-V160 HydrophobicContact CG2-CG2 4.02Å; Y120-V160 HydrophobicContact CD1-CB 4.27Å; Y120-V160 HydrophobicContact CD1-CG2 4.19Å; Y120-V160 HydrophobicContact CD2-CG2 3.81Å; Y120-V160 HydrophobicContact CE1-CG2 4.48Å; Y120-V160 HydrophobicContact CE2-CG2 4.13Å; Y120-V160 HydrophobicContact CG-CB 4.26Å; Y120-V160 HydrophobicContact CG-CG1 4.48Å; Y120-V160 HydrophobicContact CG-CG2 3.86Å; G152-V160 CarbonylContact O-C 3.59Å; G152-V160 WeakPolarHBondContact O-CA 3.46Å; V160-F162 HydrophobicContact CG1-CE2 4.12Å; V160-F162 HydrophobicContact CG1-CZ 4.13Å; V160-I172 PolarHBondContact N-O 2.94Å; V160-I172 WeakPolarHBondContact O-CA 3.24Å; V160-I172 VanDerWaalsContact O-CB 3.3Å; V160-I172 WeakPolarHBondContact O-CB 3.49Å; V160-I172 PolarHBondContact O-N 2.9Å; V160-L178 HydrophobicContact CG2-CD2 3.93Å |
| 161 | F | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 163.9 | 168.4 | 64.9 | -92.7 | 0 | 0 | 0 | 110.4 | V82 Y84 C151 G152 T163 F168 Y206 I208 Y211 | V82-F161 HydrophobicContact CG1-CE1 4.38Å; Y84-F161 AromaticContact CD2-CE2 3.81Å; Y84-F161 HydrophobicContact CD2-CE2 3.81Å; Y84-F161 HydrophobicContact CD2-CZ 4.06Å; Y84-F161 AromaticContact CE2-CE2 3.9Å; Y84-F161 HydrophobicContact CE2-CE2 3.9Å; C151-F161 WeakPolarHBondContact CA-O 3.25Å; G152-F161 PolarHBondContact N-O 2.94Å; G152-F161 PolarHBondContact O-N 3.33Å; F161-T163 HydrophobicContact CD2-CG2 4.38Å; F161-T163 HydrophobicContact CE2-CG2 4.36Å; F161-F168 HydrophobicContact CB-CE2 3.66Å; F161-F168 HydrophobicContact CB-CZ 3.82Å; F161-F168 HydrophobicContact CD1-CE2 4.14Å; F161-F168 AromaticContact CD2-CD2 3.74Å; F161-F168 HydrophobicContact CD2-CD2 3.74Å; F161-F168 AromaticContact CD2-CE2 3.37Å; F161-F168 HydrophobicContact CD2-CE2 3.37Å; F161-F168 HydrophobicContact CD2-CZ 4.37Å; F161-F168 HydrophobicContact CE2-CD2 4.19Å; F161-F168 AromaticContact CE2-CE2 3.96Å; F161-F168 HydrophobicContact CE2-CE2 3.96Å; F161-F168 HydrophobicContact CG-CD2 4.28Å; F161-F168 AromaticContact CG-CE2 3.47Å; F161-F168 HydrophobicContact CG-CE2 3.47Å; F161-F168 VanDerWaalsContact CG-CE2 3.47Å; F161-F168 HydrophobicContact CG-CZ 4.09Å; F161-Y206 HydrophobicContact CE2-CD1 4.43Å; F161-Y206 AromaticContact CE2-CE1 3.99Å; F161-Y206 HydrophobicContact CE2-CE1 3.99Å; F161-Y206 HydrophobicContact CZ-CE1 4.45Å; F161-I208 HydrophobicContact CZ-CD1 4Å; F161-Y211 HydrophobicContact CD1-CE1 4.4Å; F161-Y211 HydrophobicContact CE1-CD1 4.1Å; F161-Y211 AromaticContact CE1-CE1 3.5Å; F161-Y211 HydrophobicContact CE1-CE1 3.5Å; F161-Y211 VanDerWaalsContact CE1-CE1 3.5Å; F161-Y211 HydrophobicContact CE1-CE2 4.31Å; F161-Y211 AromaticContact CE1-CZ 3.64Å; F161-Y211 AromaticContact CZ-CD1 3.98Å; F161-Y211 HydrophobicContact CZ-CD1 3.98Å; F161-Y211 AromaticContact CZ-CE1 3.87Å; F161-Y211 HydrophobicContact CZ-CE1 3.87Å; F161-Y211 HydrophobicContact CZ-CG 4.39Å |
| 162 | F | 98.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 168 | 175.7 | -64.7 | -80.8 | 0 | 0 | 0 | 110.1 | L100 Y122 I129 G150 C151 V160 V169 I172 | L100-F162 HydrophobicContact CD2-CD1 3.7Å; L100-F162 HydrophobicContact CD2-CE1 3.74Å; Y122-F162 HydrophobicContact CD1-CB 3.77Å; Y122-F162 AromaticContact CD1-CD1 3.83Å; Y122-F162 HydrophobicContact CD1-CD1 3.83Å; Y122-F162 AromaticContact CD1-CG 3.82Å; Y122-F162 HydrophobicContact CD1-CG 3.82Å; Y122-F162 HydrophobicContact CE1-CB 4.23Å; Y122-F162 HydrophobicContact CG-CD1 4.22Å; Y122-F162 HydrophobicContact CG-CG 4.18Å; I129-F162 HydrophobicContact CD1-CD2 3.89Å; I129-F162 HydrophobicContact CD1-CE2 4.39Å; I129-F162 HydrophobicContact CG1-CD2 4.46Å; I129-F162 HydrophobicContact CG2-CD2 4.29Å; I129-F162 HydrophobicContact CG2-CE2 3.72Å; G150-F162 CarbonylContact O-C 3.58Å; G150-F162 WeakPolarHBondContact O-CA 3.38Å; G150-F162 WeakPolarHBondContact O-CD1 3.39Å; C151-F162 HydrophobicContact CB-CD1 3.9Å; C151-F162 HydrophobicContact CB-CE1 3.9Å; V160-F162 HydrophobicContact CG1-CE2 4.12Å; V160-F162 HydrophobicContact CG1-CZ 4.13Å; F162-V169 HydrophobicContact CB-CB 4.19Å; F162-V169 PolarHBondContact N-O 3.18Å; F162-V169 WeakPolarHBondContact O-CA 3.29Å; F162-V169 PolarHBondContact O-N 3.28Å; F162-V169 VanDerWaalsContact O-O 3.09Å; F162-I172 HydrophobicContact CD2-CD1 3.71Å; F162-I172 HydrophobicContact CE2-CD1 3.52Å |
| 163 | T | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 157.3 | 167.7 | 74.1 | 0 | 0 | 0 | 0 | 110 | Y84 I149 G150 F161 V167 Y206 | Y84-T163 HydrophobicContact CE2-CG2 3.83Å; Y84-T163 WeakPolarHBondContact OH-CG2 3.49Å; Y84-T163 PolarHBondContact OH-OG1 3.43Å; I149-T163 WeakPolarHBondContact CA-O 3.14Å; I149-T163 WeakPolarHBondContact CG2-O 3.46Å; G150-T163 VanDerWaalsContact CA-OG1 3.26Å; G150-T163 WeakPolarHBondContact CA-OG1 3.49Å; G150-T163 PolarHBondContact N-O 3.23Å; G150-T163 PolarHBondContact N-OG1 3.47Å; G150-T163 VanDerWaalsContact N-OG1 3.11Å; G150-T163 PolarHBondContact O-N 2.9Å; F161-T163 HydrophobicContact CD2-CG2 4.38Å; F161-T163 HydrophobicContact CE2-CG2 4.36Å; T163-V167 CarbonylContact C-O 3.54Å; T163-V167 WeakPolarHBondContact CA-O 3.48Å; T163-V167 VanDerWaalsContact CB-O 3.27Å; T163-V167 WeakPolarHBondContact CB-O 3.44Å; T163-Y206 HydrophobicContact CG2-CD1 3.95Å; T163-Y206 HydrophobicContact CG2-CD2 3.99Å; T163-Y206 HydrophobicContact CG2-CE1 4.4Å; T163-Y206 HydrophobicContact CG2-CE2 4.43Å; T163-Y206 HydrophobicContact CG2-CG 3.73Å |
| 164 | K | 97.8 | Very high | 93.3 | Very high | 36 Ų | 36 | 37.5 Ų | 37.5 | 16% | 0.157 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 122.1 | 165 | 177.5 | 171.5 | -169.9 | -178.4 | 0 | 109.5 | P141 S142 F143 D147 I149 G166 V167 | P141-K164 HydrophobicContact CB-CD 4.2Å; P141-K164 HydrophobicContact CG-CB 4.29Å; P141-K164 HydrophobicContact CG-CD 3.55Å; P141-K164 HydrophobicContact CG-CG 4.47Å; S142-K164 PolarHBondContact O-NZ 3.36Å; F143-K164 HydrophobicContact CB-CD 4.42Å; D147-K164 WeakPolarHBondContact OD1-CE 3.15Å; D147-K164 IonicContact OD1-NZ 3.34Å; D147-K164 PolarHBondContact OD1-NZ 3.5Å; D147-K164 VanDerWaalsContact OD1-NZ 3.16Å; D147-K164 WeakPolarHBondContact OD2-CE 3.48Å; D147-K164 IonicContact OD2-NZ 2.77Å; D147-K164 PolarHBondContact OD2-NZ 2.96Å; I149-K164 HydrophobicContact CD1-CB 3.86Å; I149-K164 HydrophobicContact CD1-CD 4.09Å; I149-K164 HydrophobicContact CD1-CG 3.67Å; K164-G166 PolarHBondContact O-N 2.96Å; K164-V167 PolarHBondContact N-O 2.71Å; K164-V167 WeakPolarHBondContact O-CB 3.46Å; K164-V167 PolarHBondContact O-N 3.37Å |
| 165 | N | 97.7 | Very high | 92.1 | Very high | 81 Ų | 81 | 41.3 Ų | 41.3 | 43% | 0.433 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 41.6 | 176.2 | -55 | -18.2 | 0 | 0 | 0 | 112.5 | D147 I148 V167 | D147-N165 WeakPolarHBondContact CA-OD1 3.3Å; D147-N165 PolarHBondContact OD1-ND2 2.93Å; I148-N165 PolarHBondContact N-OD1 2.87Å; I148-N165 PolarHBondContact O-N 2.98Å; I148-N165 PolarHBondContact O-OD1 3.21Å; N165-V167 VanDerWaalsContact C-N 3.33Å; N165-V167 PolarHBondContact O-N 3.27Å |
| 166 | G | 97.3 | Very high | 91.3 | Very high | 26 Ų | 26 | 47.8 Ų | 47.8 | 27% | 0.268 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | -2.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | K164 Y206 | K164-G166 PolarHBondContact O-N 2.96Å; G166-Y206 WeakPolarHBondContact O-CD2 3.39Å |
| 167 | V | 97.3 | Very high | 90.9 | Very high | 99 Ų | 99 | 52.2 Ų | 52.2 | 60% | 0.6 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 131.4 | 174.3 | -174.2 | 0 | 0 | 0 | 0 | 110.2 | T163 K164 N165 | T163-V167 CarbonylContact C-O 3.54Å; T163-V167 WeakPolarHBondContact CA-O 3.48Å; T163-V167 VanDerWaalsContact CB-O 3.27Å; T163-V167 WeakPolarHBondContact CB-O 3.44Å; K164-V167 PolarHBondContact N-O 2.71Å; K164-V167 WeakPolarHBondContact O-CB 3.46Å; K164-V167 PolarHBondContact O-N 3.37Å; N165-V167 VanDerWaalsContact C-N 3.33Å; N165-V167 PolarHBondContact O-N 3.27Å |
| 168 | F | 97.3 | Very high | 90.6 | Very high | 71 Ų | 71 | 49.3 Ų | 49.3 | 31% | 0.311 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 141.4 | -177.3 | -179.3 | -93 | 0 | 0 | 0 | 113 | F161 G170 P171 Y206 Y211 | F161-F168 HydrophobicContact CB-CE2 3.66Å; F161-F168 HydrophobicContact CB-CZ 3.82Å; F161-F168 HydrophobicContact CD1-CE2 4.14Å; F161-F168 AromaticContact CD2-CD2 3.74Å; F161-F168 HydrophobicContact CD2-CD2 3.74Å; F161-F168 AromaticContact CD2-CE2 3.37Å; F161-F168 HydrophobicContact CD2-CE2 3.37Å; F161-F168 HydrophobicContact CD2-CZ 4.37Å; F161-F168 HydrophobicContact CE2-CD2 4.19Å; F161-F168 AromaticContact CE2-CE2 3.96Å; F161-F168 HydrophobicContact CE2-CE2 3.96Å; F161-F168 HydrophobicContact CG-CD2 4.28Å; F161-F168 AromaticContact CG-CE2 3.47Å; F161-F168 HydrophobicContact CG-CE2 3.47Å; F161-F168 VanDerWaalsContact CG-CE2 3.47Å; F161-F168 HydrophobicContact CG-CZ 4.09Å; F168-G170 WeakPolarHBondContact CE1-O 3.25Å; F168-P171 HydrophobicContact CZ-CB 4.32Å; F168-Y206 HydrophobicContact CB-CE2 4.12Å; F168-Y206 HydrophobicContact CD2-CE1 4.48Å; F168-Y206 HydrophobicContact CD2-CE2 4.4Å; F168-Y206 AromaticContact CD2-CZ 3.87Å; F168-Y206 WeakPolarHBondContact CD2-OH 3.5Å; F168-Y211 HydrophobicContact CE2-CD2 4.22Å; F168-Y211 AromaticContact CE2-CE2 3.91Å; F168-Y211 HydrophobicContact CE2-CE2 3.91Å; F168-Y211 HydrophobicContact CZ-CE2 4.32Å |
| 169 | V | 96.3 | Very high | 89.9 | Confident | 12 Ų | 12 | 48.6 Ų | 48.6 | 7% | 0.073 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 111 | -176.9 | 180 | 0 | 0 | 0 | 0 | 109.5 | I129 I138 A140 F162 | I129-V169 HydrophobicContact CD1-CG1 3.97Å; I138-V169 HydrophobicContact CG2-CG1 4.19Å; A140-V169 HydrophobicContact CB-CG1 3.53Å; F162-V169 HydrophobicContact CB-CB 4.19Å; F162-V169 PolarHBondContact N-O 3.18Å; F162-V169 WeakPolarHBondContact O-CA 3.29Å; F162-V169 PolarHBondContact O-N 3.28Å; F162-V169 VanDerWaalsContact O-O 3.09Å |
| 170 | G | 88 | Confident | 89.3 | Confident | 30 Ų | 30 | 53.9 Ų | 53.9 | 31% | 0.309 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 129.7 | -149.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F168 | F168-G170 WeakPolarHBondContact CE1-O 3.25Å |
| 171 | P | 90.2 | Very high | 89.1 | Confident | 74 Ų | 74 | 55.8 Ų | 55.8 | 48% | 0.481 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -77.3 | 168.2 | -0.9 | 34.2 | -36.6 | 0 | 0 | 0 | 113 | F168 | F168-P171 HydrophobicContact CZ-CB 4.32Å |
| 172 | I | 92.7 | Very high | 89 | Confident | 11 Ų | 11 | 55.9 Ų | 55.9 | 6% | 0.056 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 100.7 | 175.9 | -58.8 | 142.7 | 0 | 0 | 0 | 108 | Y120 I129 L136 I138 S159 V160 F162 | Y120-I172 HydrophobicContact CD1-CG2 3.97Å; Y120-I172 HydrophobicContact CE1-CG2 3.7Å; I129-I172 HydrophobicContact CD1-CD1 4.48Å; I129-I172 HydrophobicContact CG2-CD1 3.83Å; L136-I172 HydrophobicContact CD1-CB 4.43Å; L136-I172 HydrophobicContact CD1-CD1 4.45Å; L136-I172 HydrophobicContact CD1-CG1 4.06Å; L136-I172 HydrophobicContact CD1-CG2 3.47Å; L136-I172 VanDerWaalsContact CD1-CG2 3.47Å; I138-I172 HydrophobicContact CD1-CD1 4.17Å; I138-I172 HydrophobicContact CD1-CG1 3.33Å; S159-I172 CarbonylContact C-O 3.51Å; S159-I172 WeakPolarHBondContact CA-O 3.01Å; S159-I172 WeakPolarHBondContact CB-O 3.45Å; V160-I172 PolarHBondContact N-O 2.94Å; V160-I172 WeakPolarHBondContact O-CA 3.24Å; V160-I172 VanDerWaalsContact O-CB 3.3Å; V160-I172 WeakPolarHBondContact O-CB 3.49Å; V160-I172 PolarHBondContact O-N 2.9Å; F162-I172 HydrophobicContact CD2-CD1 3.71Å; F162-I172 HydrophobicContact CE2-CD1 3.52Å |
| 173 | S | 87 | Confident | 88.9 | Confident | 93 Ų | 93 | 58.2 Ų | 58.2 | 65% | 0.65 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 129.5 | 173.4 | -55.6 | 0 | 0 | 0 | 0 | 110.5 | G175 | S173-G175 PolarHBondContact O-N 3.3Å |
| 174 | A | 76.3 | Confident | 88.9 | Confident | 18 Ų | 18 | 58.3 Ų | 58.3 | 15% | 0.149 | 34% | 0.337 | C | S | . | . | trans | -72.2 | -14 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y120 N158 K176 L178 | Y120-A174 VanDerWaalsContact OH-CA 3.25Å; Y120-A174 WeakPolarHBondContact OH-CA 3.31Å; Y120-A174 WeakPolarHBondContact OH-CB 3.39Å; N158-A174 WeakPolarHBondContact O-CB 3.46Å; N158-A174 PolarHBondContact O-N 2.93Å; A174-K176 WeakPolarHBondContact CB-O 3.5Å; A174-K176 PolarHBondContact O-N 3.03Å; A174-L178 HydrophobicContact CB-CD2 3.85Å; A174-L178 HydrophobicContact CB-CG 4.35Å | ||
| 175 | G | 70.1 | Confident | 88.8 | Confident | 81 Ų | 81 | 56.6 Ų | 56.6 | 84% | 0.835 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 71.2 | -33.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.6 | S173 | S173-G175 PolarHBondContact O-N 3.3Š|
| 176 | K | 75.1 | Confident | 88.6 | Confident | 161 Ų | 161 | 52.8 Ų | 52.8 | 70% | 0.7 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -115.7 | -175.6 | 167.7 | -62.5 | -168.1 | 176.4 | -167.3 | 0 | 109.8 | A174 | A174-K176 WeakPolarHBondContact CB-O 3.5Å; A174-K176 PolarHBondContact O-N 3.03Å |
| 177 | K | 80.6 | Confident | 88.4 | Confident | 184 Ų | 184 | 51.6 Ų | 51.6 | 80% | 0.8 | 30% | 0.296 | S | S | * | . | trans | -57.8 | 144.1 | 168.8 | -71.5 | -178.5 | 178.5 | 176.2 | 0 | 110.8 | N158 | N158-K177 WeakPolarHBondContact OD1-CA 3.2Š| ||
| 178 | L | 83.3 | Confident | 88.1 | Confident | 13 Ų | 13 | 46.9 Ų | 46.9 | 7% | 0.068 | 27% | 0.268 | C | S | . | . | trans | -62.5 | 146.8 | 171.8 | -74.6 | 166.3 | 0 | 0 | 0 | 111.1 | Y120 V153 N154 F155 N158 V160 A174 H180 | Y120-L178 HydrophobicContact CE2-CD2 4.18Å; V153-L178 HydrophobicContact CG1-CD1 3.66Å; N154-L178 WeakPolarHBondContact O-CD1 3.35Å; F155-L178 HydrophobicContact CD1-CD1 4.03Å; F155-L178 HydrophobicContact CE1-CD1 4.41Å; N158-L178 HydrophobicContact CB-CD1 4.47Å; N158-L178 HydrophobicContact CB-CG 4.11Å; N158-L178 PolarHBondContact OD1-N 2.95Å; V160-L178 HydrophobicContact CG2-CD2 3.93Å; A174-L178 HydrophobicContact CB-CD2 3.85Å; A174-L178 HydrophobicContact CB-CG 4.35Å; L178-H180 PolarHBondContact O-N 2.92Å | ||
| 179 | P | 77.3 | Confident | 87.5 | Confident | 29 Ų | 29 | 44 Ų | 44 | 19% | 0.188 | 26% | 0.257 | C | S | . | . | trans | -72.9 | 100.4 | -174 | 29.1 | -34.9 | 0 | 0 | 0 | 111.4 | T118 P181 V182 | T118-P179 HydrophobicContact CG2-CB 4.07Å; T118-P179 WeakPolarHBondContact O-CG 3.4Å; P179-P181 CarbonylContact O-C 3.5Å; P179-P181 VanDerWaalsContact O-C 3.28Å; P179-V182 WeakPolarHBondContact O-CG2 3.34Å; P179-V182 PolarHBondContact O-N 3.48Å | ||
| 180 | H | 81.9 | Confident | 86.7 | Confident | 113 Ų | 113 | 43.4 Ų | 43.4 | 52% | 0.523 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -91.3 | 137.2 | 179.5 | -156.9 | 74.1 | 0 | 0 | 0 | 111.7 | V78 L178 | V78-H180 WeakPolarHBondContact CG2-CE1 3.44Å; L178-H180 PolarHBondContact O-N 2.92Å |
| 181 | P | 92.5 | Very high | 86.5 | Confident | 40 Ų | 40 | 42.4 Ų | 42.4 | 26% | 0.26 | 24% | 0.242 | S | C | . | . | S | Bend | cis | -72.1 | 136.7 | -5.5 | 29.1 | -35 | 0 | 0 | 0 | 113.7 | P75 S104 P179 Y183 | P75-P181 HydrophobicContact CB-CB 3.67Å; P75-P181 HydrophobicContact CG-CB 4.31Å; S104-P181 WeakPolarHBondContact CA-O 3.42Å; P179-P181 CarbonylContact O-C 3.5Å; P179-P181 VanDerWaalsContact O-C 3.28Å; P181-Y183 HydrophobicContact CB-CE2 3.98Å; P181-Y183 HydrophobicContact CG-CE2 3.99Å |
| 182 | V | 94.2 | Very high | 86.1 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 133.9 | 174.6 | -174.1 | 0 | 0 | 0 | 0 | 109.4 | P75 I76 V102 F155 P179 | P75-V182 CarbonylContact C-O 3.58Å; P75-V182 WeakPolarHBondContact CA-O 3.25Å; P75-V182 WeakPolarHBondContact CB-O 3.49Å; I76-V182 HydrophobicContact CD1-CB 4.31Å; I76-V182 HydrophobicContact CD1-CG1 3.85Å; I76-V182 PolarHBondContact N-O 2.86Å; V102-V182 HydrophobicContact CB-CG1 3.62Å; V102-V182 HydrophobicContact CG1-CG1 3.87Å; V102-V182 HydrophobicContact CG2-CG1 4.07Å; F155-V182 HydrophobicContact CE1-CG2 3.91Å; F155-V182 HydrophobicContact CZ-CG2 4.33Å; P179-V182 WeakPolarHBondContact O-CG2 3.34Å; P179-V182 PolarHBondContact O-N 3.48Å |
| 183 | Y | 96.3 | Very high | 85.9 | Confident | 49 Ų | 49 | 41.7 Ų | 41.7 | 19% | 0.192 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 137.2 | 171.6 | -69.7 | -99.9 | 0 | 0 | 0 | 110.9 | P75 V102 C103 P181 | P75-Y183 HydrophobicContact CB-CD1 4.39Å; P75-Y183 HydrophobicContact CB-CD2 4.33Å; P75-Y183 HydrophobicContact CB-CE1 4.01Å; P75-Y183 HydrophobicContact CB-CE2 3.92Å; P75-Y183 HydrophobicContact CG-CE1 4.44Å; V102-Y183 VanDerWaalsContact CA-O 3.25Å; V102-Y183 WeakPolarHBondContact CA-O 3.43Å; V102-Y183 WeakPolarHBondContact CB-O 3.45Å; C103-Y183 PolarHBondContact N-O 3.38Å; C103-Y183 PolarHBondContact O-N 2.79Å; P181-Y183 HydrophobicContact CB-CE2 3.98Å; P181-Y183 HydrophobicContact CG-CE2 3.99Å |
| 184 | P | 97.2 | Very high | 86.1 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 137.7 | 159.7 | -20.6 | 33.8 | 0 | 0 | 0 | 110.4 | P33 K71 A72 I76 Y83 F85 F199 | P33-P184 HydrophobicContact CB-CG 4.11Å; P33-P184 HydrophobicContact CG-CG 3.92Å; K71-P184 WeakPolarHBondContact CA-O 3.5Å; A72-P184 HydrophobicContact CB-CB 4.13Å; A72-P184 HydrophobicContact CB-CG 4.04Å; A72-P184 PolarHBondContact N-O 3.22Å; I76-P184 HydrophobicContact CD1-CG 4.29Å; I76-P184 HydrophobicContact CG1-CG 4.09Å; Y83-P184 HydrophobicContact CE1-CG 4.25Å; F85-P184 HydrophobicContact CD1-CB 4.03Å; F85-P184 HydrophobicContact CD1-CG 4.29Å; F85-P184 HydrophobicContact CD2-CB 4.3Å; F85-P184 HydrophobicContact CE1-CB 3.67Å; F85-P184 HydrophobicContact CE1-CG 4.25Å; F85-P184 HydrophobicContact CE2-CB 3.96Å; F85-P184 HydrophobicContact CG-CB 4.34Å; F85-P184 HydrophobicContact CZ-CB 3.64Å; P184-F199 HydrophobicContact CB-CE1 3.89Å; P184-F199 HydrophobicContact CG-CE1 4.09Å |
| 185 | C | 95.6 | Very high | 87 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 153.2 | 176.4 | 69.1 | 0 | 0 | 0 | 0 | 114.4 | V69 I70 K71 L100 G101 C103 | V69-C185 HydrophobicContact CG1-CB 3.75Å; I70-C185 VanDerWaalsContact O-CA 3.24Å; I70-C185 WeakPolarHBondContact O-CA 3.3Å; I70-C185 WeakPolarHBondContact O-CB 3.47Å; K71-C185 HydrophobicContact CG-CB 4.29Å; L100-C185 WeakPolarHBondContact CA-O 3.33Å; G101-C185 PolarHBondContact N-O 3.34Å; G101-C185 PolarHBondContact O-N 3.42Å; C103-C185 VanDerWaalsContact SG-SG 3.63Å |
| 186 | I | 94.9 | Very high | 88.2 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 136.2 | -179.9 | -56 | 168.7 | 0 | 0 | 0 | 107.9 | L36 V69 I70 I87 A99 L100 F188 V195 V197 | L36-I186 HydrophobicContact CD1-CD1 4.24Å; L36-I186 HydrophobicContact CD2-CD1 4.32Å; V69-I186 WeakPolarHBondContact CA-O 3.45Å; I70-I186 PolarHBondContact N-O 3.22Å; I70-I186 PolarHBondContact O-N 2.86Å; I87-I186 HydrophobicContact CG2-CD1 3.55Å; I87-I186 HydrophobicContact CG2-CG1 4.1Å; A99-I186 WeakPolarHBondContact O-CA 3.44Å; L100-I186 HydrophobicContact CB-CG1 4.42Å; I186-F188 HydrophobicContact CB-CE2 4.41Å; I186-F188 HydrophobicContact CG2-CD2 4.27Å; I186-F188 HydrophobicContact CG2-CE2 3.7Å; I186-F188 HydrophobicContact CG2-CZ 4.15Å; I186-V195 HydrophobicContact CD1-CG1 4.31Å; I186-V197 HydrophobicContact CD1-CG2 3.34Å |
| 187 | A | 92.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 134.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112 | V68 V69 L98 A99 W112 P113 | V68-A187 WeakPolarHBondContact O-CA 3.27Å; V69-A187 HydrophobicContact CG2-CB 4.09Å; L98-A187 WeakPolarHBondContact CA-O 3.4Å; A99-A187 HydrophobicContact CB-CB 4.45Å; A99-A187 PolarHBondContact N-O 3.4Å; A99-A187 VanDerWaalsContact N-O 3.07Å; A99-A187 PolarHBondContact O-N 3.05Å; W112-A187 HydrophobicContact CE3-CB 3.61Å; W112-A187 HydrophobicContact CZ3-CB 3.72Å; P113-A187 HydrophobicContact CG-CB 3.86Å |
| 188 | F | 90.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 132.7 | 178.5 | -63.9 | -103.7 | 0 | 0 | 0 | 110.7 | V45 A54 D56 R58 P67 V68 L98 I186 C193 V195 | V45-F188 HydrophobicContact CG1-CD2 3.85Å; V45-F188 HydrophobicContact CG1-CE2 4.05Å; V45-F188 HydrophobicContact CG1-CG 4.18Å; V45-F188 HydrophobicContact CG2-CB 4.5Å; A54-F188 HydrophobicContact CB-CE2 3.86Å; A54-F188 HydrophobicContact CB-CZ 3.63Å; D56-F188 HydrophobicContact CB-CB 4.16Å; D56-F188 HydrophobicContact CB-CD1 3.82Å; D56-F188 HydrophobicContact CB-CG 4.25Å; R58-F188 PolarHBondContact NH2-O 2.82Å; P67-F188 CarbonylContact C-O 3.59Å; P67-F188 WeakPolarHBondContact CA-O 3.31Å; V68-F188 PolarHBondContact N-O 3.18Å; V68-F188 PolarHBondContact O-N 2.85Å; L98-F188 HydrophobicContact CD2-CB 4.5Å; L98-F188 HydrophobicContact CD2-CD1 3.52Å; L98-F188 HydrophobicContact CD2-CE1 3.95Å; L98-F188 HydrophobicContact CD2-CG 4.08Å; I186-F188 HydrophobicContact CB-CE2 4.41Å; I186-F188 HydrophobicContact CG2-CD2 4.27Å; I186-F188 HydrophobicContact CG2-CE2 3.7Å; I186-F188 HydrophobicContact CG2-CZ 4.15Å; F188-C193 HydrophobicContact CD1-CB 4.03Å; F188-C193 HydrophobicContact CE1-CB 4.24Å; F188-V195 HydrophobicContact CE1-CB 4.24Å; F188-V195 HydrophobicContact CE1-CG2 3.81Å; F188-V195 HydrophobicContact CZ-CB 3.95Å; F188-V195 HydrophobicContact CZ-CG2 3.95Å |
| 189 | A | 86.5 | Confident | 90.9 | Very high | 11 Ų | 11 | 19.9 Ų | 19.9 | 9% | 0.091 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 61.2 | 154.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | V65 L97 W112 | V65-A189 HydrophobicContact CB-CB 4.4Å; V65-A189 HydrophobicContact CG1-CB 4.07Å; V65-A189 WeakPolarHBondContact O-CB 3.46Å; L97-A189 HydrophobicContact CB-CB 4.3Å; L97-A189 PolarHBondContact N-O 3.1Å; L97-A189 CarbonylContact O-C 3.54Å; L97-A189 PolarHBondContact O-N 2.94Å; W112-A189 HydrophobicContact CH2-CB 3.51Å; W112-A189 HydrophobicContact CZ2-CB 3.52Å |
| 190 | C | 79.1 | Confident | 91.8 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | trans | -152.4 | 86.4 | -168.2 | 174.6 | 0 | 0 | 0 | 0 | 110.3 | D56 S93 G96 L98 N192 C193 | D56-C190 WeakPolarHBondContact CB-O 3.29Å; D56-C190 PolarHBondContact OD2-N 3.5Å; S93-C190 VanDerWaalsContact CB-SG 3.55Å; G96-C190 WeakPolarHBondContact CA-SG 3.42Å; L98-C190 HydrophobicContact CD2-CB 4.4Å; C190-N192 PolarHBondContact O-N 2.97Å; C190-C193 HydrophobicContact CB-CB 3.57Å; C190-C193 WeakPolarHBondContact CB-SG 3.3Å; C190-C193 WeakPolarHBondContact O-CB 3.08Å; C190-C193 PolarHBondContact O-N 3.28Å; C190-C193 WeakPolarHBondContact SG-CB 3.4Å; C190-C193 CovalentContact SG-SG 2.02Å; C190-C193 PolarHBondContact SG-SG 2.93Å | ||
| 191 | P | 82.5 | Confident | 92.5 | Very high | 9 Ų | 9 | 13.8 Ų | 13.8 | 6% | 0.058 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -39.1 | 123.6 | 165.5 | -36.4 | 40.8 | 0 | 0 | 0 | 112.7 | R58 S59 H60 C193 | R58-P191 HydrophobicContact CB-CG 4.14Å; R58-P191 WeakPolarHBondContact O-CA 3.38Å; R58-P191 VanDerWaalsContact O-CB 3.27Å; R58-P191 WeakPolarHBondContact O-CB 3.43Å; S59-P191 WeakPolarHBondContact O-CG 3.09Å; H60-P191 PolarHBondContact CE1-O 3.48Å; P191-C193 VanDerWaalsContact C-N 3.32Å; P191-C193 PolarHBondContact O-N 3.31Å |
| 192 | N | 83.3 | Confident | 92.6 | Very high | 70 Ų | 70 | 17 Ų | 17 | 37% | 0.374 | 9% | 0.087 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 25.5 | -177 | -54.7 | -56.1 | 0 | 0 | 0 | 116.1 | D56 H60 C190 H194 | D56-N192 WeakPolarHBondContact O-CA 3.46Å; D56-N192 PolarHBondContact O-N 2.9Å; H60-N192 PolarHBondContact NE2-ND2 3.12Å; C190-N192 PolarHBondContact O-N 2.97Å; N192-H194 PolarHBondContact O-CD2 3.36Å |
| 193 | C | 88.1 | Confident | 92.7 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -74.3 | 139.3 | 161.2 | -91.1 | 0 | 0 | 0 | 0 | 111.2 | V55 D56 V91 L98 F188 C190 P191 | V55-C193 WeakPolarHBondContact CA-O 3.39Å; D56-C193 PolarHBondContact N-O 3.08Å; V91-C193 WeakPolarHBondContact O-CA 3.16Å; L98-C193 HydrophobicContact CD2-CB 4Å; F188-C193 HydrophobicContact CD1-CB 4.03Å; F188-C193 HydrophobicContact CE1-CB 4.24Å; C190-C193 HydrophobicContact CB-CB 3.57Å; C190-C193 WeakPolarHBondContact CB-SG 3.3Å; C190-C193 WeakPolarHBondContact O-CB 3.08Å; C190-C193 PolarHBondContact O-N 3.28Å; C190-C193 WeakPolarHBondContact SG-CB 3.4Å; C190-C193 CovalentContact SG-SG 2.02Å; C190-C193 PolarHBondContact SG-SG 2.93Å; P191-C193 VanDerWaalsContact C-N 3.32Å; P191-C193 PolarHBondContact O-N 3.31Å | ||
| 194 | H | 91.7 | Very high | 92.8 | Very high | 44 Ų | 44 | 24.5 Ų | 24.5 | 20% | 0.204 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 130.2 | 174.5 | -68.9 | -138.1 | 0 | 0 | 0 | 109.7 | V55 N90 V91 N192 | V55-H194 WeakPolarHBondContact CG1-NE2 3.39Å; V55-H194 HydrophobicContact CG2-CB 4.47Å; N90-H194 HydrophobicContact CB-CB 4.04Å; N90-H194 PolarHBondContact N-O 3.33Å; V91-H194 HydrophobicContact CB-CB 3.91Å; V91-H194 HydrophobicContact CG2-CB 4.04Å; V91-H194 PolarHBondContact N-O 3.22Å; V91-H194 PolarHBondContact O-N 2.82Å; N192-H194 PolarHBondContact O-CD2 3.36Å |
| 195 | V | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 131.6 | 177.9 | 179.2 | 0 | 0 | 0 | 0 | 109.6 | T53 A54 I87 T88 L98 I186 F188 | T53-V195 CarbonylContact C-O 3.54Å; T53-V195 WeakPolarHBondContact CA-O 3.49Å; A54-V195 PolarHBondContact N-O 3.45Å; A54-V195 PolarHBondContact O-N 3.37Å; I87-V195 HydrophobicContact CB-CG1 3.67Å; I87-V195 HydrophobicContact CD1-CG1 3.96Å; I87-V195 HydrophobicContact CG1-CG1 4.19Å; I87-V195 HydrophobicContact CG2-CG1 4.22Å; T88-V195 WeakPolarHBondContact O-CA 3.31Å; L98-V195 HydrophobicContact CD1-CG2 3.95Å; L98-V195 HydrophobicContact CD2-CG2 4.34Å; I186-V195 HydrophobicContact CD1-CG1 4.31Å; F188-V195 HydrophobicContact CE1-CB 4.24Å; F188-V195 HydrophobicContact CE1-CG2 3.81Å; F188-V195 HydrophobicContact CZ-CB 3.95Å; F188-V195 HydrophobicContact CZ-CG2 3.95Å |
| 196 | S | 95.9 | Very high | 93 | Very high | 28 Ų | 28 | 28 Ų | 28 | 20% | 0.196 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 144.2 | 171.5 | -64.2 | 0 | 0 | 0 | 0 | 111.2 | R52 T53 I87 T88 N90 | R52-S196 CarbonylContact O-C 3.42Å; R52-S196 WeakPolarHBondContact O-CA 3.33Å; T53-S196 PolarHBondContact OG1-OG 3.25Å; I87-S196 CarbonylContact C-O 3.58Å; I87-S196 VanDerWaalsContact CA-O 3.3Å; I87-S196 WeakPolarHBondContact CA-O 3.32Å; T88-S196 PolarHBondContact N-O 3.42Å; T88-S196 PolarHBondContact O-N 3.04Å; N90-S196 PolarHBondContact ND2-N 3.01Å; N90-S196 PolarHBondContact ND2-OG 3.34Å |
| 197 | V | 97.8 | Very high | 93.1 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 2% | 0.024 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 140.3 | -178.2 | -164.8 | 0 | 0 | 0 | 0 | 112.1 | L36 R52 F85 E86 I87 I186 F199 | L36-V197 HydrophobicContact CD1-CG2 3.69Å; L36-V197 HydrophobicContact CD2-CG2 4.29Å; L36-V197 HydrophobicContact CG-CG2 4.07Å; R52-V197 WeakPolarHBondContact O-CG2 3.46Å; R52-V197 PolarHBondContact O-N 3.04Å; F85-V197 HydrophobicContact CD2-CG1 4.04Å; E86-V197 WeakPolarHBondContact O-CA 3.31Å; E86-V197 WeakPolarHBondContact O-CG1 3.45Å; I87-V197 HydrophobicContact CG2-CG1 4.32Å; I87-V197 HydrophobicContact CG2-CG2 4.17Å; I186-V197 HydrophobicContact CD1-CG2 3.34Å; V197-F199 HydrophobicContact CB-CD2 4.41Å; V197-F199 HydrophobicContact CB-CE2 3.99Å; V197-F199 HydrophobicContact CB-CZ 4.22Å; V197-F199 HydrophobicContact CG1-CD1 3.99Å; V197-F199 HydrophobicContact CG1-CD2 3.95Å; V197-F199 HydrophobicContact CG1-CE1 3.7Å; V197-F199 HydrophobicContact CG1-CE2 3.66Å; V197-F199 HydrophobicContact CG1-CG 4.13Å; V197-F199 HydrophobicContact CG1-CZ 3.55Å |
| 198 | N | 98 | Very high | 93.4 | Very high | 16 Ų | 16 | 32.8 Ų | 32.8 | 9% | 0.086 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 111.4 | 166.6 | -179 | 20.9 | 0 | 0 | 0 | 109.3 | F85 E86 G200 H201 H202 F204 | F85-N198 WeakPolarHBondContact CA-O 3.43Å; E86-N198 PolarHBondContact N-O 2.75Å; E86-N198 PolarHBondContact O-N 2.98Å; N198-G200 PolarHBondContact OD1-N 3.21Å; N198-H201 PolarHBondContact OD1-N 3.42Å; N198-H202 PolarHBondContact ND2-O 3.22Å; N198-H202 PolarHBondContact OD1-N 2.93Å; N198-H202 PolarHBondContact OD1-O 2.7Å; N198-F204 WeakPolarHBondContact ND2-CD1 3.44Å |
| 199 | F | 97.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -96.6 | 4.3 | 174.4 | -63.3 | -71.9 | 0 | 0 | 0 | 113 | L13 P33 T34 L36 A72 Y83 F85 P184 V197 H201 | L13-F199 HydrophobicContact CD2-CB 3.95Å; P33-F199 HydrophobicContact CB-CD1 3.88Å; P33-F199 HydrophobicContact CB-CE1 4.08Å; P33-F199 HydrophobicContact CB-CG 4.36Å; P33-F199 WeakPolarHBondContact O-CB 3.3Å; T34-F199 WeakPolarHBondContact O-CD2 3.39Å; L36-F199 HydrophobicContact CD2-CZ 4.02Å; L36-F199 HydrophobicContact CG-CZ 4.45Å; A72-F199 HydrophobicContact CB-CE1 4.12Å; A72-F199 HydrophobicContact CB-CZ 3.96Å; Y83-F199 WeakPolarHBondContact OH-CD1 3.29Å; Y83-F199 PolarHBondContact OH-O 3.1Å; F85-F199 HydrophobicContact CB-CD1 3.87Å; F85-F199 HydrophobicContact CB-CE1 4.45Å; F85-F199 HydrophobicContact CD2-CD1 4.46Å; F85-F199 HydrophobicContact CD2-CE1 4.23Å; F85-F199 HydrophobicContact CG-CD1 4.32Å; F85-F199 HydrophobicContact CG-CE1 4.43Å; P184-F199 HydrophobicContact CB-CE1 3.89Å; P184-F199 HydrophobicContact CG-CE1 4.09Å; V197-F199 HydrophobicContact CB-CD2 4.41Å; V197-F199 HydrophobicContact CB-CE2 3.99Å; V197-F199 HydrophobicContact CB-CZ 4.22Å; V197-F199 HydrophobicContact CG1-CD1 3.99Å; V197-F199 HydrophobicContact CG1-CD2 3.95Å; V197-F199 HydrophobicContact CG1-CE1 3.7Å; V197-F199 HydrophobicContact CG1-CE2 3.66Å; V197-F199 HydrophobicContact CG1-CG 4.13Å; V197-F199 HydrophobicContact CG1-CZ 3.55Å; F199-H201 PolarHBondContact N-ND1 3.32Å |
| 200 | G | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | S | Bend | trans | 124.1 | 8.5 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114 | N14 N198 H202 | N14-G200 WeakPolarHBondContact CB-O 3.36Å; N14-G200 PolarHBondContact N-O 2.78Å; N198-G200 PolarHBondContact OD1-N 3.21Å; G200-H202 VanDerWaalsContact C-N 3.31Å |
| 201 | H | 96 | Very high | 95 | Very high | 14 Ų | 14 | 39.2 Ų | 39.2 | 7% | 0.065 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -68 | -32.1 | 171.6 | -56.5 | 83.6 | 0 | 0 | 0 | 112.3 | C11 Q12 L13 T34 R52 N198 F199 | C11-H201 PolarHBondContact O-NE2 3.4Å; Q12-H201 PolarHBondContact O-CD2 3.35Å; Q12-H201 VanDerWaalsContact O-CD2 3.27Å; L13-H201 WeakPolarHBondContact CD2-CE1 3.46Å; T34-H201 PolarHBondContact O-CE1 2.6Å; T34-H201 PolarHBondContact O-NE2 2.57Å; R52-H201 WeakPolarHBondContact CD-CE1 3.49Å; R52-H201 WeakPolarHBondContact CD-ND1 3.29Å; N198-H201 PolarHBondContact OD1-N 3.42Å; F199-H201 PolarHBondContact N-ND1 3.32Å |
| 202 | H | 95.4 | Very high | 95.6 | Very high | 108 Ų | 108 | 40.2 Ų | 40.2 | 50% | 0.5 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -135.5 | 164.1 | -175.8 | -50.6 | -42.4 | 0 | 0 | 0 | 110.1 | R52 N198 G200 F204 | R52-H202 PolarHBondContact NH1-NE2 3.26Å; R52-H202 VanDerWaalsContact NH1-NE2 3.1Å; N198-H202 PolarHBondContact ND2-O 3.22Å; N198-H202 PolarHBondContact OD1-N 2.93Å; N198-H202 PolarHBondContact OD1-O 2.7Å; G200-H202 VanDerWaalsContact C-N 3.31Å; H202-F204 PolarHBondContact O-N 3.19Å |
| 203 | K | 96.7 | Very high | 96 | Very high | 177 Ų | 177 | 39.7 Ų | 39.7 | 77% | 0.77 | 21% | 0.214 | S | C | * | . | trans | -63.2 | 137.4 | 174.3 | -67.8 | -175.7 | 178.3 | -178.7 | 0 | 110.3 | I17 | I17-K203 HydrophobicContact CD1-CG 4.02Š| ||
| 204 | F | 98.5 | Very high | 96.3 | Very high | 30 Ų | 30 | 45.3 Ų | 45.3 | 13% | 0.132 | 24% | 0.235 | C | C | . | . | trans | -75.5 | 152.7 | 178.2 | -63.2 | -71.2 | 0 | 0 | 0 | 112.1 | I17 L21 Y84 E86 N198 H202 Y206 I208 | I17-F204 HydrophobicContact CG2-CE2 4.19Å; L21-F204 HydrophobicContact CD1-CD2 4.22Å; L21-F204 HydrophobicContact CD1-CE2 3.77Å; Y84-F204 HydrophobicContact CD1-CB 4.43Å; Y84-F204 AromaticContact CD1-CD1 3.72Å; Y84-F204 HydrophobicContact CD1-CD1 3.72Å; Y84-F204 HydrophobicContact CD1-CD2 4.18Å; Y84-F204 AromaticContact CD1-CE1 3.93Å; Y84-F204 HydrophobicContact CD1-CE1 3.93Å; Y84-F204 HydrophobicContact CD1-CE2 4.36Å; Y84-F204 AromaticContact CD1-CG 3.85Å; Y84-F204 HydrophobicContact CD1-CG 3.85Å; Y84-F204 HydrophobicContact CD1-CZ 4.23Å; Y84-F204 HydrophobicContact CE1-CB 3.97Å; Y84-F204 AromaticContact CE1-CD1 3.66Å; Y84-F204 HydrophobicContact CE1-CD1 3.66Å; Y84-F204 HydrophobicContact CE1-CE1 4.27Å; Y84-F204 AromaticContact CE1-CG 3.81Å; Y84-F204 HydrophobicContact CE1-CG 3.81Å; E86-F204 HydrophobicContact CB-CD1 4.2Å; E86-F204 HydrophobicContact CG-CD1 3.94Å; E86-F204 VanDerWaalsContact OE2-CA 3.26Å; E86-F204 WeakPolarHBondContact OE2-CA 3.39Å; N198-F204 WeakPolarHBondContact ND2-CD1 3.44Å; H202-F204 PolarHBondContact O-N 3.19Å; F204-Y206 WeakPolarHBondContact CB-O 3.32Å; F204-I208 HydrophobicContact CB-CG2 4.44Å; F204-I208 HydrophobicContact CD2-CG2 3.56Å; F204-I208 HydrophobicContact CE2-CG2 4.14Å; F204-I208 HydrophobicContact CG-CG2 4.24Å | ||
| 205 | A | 98.4 | Very high | 96.2 | Very high | 48 Ų | 48 | 45.5 Ų | 45.5 | 40% | 0.397 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -72.6 | -33.1 | 171 | 0 | 0 | 0 | 0 | 0 | 111.8 | E86 I148 | E86-A205 PolarHBondContact OE1-N 3.42Å; E86-A205 PolarHBondContact OE2-N 3.26Å; I148-A205 HydrophobicContact CB-CB 4.45Å; I148-A205 HydrophobicContact CD1-CB 4.04Å; I148-A205 HydrophobicContact CG2-CB 4Å |
| 206 | Y | 98.5 | Very high | 95.9 | Very high | 27 Ų | 27 | 53 Ų | 53 | 11% | 0.106 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -82.9 | 140.6 | 168.8 | -175.5 | -123.8 | 0 | 0 | 0 | 112.2 | Y84 E86 F161 T163 G166 F168 F204 I208 Y211 | Y84-Y206 HydrophobicContact CE1-CD1 4.38Å; Y84-Y206 HydrophobicContact CE2-CD1 4.07Å; Y84-Y206 AromaticContact CZ-CD1 3.94Å; Y84-Y206 WeakPolarHBondContact OH-CB 3.37Å; E86-Y206 PolarHBondContact OE1-N 3.01Å; F161-Y206 HydrophobicContact CE2-CD1 4.43Å; F161-Y206 AromaticContact CE2-CE1 3.99Å; F161-Y206 HydrophobicContact CE2-CE1 3.99Å; F161-Y206 HydrophobicContact CZ-CE1 4.45Å; T163-Y206 HydrophobicContact CG2-CD1 3.95Å; T163-Y206 HydrophobicContact CG2-CD2 3.99Å; T163-Y206 HydrophobicContact CG2-CE1 4.4Å; T163-Y206 HydrophobicContact CG2-CE2 4.43Å; T163-Y206 HydrophobicContact CG2-CG 3.73Å; G166-Y206 WeakPolarHBondContact O-CD2 3.39Å; F168-Y206 HydrophobicContact CB-CE2 4.12Å; F168-Y206 HydrophobicContact CD2-CE1 4.48Å; F168-Y206 HydrophobicContact CD2-CE2 4.4Å; F168-Y206 AromaticContact CD2-CZ 3.87Å; F168-Y206 WeakPolarHBondContact CD2-OH 3.5Å; F204-Y206 WeakPolarHBondContact CB-O 3.32Å; Y206-I208 HydrophobicContact CD1-CB 4.09Å; Y206-I208 HydrophobicContact CD1-CD1 4.48Å; Y206-I208 HydrophobicContact CE1-CD1 4.39Å; Y206-I208 PolarHBondContact O-N 2.95Å; Y206-Y211 HydrophobicContact CE1-CG 4.32Å |
| 207 | N | 97 | Very high | 95.6 | Very high | 97 Ų | 97 | 54 Ų | 54 | 52% | 0.519 | 27% | 0.274 | S | S | . | . | trans | -77 | 68.4 | 171.5 | -168.8 | -6.8 | 0 | 0 | 0 | 111.4 | G209 Q210 Y211 | N207-G209 PolarHBondContact O-N 2.99Å; N207-Q210 HydrophobicContact CB-CB 4.34Å; N207-Q210 WeakPolarHBondContact ND2-CB 3.18Å; N207-Q210 PolarHBondContact ND2-OE1 3.38Å; N207-Q210 PolarHBondContact O-N 2.94Å; N207-Q210 WeakPolarHBondContact OD1-CB 3.38Å; N207-Q210 PolarHBondContact OD1-N 3.4Å; N207-Q210 VanDerWaalsContact OD1-N 3.11Å; N207-Y211 PolarHBondContact O-N 3.46Å | ||
| 208 | I | 98 | Very high | 95.2 | Very high | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.7 | -34.7 | 177.7 | -178.7 | 64 | 0 | 0 | 0 | 112.1 | L21 V82 Y84 F161 F204 Y206 Q210 Y211 I212 | L21-I208 HydrophobicContact CD1-CG2 3.74Å; L21-I208 HydrophobicContact CD2-CG2 4.01Å; V82-I208 HydrophobicContact CG1-CD1 4.24Å; Y84-I208 HydrophobicContact CD1-CB 3.89Å; Y84-I208 HydrophobicContact CD1-CD1 4.43Å; Y84-I208 HydrophobicContact CD1-CG1 4.1Å; Y84-I208 HydrophobicContact CD1-CG2 4.11Å; Y84-I208 HydrophobicContact CD2-CD1 4.17Å; Y84-I208 HydrophobicContact CE1-CB 4.42Å; Y84-I208 HydrophobicContact CG-CB 4.17Å; Y84-I208 HydrophobicContact CG-CD1 3.82Å; Y84-I208 HydrophobicContact CG-CG1 3.92Å; F161-I208 HydrophobicContact CZ-CD1 4Å; F204-I208 HydrophobicContact CB-CG2 4.44Å; F204-I208 HydrophobicContact CD2-CG2 3.56Å; F204-I208 HydrophobicContact CE2-CG2 4.14Å; F204-I208 HydrophobicContact CG-CG2 4.24Å; Y206-I208 HydrophobicContact CD1-CB 4.09Å; Y206-I208 HydrophobicContact CD1-CD1 4.48Å; Y206-I208 HydrophobicContact CE1-CD1 4.39Å; Y206-I208 PolarHBondContact O-N 2.95Å; I208-Q210 VanDerWaalsContact C-N 3.33Å; I208-Q210 PolarHBondContact O-N 3.21Å; I208-Y211 HydrophobicContact CD1-CD1 4.02Å; I208-Y211 HydrophobicContact CD1-CG 4.5Å; I208-Y211 WeakPolarHBondContact O-CA 3.13Å; I208-Y211 WeakPolarHBondContact O-CB 3.37Å; I208-Y211 PolarHBondContact O-N 3.37Å; I208-I212 HydrophobicContact CD1-CD1 4.32Å; I208-I212 HydrophobicContact CD1-CG1 4.09Å; I208-I212 HydrophobicContact CG1-CD1 3.95Å; I208-I212 HydrophobicContact CG1-CG1 4.12Å; I208-I212 WeakPolarHBondContact O-CG1 3.34Å; I208-I212 PolarHBondContact O-N 2.9Å |
| 209 | G | 96 | Very high | 94.5 | Very high | 26 Ų | 26 | 59.2 Ų | 59.2 | 27% | 0.268 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.1 | -43.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N207 Y211 I212 A213 | N207-G209 PolarHBondContact O-N 2.99Å; G209-Y211 VanDerWaalsContact C-N 3.33Å; G209-Y211 PolarHBondContact O-N 3.47Å; G209-I212 PolarHBondContact O-N 3.2Å; G209-A213 VanDerWaalsContact O-CB 3.32Å; G209-A213 WeakPolarHBondContact O-CB 3.39Å; G209-A213 PolarHBondContact O-N 3.16Å |
| 210 | Q | 96.1 | Very high | 93.8 | Very high | 110 Ų | 110 | 61.7 Ų | 61.7 | 51% | 0.514 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.8 | -29.7 | 174.7 | -168.6 | -175.5 | 22.7 | 0 | 0 | 112.9 | N207 I208 R214 | N207-Q210 HydrophobicContact CB-CB 4.34Å; N207-Q210 WeakPolarHBondContact ND2-CB 3.18Å; N207-Q210 PolarHBondContact ND2-OE1 3.38Å; N207-Q210 PolarHBondContact O-N 2.94Å; N207-Q210 WeakPolarHBondContact OD1-CB 3.38Å; N207-Q210 PolarHBondContact OD1-N 3.4Å; N207-Q210 VanDerWaalsContact OD1-N 3.11Å; I208-Q210 VanDerWaalsContact C-N 3.33Å; I208-Q210 PolarHBondContact O-N 3.21Å; Q210-R214 WeakPolarHBondContact O-CB 3.34Å; Q210-R214 PolarHBondContact O-N 2.95Å; Q210-R214 VanDerWaalsContact O-N 3.17Å |
| 211 | Y | 96.4 | Very high | 93.4 | Very high | 10 Ų | 10 | 64.5 Ų | 64.5 | 4% | 0.039 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.7 | -50.6 | 172.1 | 178.2 | -88.4 | 0 | 0 | 0 | 111.4 | V82 N154 F161 F168 Y206 N207 I208 G209 A213 R214 E215 | V82-Y211 HydrophobicContact CG1-CD1 4.05Å; V82-Y211 HydrophobicContact CG1-CE1 3.8Å; V82-Y211 HydrophobicContact CG2-CE1 4.22Å; N154-Y211 PolarHBondContact ND2-OH 3.08Å; F161-Y211 HydrophobicContact CD1-CE1 4.4Å; F161-Y211 HydrophobicContact CE1-CD1 4.1Å; F161-Y211 AromaticContact CE1-CE1 3.5Å; F161-Y211 HydrophobicContact CE1-CE1 3.5Å; F161-Y211 VanDerWaalsContact CE1-CE1 3.5Å; F161-Y211 HydrophobicContact CE1-CE2 4.31Å; F161-Y211 AromaticContact CE1-CZ 3.64Å; F161-Y211 AromaticContact CZ-CD1 3.98Å; F161-Y211 HydrophobicContact CZ-CD1 3.98Å; F161-Y211 AromaticContact CZ-CE1 3.87Å; F161-Y211 HydrophobicContact CZ-CE1 3.87Å; F161-Y211 HydrophobicContact CZ-CG 4.39Å; F168-Y211 HydrophobicContact CE2-CD2 4.22Å; F168-Y211 AromaticContact CE2-CE2 3.91Å; F168-Y211 HydrophobicContact CE2-CE2 3.91Å; F168-Y211 HydrophobicContact CZ-CE2 4.32Å; Y206-Y211 HydrophobicContact CE1-CG 4.32Å; N207-Y211 PolarHBondContact O-N 3.46Å; I208-Y211 HydrophobicContact CD1-CD1 4.02Å; I208-Y211 HydrophobicContact CD1-CG 4.5Å; I208-Y211 WeakPolarHBondContact O-CA 3.13Å; I208-Y211 WeakPolarHBondContact O-CB 3.37Å; I208-Y211 PolarHBondContact O-N 3.37Å; G209-Y211 VanDerWaalsContact C-N 3.33Å; G209-Y211 PolarHBondContact O-N 3.47Å; Y211-A213 VanDerWaalsContact C-N 3.34Å; Y211-A213 PolarHBondContact O-N 3.4Å; Y211-R214 WeakPolarHBondContact O-CB 3.34Å; Y211-R214 PolarHBondContact O-N 3.44Å; Y211-R214 VanDerWaalsContact O-N 3.12Å; Y211-E215 HydrophobicContact CD1-CG 4.08Å; Y211-E215 HydrophobicContact CE1-CG 3.55Å; Y211-E215 HydrophobicContact CE2-CG 4.21Å; Y211-E215 PolarHBondContact O-N 2.83Å |
| 212 | I | 95.3 | Very high | 92.9 | Very high | 31 Ų | 31 | 66.1 Ų | 66.1 | 16% | 0.159 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.3 | -43.1 | 178.2 | -63.8 | -176.4 | 0 | 0 | 0 | 111 | L21 Y22 V82 I208 G209 R214 E215 R216 | L21-I212 HydrophobicContact CB-CD1 4.25Å; L21-I212 HydrophobicContact CD2-CD1 4.21Å; Y22-I212 HydrophobicContact CD1-CD1 4.49Å; Y22-I212 HydrophobicContact CE1-CD1 4.05Å; V82-I212 HydrophobicContact CB-CD1 4.21Å; V82-I212 HydrophobicContact CB-CG1 3.96Å; V82-I212 HydrophobicContact CG1-CD1 4.4Å; V82-I212 HydrophobicContact CG1-CG1 4.05Å; I208-I212 HydrophobicContact CD1-CD1 4.32Å; I208-I212 HydrophobicContact CD1-CG1 4.09Å; I208-I212 HydrophobicContact CG1-CD1 3.95Å; I208-I212 HydrophobicContact CG1-CG1 4.12Å; I208-I212 WeakPolarHBondContact O-CG1 3.34Å; I208-I212 PolarHBondContact O-N 2.9Å; G209-I212 PolarHBondContact O-N 3.2Å; I212-R214 VanDerWaalsContact C-N 3.32Å; I212-R214 PolarHBondContact O-N 3.29Å; I212-E215 PolarHBondContact O-N 3.02Å; I212-R216 VanDerWaalsContact O-CB 3.26Å; I212-R216 WeakPolarHBondContact O-CB 3.21Å; I212-R216 PolarHBondContact O-N 2.9Å |
| 213 | A | 91.6 | Very high | 92.3 | Very high | 59 Ų | 59 | 63.4 Ų | 63.4 | 49% | 0.488 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.9 | -39.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G209 Y211 A217 | G209-A213 VanDerWaalsContact O-CB 3.32Å; G209-A213 WeakPolarHBondContact O-CB 3.39Å; G209-A213 PolarHBondContact O-N 3.16Å; Y211-A213 VanDerWaalsContact C-N 3.34Å; Y211-A213 PolarHBondContact O-N 3.4Å; A213-A217 WeakPolarHBondContact O-CB 3.5Å; A213-A217 PolarHBondContact O-N 3.02Å |
| 214 | R | 94.3 | Very high | 91.6 | Very high | 117 Ų | 117 | 58.3 Ų | 58.3 | 44% | 0.442 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68 | -48.8 | 177.3 | -170 | -171.2 | -57.2 | 100.9 | 2 | 112.1 | Q210 Y211 I212 R216 A217 V218 | Q210-R214 WeakPolarHBondContact O-CB 3.34Å; Q210-R214 PolarHBondContact O-N 2.95Å; Q210-R214 VanDerWaalsContact O-N 3.17Å; Y211-R214 WeakPolarHBondContact O-CB 3.34Å; Y211-R214 PolarHBondContact O-N 3.44Å; Y211-R214 VanDerWaalsContact O-N 3.12Å; I212-R214 VanDerWaalsContact C-N 3.32Å; I212-R214 PolarHBondContact O-N 3.29Å; R214-R216 VanDerWaalsContact C-N 3.31Å; R214-R216 PolarHBondContact O-N 2.7Å; R214-A217 PolarHBondContact O-N 2.89Å; R214-V218 WeakPolarHBondContact O-CG2 3.41Å; R214-V218 PolarHBondContact O-N 3.26Å |
| 215 | E | 91.2 | Very high | 91 | Very high | 49 Ų | 49 | 62.1 Ų | 62.1 | 23% | 0.229 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.1 | -42.6 | 177.2 | -66.8 | -65.8 | 112.6 | 0 | 0 | 111 | N154 N157 Y211 I212 V218 A219 | N154-E215 PolarHBondContact ND2-OE2 3.08Å; N157-E215 PolarHBondContact ND2-OE2 3.06Å; Y211-E215 HydrophobicContact CD1-CG 4.08Å; Y211-E215 HydrophobicContact CE1-CG 3.55Å; Y211-E215 HydrophobicContact CE2-CG 4.21Å; Y211-E215 PolarHBondContact O-N 2.83Å; I212-E215 PolarHBondContact O-N 3.02Å; E215-V218 PolarHBondContact O-N 3.31Å; E215-A219 WeakPolarHBondContact O-CB 3.47Å; E215-A219 PolarHBondContact O-N 3.07Å |
| 216 | R | 88.4 | Confident | 90.3 | Very high | 158 Ų | 158 | 69.7 Ų | 69.7 | 60% | 0.596 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61.6 | -43.3 | 175 | -178.4 | 174 | 176 | 179.3 | -2.2 | 112 | I212 R214 A219 I220 | I212-R216 VanDerWaalsContact O-CB 3.26Å; I212-R216 WeakPolarHBondContact O-CB 3.21Å; I212-R216 PolarHBondContact O-N 2.9Å; R214-R216 VanDerWaalsContact C-N 3.31Å; R214-R216 PolarHBondContact O-N 2.7Å; R216-A219 PolarHBondContact O-N 3.26Å; R216-I220 HydrophobicContact CG-CD1 3.69Å; R216-I220 HydrophobicContact CG-CG1 4.35Å; R216-I220 WeakPolarHBondContact O-CB 3.21Å; R216-I220 VanDerWaalsContact O-CG1 3.26Å; R216-I220 WeakPolarHBondContact O-CG1 3.36Å; R216-I220 PolarHBondContact O-N 2.97Å |
| 217 | A | 88.6 | Confident | 89.5 | Confident | 49 Ų | 49 | 76.2 Ų | 76.2 | 41% | 0.405 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A213 R214 I220 S221 | A213-A217 WeakPolarHBondContact O-CB 3.5Å; A213-A217 PolarHBondContact O-N 3.02Å; R214-A217 PolarHBondContact O-N 2.89Å; A217-I220 PolarHBondContact O-N 3.36Å; A217-S221 PolarHBondContact O-N 3.5Å |
| 218 | V | 88.8 | Confident | 88.7 | Confident | 84 Ų | 84 | 73.9 Ų | 73.9 | 51% | 0.509 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 176 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | R214 E215 T222 | R214-V218 WeakPolarHBondContact O-CG2 3.41Å; R214-V218 PolarHBondContact O-N 3.26Å; E215-V218 PolarHBondContact O-N 3.31Å; V218-T222 VanDerWaalsContact O-CB 3.27Å; V218-T222 WeakPolarHBondContact O-CB 3.28Å; V218-T222 PolarHBondContact O-N 3.05Å; V218-T222 PolarHBondContact O-OG1 3.4Å |
| 219 | A | 84.2 | Confident | 88.1 | Confident | 44 Ų | 44 | 78.3 Ų | 78.3 | 36% | 0.364 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E215 R216 A223 | E215-A219 WeakPolarHBondContact O-CB 3.47Å; E215-A219 PolarHBondContact O-N 3.07Å; R216-A219 PolarHBondContact O-N 3.26Å; A219-A223 WeakPolarHBondContact O-CB 3.39Å; A219-A223 PolarHBondContact O-N 2.89Å |
| 220 | I | 84 | Confident | 87.3 | Confident | 52 Ų | 52 | 83 Ų | 83 | 27% | 0.267 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.7 | -49.5 | 177.3 | -70.2 | 170.9 | 0 | 0 | 0 | 111 | R216 A217 T222 A223 V224 P1136 | R216-I220 HydrophobicContact CG-CD1 3.69Å; R216-I220 HydrophobicContact CG-CG1 4.35Å; R216-I220 WeakPolarHBondContact O-CB 3.21Å; R216-I220 VanDerWaalsContact O-CG1 3.26Å; R216-I220 WeakPolarHBondContact O-CG1 3.36Å; R216-I220 PolarHBondContact O-N 2.97Å; A217-I220 PolarHBondContact O-N 3.36Å; I220-T222 VanDerWaalsContact C-N 3.34Å; I220-T222 PolarHBondContact O-N 3.39Å; I220-A223 PolarHBondContact O-N 3.48Å; I220-A223 VanDerWaalsContact O-N 3.09Å; I220-V224 HydrophobicContact CG2-CG2 4.27Å; I220-V224 WeakPolarHBondContact O-CG2 3.3Å; I220-V224 PolarHBondContact O-N 3.24Å; I220-P1136 HydrophobicContact CD1-CG 4.49Å; I220-P1136 HydrophobicContact CG2-CG 3.9Å |
| 221 | S | 87.7 | Confident | 86.5 | Confident | 59 Ų | 59 | 83 Ų | 83 | 41% | 0.413 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -53.8 | -54.3 | 175.6 | -167.4 | 0 | 0 | 0 | 0 | 109.9 | A217 A223 V224 D225 | A217-S221 PolarHBondContact O-N 3.5Å; S221-A223 PolarHBondContact O-N 2.76Å; S221-A223 VanDerWaalsContact O-N 3.07Å; S221-V224 CarbonylContact O-C 3.46Å; S221-V224 WeakPolarHBondContact O-CA 3.18Å; S221-V224 PolarHBondContact O-N 2.9Å; S221-D225 WeakPolarHBondContact O-CB 3.25Å; S221-D225 PolarHBondContact O-N 2.69Å; S221-D225 PolarHBondContact OG-OD2 3.37Å |
| 222 | T | 86.2 | Confident | 85.9 | Confident | 48 Ų | 48 | 85.4 Ų | 85.4 | 29% | 0.294 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -56.5 | -32 | 179.7 | -55.3 | 0 | 0 | 0 | 0 | 113.2 | V218 I220 R226 | V218-T222 VanDerWaalsContact O-CB 3.27Å; V218-T222 WeakPolarHBondContact O-CB 3.28Å; V218-T222 PolarHBondContact O-N 3.05Å; V218-T222 PolarHBondContact O-OG1 3.4Å; I220-T222 VanDerWaalsContact C-N 3.34Å; I220-T222 PolarHBondContact O-N 3.39Å; T222-R226 VanDerWaalsContact CG2-CZ 3.42Å; T222-R226 WeakPolarHBondContact O-CB 3.36Å; T222-R226 VanDerWaalsContact O-CD 3.22Å; T222-R226 WeakPolarHBondContact O-CD 3.37Å; T222-R226 WeakPolarHBondContact O-CG 3.46Å; T222-R226 PolarHBondContact O-N 2.91Å |
| 223 | A | 82 | Confident | 84.9 | Confident | 51 Ų | 51 | 85.2 Ų | 85.2 | 42% | 0.421 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -78.8 | -35.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A219 I220 S221 K227 | A219-A223 WeakPolarHBondContact O-CB 3.39Å; A219-A223 PolarHBondContact O-N 2.89Å; I220-A223 PolarHBondContact O-N 3.48Å; I220-A223 VanDerWaalsContact O-N 3.09Å; S221-A223 PolarHBondContact O-N 2.76Å; S221-A223 VanDerWaalsContact O-N 3.07Å; A223-K227 PolarHBondContact O-N 2.7Å |
| 224 | V | 83.4 | Confident | 84.1 | Confident | 70 Ų | 70 | 88 Ų | 88 | 42% | 0.424 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.4 | -54.4 | 172.7 | 172.2 | 0 | 0 | 0 | 0 | 109.7 | I220 S221 R226 K227 C228 | I220-V224 HydrophobicContact CG2-CG2 4.27Å; I220-V224 WeakPolarHBondContact O-CG2 3.3Å; I220-V224 PolarHBondContact O-N 3.24Å; S221-V224 CarbonylContact O-C 3.46Å; S221-V224 WeakPolarHBondContact O-CA 3.18Å; S221-V224 PolarHBondContact O-N 2.9Å; V224-R226 PolarHBondContact O-N 2.75Å; V224-K227 PolarHBondContact O-N 2.95Å; V224-C228 HydrophobicContact CG1-CB 3.99Å; V224-C228 WeakPolarHBondContact O-CB 3.15Å; V224-C228 PolarHBondContact O-N 3.32Å |
| 225 | D | 84.3 | Confident | 83.4 | Confident | 110 Ų | 110 | 84 Ų | 84 | 59% | 0.588 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -56.3 | -28.8 | -178.1 | -59.1 | -37.9 | 0 | 0 | 0 | 112.9 | S221 | S221-D225 WeakPolarHBondContact O-CB 3.25Å; S221-D225 PolarHBondContact O-N 2.69Å; S221-D225 PolarHBondContact OG-OD2 3.37Å |
| 226 | R | 84.8 | Confident | 82.9 | Confident | 208 Ų | 208 | 84.5 Ų | 84.5 | 79% | 0.785 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -83.5 | -21.9 | 176.1 | -73.5 | 173.3 | -173.2 | 175.8 | 3.6 | 114.8 | T222 V224 | T222-R226 VanDerWaalsContact CG2-CZ 3.42Å; T222-R226 WeakPolarHBondContact O-CB 3.36Å; T222-R226 VanDerWaalsContact O-CD 3.22Å; T222-R226 WeakPolarHBondContact O-CD 3.37Å; T222-R226 WeakPolarHBondContact O-CG 3.46Å; T222-R226 PolarHBondContact O-N 2.91Å; V224-R226 PolarHBondContact O-N 2.75Å |
| 227 | K | 82.1 | Confident | 82.6 | Confident | 163 Ų | 163 | 80.7 Ų | 80.7 | 71% | 0.709 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -108.1 | -30.4 | -176.7 | -72 | -172.1 | 175.3 | -171.7 | 0 | 113.2 | A223 V224 N229 L232 | A223-K227 PolarHBondContact O-N 2.7Å; V224-K227 PolarHBondContact O-N 2.95Å; K227-N229 PolarHBondContact O-N 2.69Å; K227-L232 WeakPolarHBondContact O-CD2 3.42Å |
| 228 | C | 80.3 | Confident | 82.2 | Confident | 49 Ų | 49 | 82.2 Ų | 82.2 | 33% | 0.331 | 43% | 0.431 | S | S | . | . | trans | -82.4 | 78.8 | -175.8 | -150.5 | 0 | 0 | 0 | 0 | 110.3 | V224 | V224-C228 HydrophobicContact CG1-CB 3.99Å; V224-C228 WeakPolarHBondContact O-CB 3.15Å; V224-C228 PolarHBondContact O-N 3.32Å | ||
| 229 | N | 84 | Confident | 81.7 | Confident | 98 Ų | 98 | 79.2 Ų | 79.2 | 52% | 0.524 | 41% | 0.412 | S | S | . | . | trans | -81.9 | 164.9 | 167.5 | 64.6 | 44.7 | 0 | 0 | 0 | 111 | K227 Q231 L232 A233 | K227-N229 PolarHBondContact O-N 2.69Å; N229-Q231 PolarHBondContact O-N 2.77Å; N229-Q231 VanDerWaalsContact O-N 3.15Å; N229-Q231 WeakPolarHBondContact OD1-CB 3.4Å; N229-Q231 PolarHBondContact OD1-N 3.37Å; N229-L232 PolarHBondContact O-N 2.86Å; N229-L232 PolarHBondContact OD1-N 2.91Å; N229-A233 WeakPolarHBondContact O-CB 3.17Å; N229-A233 PolarHBondContact O-N 2.91Å | ||
| 230 | D | 78.7 | Confident | 81.7 | Confident | 123 Ų | 123 | 79.5 Ų | 79.5 | 66% | 0.658 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -56.5 | -34.5 | -176.4 | -60.7 | -46.8 | 0 | 0 | 0 | 113.2 | Y234 | D230-Y234 HydrophobicContact CB-CD2 4.06Å; D230-Y234 WeakPolarHBondContact O-CB 3.3Å; D230-Y234 WeakPolarHBondContact O-CD2 3.46Å; D230-Y234 PolarHBondContact O-N 3.19Å |
| 231 | Q | 81.1 | Confident | 81.8 | Confident | 112 Ų | 112 | 79.7 Ų | 79.7 | 52% | 0.523 | 41% | 0.411 | S | S | . | . | I | π-helix | trans | -67.1 | -43.5 | 178.5 | -171.8 | 67.1 | 14.6 | 0 | 0 | 111.5 | N229 V235 T236 | N229-Q231 PolarHBondContact O-N 2.77Å; N229-Q231 VanDerWaalsContact O-N 3.15Å; N229-Q231 WeakPolarHBondContact OD1-CB 3.4Å; N229-Q231 PolarHBondContact OD1-N 3.37Å; Q231-V235 WeakPolarHBondContact O-CA 3.45Å; Q231-V235 WeakPolarHBondContact O-CB 3.39Å; Q231-V235 PolarHBondContact O-N 3.43Å; Q231-T236 PolarHBondContact O-N 3.43Å; Q231-T236 PolarHBondContact O-OG1 3.37Å |
| 232 | L | 82.6 | Confident | 81.4 | Confident | 60 Ų | 60 | 77.8 Ų | 77.8 | 31% | 0.314 | 40% | 0.399 | S | S | . | . | I | π-helix | trans | -66.7 | -47.5 | 176.2 | -176.4 | 61 | 0 | 0 | 0 | 110.8 | K227 N229 T236 M237 | K227-L232 WeakPolarHBondContact O-CD2 3.42Å; N229-L232 PolarHBondContact O-N 2.86Å; N229-L232 PolarHBondContact OD1-N 2.91Å; L232-T236 HydrophobicContact CD1-CG2 4.07Å; L232-M237 HydrophobicContact CG-CE 4.27Å; L232-M237 WeakPolarHBondContact O-CB 3.47Å; L232-M237 VanDerWaalsContact O-CG 3.29Å; L232-M237 WeakPolarHBondContact O-CG 3.3Å; L232-M237 PolarHBondContact O-N 2.97Å |
| 233 | A | 75.8 | Confident | 81 | Confident | 26 Ų | 26 | 77.2 Ų | 77.2 | 22% | 0.215 | 40% | 0.396 | C | S | . | . | I | π-helix | trans | -69.7 | -50.7 | -175 | 0 | 0 | 0 | 0 | 0 | 113.6 | N229 | N229-A233 WeakPolarHBondContact O-CB 3.17Å; N229-A233 PolarHBondContact O-N 2.91Å |
| 234 | Y | 74 | Confident | 81.2 | Confident | 118 Ų | 118 | 78.1 Ų | 78.1 | 46% | 0.463 | 39% | 0.389 | S | S | . | . | I | π-helix | trans | -92.4 | -30.4 | -171.5 | -65.1 | -82.3 | 0 | 0 | 0 | 113.5 | D230 R238 | D230-Y234 HydrophobicContact CB-CD2 4.06Å; D230-Y234 WeakPolarHBondContact O-CB 3.3Å; D230-Y234 WeakPolarHBondContact O-CD2 3.46Å; D230-Y234 PolarHBondContact O-N 3.19Å; Y234-R238 WeakPolarHBondContact O-CB 3.48Å; Y234-R238 VanDerWaalsContact O-CD 3.3Å; Y234-R238 WeakPolarHBondContact O-CD 3.45Å; Y234-R238 WeakPolarHBondContact O-CG 3.49Å; Y234-R238 PolarHBondContact O-NH1 2.7Å |
| 235 | V | 78.9 | Confident | 81.3 | Confident | 34 Ų | 34 | 75.5 Ų | 75.5 | 21% | 0.206 | 37% | 0.372 | C | S | . | . | I | π-helix | trans | -101.9 | -71.5 | -180 | -170.1 | 0 | 0 | 0 | 0 | 110.7 | Q231 M237 R238 N239 L400 | Q231-V235 WeakPolarHBondContact O-CA 3.45Å; Q231-V235 WeakPolarHBondContact O-CB 3.39Å; Q231-V235 PolarHBondContact O-N 3.43Å; V235-M237 PolarHBondContact O-N 2.7Å; V235-R238 WeakPolarHBondContact O-CA 3.38Å; V235-R238 WeakPolarHBondContact O-CB 3.49Å; V235-R238 PolarHBondContact O-N 2.75Å; V235-N239 PolarHBondContact O-N 2.74Å; V235-N239 PolarHBondContact O-OD1 2.98Å; V235-L400 HydrophobicContact CG1-CD2 4.45Å |
| 236 | T | 80.8 | Confident | 81.1 | Confident | 59 Ų | 59 | 72.2 Ų | 72.2 | 36% | 0.362 | 35% | 0.354 | S | S | . | . | I | π-helix | trans | -58.8 | -42.1 | -169.1 | -53.6 | 0 | 0 | 0 | 0 | 113.3 | Q231 L232 N239 L240 | Q231-T236 PolarHBondContact O-N 3.43Å; Q231-T236 PolarHBondContact O-OG1 3.37Å; L232-T236 HydrophobicContact CD1-CG2 4.07Å; T236-N239 PolarHBondContact O-N 2.86Å; T236-L240 HydrophobicContact CG2-CD1 4.22Å; T236-L240 WeakPolarHBondContact O-CG 3.41Å; T236-L240 PolarHBondContact O-N 2.86Å |
| 237 | M | 81.7 | Confident | 80.9 | Confident | 77 Ų | 77 | 62.5 Ų | 62.5 | 38% | 0.379 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 174.2 | -75.1 | 179.7 | -176.8 | 0 | 0 | 112.6 | L232 V235 N239 L240 V241 | L232-M237 HydrophobicContact CG-CE 4.27Å; L232-M237 WeakPolarHBondContact O-CB 3.47Å; L232-M237 VanDerWaalsContact O-CG 3.29Å; L232-M237 WeakPolarHBondContact O-CG 3.3Å; L232-M237 PolarHBondContact O-N 2.97Å; V235-M237 PolarHBondContact O-N 2.7Å; M237-N239 VanDerWaalsContact C-N 3.33Å; M237-N239 PolarHBondContact O-N 3.12Å; M237-L240 PolarHBondContact O-N 2.72Å; M237-V241 WeakPolarHBondContact O-CG2 3.43Å; M237-V241 PolarHBondContact O-N 3.28Å |
| 238 | R | 81.4 | Confident | 80.9 | Confident | 82 Ų | 82 | 56.5 Ų | 56.5 | 31% | 0.309 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61 | -42.8 | 173.9 | -85.2 | -168.7 | 174.3 | 67.2 | 4.2 | 111.5 | Y234 V235 V241 A242 | Y234-R238 WeakPolarHBondContact O-CB 3.48Å; Y234-R238 VanDerWaalsContact O-CD 3.3Å; Y234-R238 WeakPolarHBondContact O-CD 3.45Å; Y234-R238 WeakPolarHBondContact O-CG 3.49Å; Y234-R238 PolarHBondContact O-NH1 2.7Å; V235-R238 WeakPolarHBondContact O-CA 3.38Å; V235-R238 WeakPolarHBondContact O-CB 3.49Å; V235-R238 PolarHBondContact O-N 2.75Å; R238-V241 PolarHBondContact O-N 3.17Å; R238-A242 WeakPolarHBondContact O-CB 3.49Å; R238-A242 PolarHBondContact O-N 3.25Å |
| 239 | N | 78 | Confident | 80.7 | Confident | 21 Ų | 21 | 54.4 Ų | 54.4 | 11% | 0.112 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 177.1 | -67.5 | 39.8 | 0 | 0 | 0 | 110.9 | V235 T236 M237 V241 A242 T243 F401 | V235-N239 PolarHBondContact O-N 2.74Å; V235-N239 PolarHBondContact O-OD1 2.98Å; T236-N239 PolarHBondContact O-N 2.86Å; M237-N239 VanDerWaalsContact C-N 3.33Å; M237-N239 PolarHBondContact O-N 3.12Å; N239-V241 PolarHBondContact O-N 3.04Å; N239-A242 PolarHBondContact O-N 3.49Å; N239-T243 WeakPolarHBondContact O-CB 3.39Å; N239-T243 VanDerWaalsContact O-CG2 3.25Å; N239-T243 WeakPolarHBondContact O-CG2 3.03Å; N239-T243 PolarHBondContact O-N 3.29Å; N239-T243 PolarHBondContact O-OG1 3.44Å; N239-F401 VanDerWaalsContact CG-CZ 3.47Å; N239-F401 WeakPolarHBondContact ND2-CE2 3.39Å; N239-F401 WeakPolarHBondContact ND2-CZ 3.32Å; N239-F401 WeakPolarHBondContact OD1-CZ 3.21Å |
| 240 | L | 83.5 | Confident | 80.7 | Confident | 50 Ų | 50 | 53.9 Ų | 53.9 | 26% | 0.262 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 176.9 | -75.5 | 166.7 | 0 | 0 | 0 | 112.7 | T236 M237 T243 Y244 V842 | T236-L240 HydrophobicContact CG2-CD1 4.22Å; T236-L240 WeakPolarHBondContact O-CG 3.41Å; T236-L240 PolarHBondContact O-N 2.86Å; M237-L240 PolarHBondContact O-N 2.72Å; L240-T243 PolarHBondContact O-OG1 2.92Å; L240-T243 VanDerWaalsContact O-OG1 3.06Å; L240-Y244 WeakPolarHBondContact O-CB 3.43Å; L240-Y244 PolarHBondContact O-N 3.46Å; L240-Y244 VanDerWaalsContact O-N 3.09Å; L240-V842 HydrophobicContact CD2-CB 4.21Å; L240-V842 HydrophobicContact CD2-CG1 3.92Å |
| 241 | V | 86.3 | Confident | 80.7 | Confident | 55 Ų | 55 | 50 Ų | 50 | 33% | 0.333 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -72.4 | -43.7 | 177.3 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | M237 R238 N239 T243 Y244 L245 L257 | M237-V241 WeakPolarHBondContact O-CG2 3.43Å; M237-V241 PolarHBondContact O-N 3.28Å; R238-V241 PolarHBondContact O-N 3.17Å; N239-V241 PolarHBondContact O-N 3.04Å; V241-T243 PolarHBondContact O-N 2.9Å; V241-Y244 WeakPolarHBondContact O-CB 3.39Å; V241-Y244 PolarHBondContact O-N 2.97Å; V241-L245 HydrophobicContact CG1-CD1 3.96Å; V241-L245 HydrophobicContact CG1-CG 4.25Å; V241-L245 VanDerWaalsContact O-CG 3.29Å; V241-L245 WeakPolarHBondContact O-CG 3.38Å; V241-L245 PolarHBondContact O-N 3.45Å; V241-L257 HydrophobicContact CB-CD2 3.96Å; V241-L257 HydrophobicContact CG1-CD2 3.63Å |
| 242 | A | 80.3 | Confident | 80.6 | Confident | 20 Ų | 20 | 49.6 Ų | 49.6 | 17% | 0.165 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | R238 N239 L245 L246 L257 | R238-A242 WeakPolarHBondContact O-CB 3.49Å; R238-A242 PolarHBondContact O-N 3.25Å; N239-A242 PolarHBondContact O-N 3.49Å; A242-L245 PolarHBondContact O-N 3.28Å; A242-L246 WeakPolarHBondContact O-CB 3.32Å; A242-L246 VanDerWaalsContact O-CG 3.32Å; A242-L246 WeakPolarHBondContact O-CG 3.43Å; A242-L246 PolarHBondContact O-N 3.01Å; A242-L257 HydrophobicContact CB-CD2 4.14Å |
| 243 | T | 77.7 | Confident | 80.8 | Confident | 36 Ų | 36 | 49.3 Ų | 49.3 | 22% | 0.221 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66 | -37.9 | 175.2 | 54.6 | 0 | 0 | 0 | 0 | 112.5 | N239 L240 V241 H247 | N239-T243 WeakPolarHBondContact O-CB 3.39Å; N239-T243 VanDerWaalsContact O-CG2 3.25Å; N239-T243 WeakPolarHBondContact O-CG2 3.03Å; N239-T243 PolarHBondContact O-N 3.29Å; N239-T243 PolarHBondContact O-OG1 3.44Å; L240-T243 PolarHBondContact O-OG1 2.92Å; L240-T243 VanDerWaalsContact O-OG1 3.06Å; V241-T243 PolarHBondContact O-N 2.9Å; T243-H247 WeakPolarHBondContact O-CB 3.41Å; T243-H247 PolarHBondContact O-N 2.9Å |
| 244 | Y | 85.7 | Confident | 81.1 | Confident | 70 Ų | 70 | 48.7 Ų | 48.7 | 28% | 0.275 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.7 | -46.3 | 171.3 | 173.5 | -87.8 | 0 | 0 | 0 | 112.5 | L240 V241 N248 F250 P841 L843 D844 | L240-Y244 WeakPolarHBondContact O-CB 3.43Å; L240-Y244 PolarHBondContact O-N 3.46Å; L240-Y244 VanDerWaalsContact O-N 3.09Å; V241-Y244 WeakPolarHBondContact O-CB 3.39Å; V241-Y244 PolarHBondContact O-N 2.97Å; Y244-N248 WeakPolarHBondContact CE2-ND2 3.49Å; Y244-N248 WeakPolarHBondContact O-CB 3.35Å; Y244-N248 PolarHBondContact O-N 2.76Å; Y244-N248 VanDerWaalsContact O-N 3.14Å; Y244-N248 PolarHBondContact O-ND2 2.99Å; Y244-F250 HydrophobicContact CE1-CE2 4.41Å; Y244-P841 HydrophobicContact CD2-CB 3.75Å; Y244-P841 HydrophobicContact CD2-CG 3.72Å; Y244-P841 HydrophobicContact CE2-CG 4.19Å; Y244-L843 HydrophobicContact CD2-CD2 4.32Å; Y244-L843 HydrophobicContact CG-CD2 4.18Å; Y244-D844 WeakPolarHBondContact CD2-OD1 3.44Å; Y244-D844 WeakPolarHBondContact CE2-OD1 3.05Å |
| 245 | L | 86 | Confident | 81.2 | Confident | 14 Ų | 14 | 48.9 Ų | 48.9 | 7% | 0.073 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.3 | -44 | -179.7 | -69.3 | 171.9 | 0 | 0 | 0 | 111.7 | V241 A242 N248 G249 F250 A254 L257 | V241-L245 HydrophobicContact CG1-CD1 3.96Å; V241-L245 HydrophobicContact CG1-CG 4.25Å; V241-L245 VanDerWaalsContact O-CG 3.29Å; V241-L245 WeakPolarHBondContact O-CG 3.38Å; V241-L245 PolarHBondContact O-N 3.45Å; A242-L245 PolarHBondContact O-N 3.28Å; L245-N248 CarbonylContact O-C 3.53Å; L245-G249 PolarHBondContact O-N 2.96Å; L245-F250 HydrophobicContact CB-CB 4.28Å; L245-F250 HydrophobicContact CD2-CB 3.89Å; L245-F250 HydrophobicContact CD2-CD2 3.91Å; L245-F250 HydrophobicContact CD2-CG 4.3Å; L245-F250 PolarHBondContact O-N 2.83Å; L245-A254 HydrophobicContact CB-CB 3.93Å; L245-L257 HydrophobicContact CD1-CB 4.48Å; L245-L257 HydrophobicContact CD1-CD2 3.84Å |
| 246 | L | 79.4 | Confident | 81.3 | Confident | 42 Ų | 42 | 50.9 Ų | 50.9 | 22% | 0.22 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67 | -43.8 | 177.9 | -71.2 | 172.1 | 0 | 0 | 0 | 112.6 | A242 N248 G249 L251 A254 L410 | A242-L246 WeakPolarHBondContact O-CB 3.32Å; A242-L246 VanDerWaalsContact O-CG 3.32Å; A242-L246 WeakPolarHBondContact O-CG 3.43Å; A242-L246 PolarHBondContact O-N 3.01Å; L246-N248 VanDerWaalsContact C-N 3.32Å; L246-N248 PolarHBondContact O-N 3.39Å; L246-G249 PolarHBondContact O-N 2.95Å; L246-L251 HydrophobicContact CD2-CD1 3.87Å; L246-A254 HydrophobicContact CD2-CB 3.72Å; L246-A254 HydrophobicContact CG-CB 3.89Å; L246-L410 HydrophobicContact CB-CD1 4.09Å; L246-L410 HydrophobicContact CD2-CD1 4.02Å |
| 247 | H | 80.3 | Confident | 81.2 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.019 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.1 | -49.2 | 176.5 | -177.5 | -63.8 | 0 | 0 | 0 | 111.2 | T243 G249 W403 R413 L832 P838 C839 P841 | T243-H247 WeakPolarHBondContact O-CB 3.41Å; T243-H247 PolarHBondContact O-N 2.9Å; H247-G249 PolarHBondContact O-N 3.43Å; H247-W403 HydrophobicContact CB-CH2 4.27Å; H247-W403 HydrophobicContact CB-CZ2 4.08Å; H247-W403 AromaticContact CD2-CH2 3.88Å; H247-R413 PolarHBondContact O-NH1 2.83Å; H247-L832 VanDerWaalsContact CE1-CD1 3.43Å; H247-L832 WeakPolarHBondContact CE1-CD1 3.41Å; H247-L832 WeakPolarHBondContact NE2-CD1 3.5Å; H247-P838 PolarHBondContact NE2-O 2.88Å; H247-C839 PolarHBondContact CE1-O 3.33Å; H247-C839 PolarHBondContact NE2-O 2.84Å; H247-C839 VanDerWaalsContact NE2-O 3.12Å; H247-P841 HydrophobicContact CB-CG 4.15Å |
| 248 | N | 82 | Confident | 80.5 | Confident | 37 Ų | 37 | 48.2 Ų | 48.2 | 20% | 0.198 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -0.4 | 175.8 | -72.8 | -81.6 | 0 | 0 | 0 | 114.2 | Y244 L245 L246 F250 R417 | Y244-N248 WeakPolarHBondContact CE2-ND2 3.49Å; Y244-N248 WeakPolarHBondContact O-CB 3.35Å; Y244-N248 PolarHBondContact O-N 2.76Å; Y244-N248 VanDerWaalsContact O-N 3.14Å; Y244-N248 PolarHBondContact O-ND2 2.99Å; L245-N248 CarbonylContact O-C 3.53Å; L246-N248 VanDerWaalsContact C-N 3.32Å; L246-N248 PolarHBondContact O-N 3.39Å; N248-F250 VanDerWaalsContact C-N 3.32Å; N248-F250 HydrophobicContact CB-CD2 3.53Å; N248-F250 HydrophobicContact CB-CE2 3.41Å; N248-F250 VanDerWaalsContact CB-CE2 3.41Å; N248-F250 HydrophobicContact CB-CG 4.42Å; N248-F250 HydrophobicContact CB-CZ 4.22Å; N248-F250 PolarHBondContact O-N 3.05Å; N248-R417 VanDerWaalsContact O-CZ 3.24Å; N248-R417 PolarHBondContact O-NH1 3.24Å; N248-R417 PolarHBondContact O-NH2 3.09Å |
| 249 | G | 76.4 | Confident | 79.2 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 4% | 0.041 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 18 | 176 | 0 | 0 | 0 | 0 | 0 | 115.5 | L245 L246 H247 L251 R414 | L245-G249 PolarHBondContact O-N 2.96Å; L246-G249 PolarHBondContact O-N 2.95Å; H247-G249 PolarHBondContact O-N 3.43Å; G249-L251 PolarHBondContact O-N 2.95Å; G249-R414 PolarHBondContact O-NE 2.94Å |
| 250 | F | 83.3 | Confident | 78 | Confident | 88 Ų | 88 | 56.9 Ų | 56.9 | 39% | 0.386 | 30% | 0.301 | S | S | . | . | trans | -78.2 | 60.8 | 173.1 | -58.2 | -54.5 | 0 | 0 | 0 | 110.7 | Y244 L245 N248 E252 S253 A254 | Y244-F250 HydrophobicContact CE1-CE2 4.41Å; L245-F250 HydrophobicContact CB-CB 4.28Å; L245-F250 HydrophobicContact CD2-CB 3.89Å; L245-F250 HydrophobicContact CD2-CD2 3.91Å; L245-F250 HydrophobicContact CD2-CG 4.3Å; L245-F250 PolarHBondContact O-N 2.83Å; N248-F250 VanDerWaalsContact C-N 3.32Å; N248-F250 HydrophobicContact CB-CD2 3.53Å; N248-F250 HydrophobicContact CB-CE2 3.41Å; N248-F250 VanDerWaalsContact CB-CE2 3.41Å; N248-F250 HydrophobicContact CB-CG 4.42Å; N248-F250 HydrophobicContact CB-CZ 4.22Å; N248-F250 PolarHBondContact O-N 3.05Å; F250-E252 PolarHBondContact O-N 3.14Å; F250-S253 PolarHBondContact O-N 3.41Å; F250-A254 PolarHBondContact O-N 3.31Å | ||
| 251 | L | 78.6 | Confident | 75.9 | Confident | 42 Ų | 42 | 59.7 Ų | 59.7 | 22% | 0.22 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.9 | -41.2 | -167.7 | -176.1 | 61.4 | 0 | 0 | 0 | 113.1 | L246 G249 S253 A254 Q255 L411 | L246-L251 HydrophobicContact CD2-CD1 3.87Å; G249-L251 PolarHBondContact O-N 2.95Å; L251-S253 VanDerWaalsContact C-N 3.34Å; L251-S253 PolarHBondContact O-N 2.85Å; L251-A254 PolarHBondContact O-N 3.04Å; L251-Q255 WeakPolarHBondContact O-CB 3.25Å; L251-Q255 PolarHBondContact O-N 3.06Å; L251-L411 HydrophobicContact CD2-CD2 3.83Å |
| 252 | E | 79 | Confident | 73.4 | Confident | 103 Ų | 103 | 62.1 Ų | 62.1 | 48% | 0.481 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.7 | -40.2 | -180 | -59.6 | 72.3 | -157.4 | 0 | 0 | 110.8 | F250 Q255 A256 R414 | F250-E252 PolarHBondContact O-N 3.14Å; E252-Q255 PolarHBondContact O-N 3.4Å; E252-A256 WeakPolarHBondContact O-CB 3.43Å; E252-A256 PolarHBondContact O-N 2.68Å; E252-R414 IonicContact OE1-CZ 2.66Å; E252-R414 VanDerWaalsContact OE1-CZ 3.28Å; E252-R414 IonicContact OE1-NH1 3.62Å; E252-R414 PolarHBondContact OE1-NH1 3.46Å; E252-R414 IonicContact OE1-NH2 2.68Å; E252-R414 PolarHBondContact OE1-NH2 3.19Å; E252-R414 IonicContact OE2-CZ 2.69Å; E252-R414 IonicContact OE2-NH1 3.53Å; E252-R414 IonicContact OE2-NH2 3.59Å; E252-R414 PolarHBondContact OE2-NH2 3.16Å |
| 253 | S | 87.2 | Confident | 71 | Confident | 54 Ų | 54 | 70 Ų | 70 | 38% | 0.378 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.8 | -38.8 | 174.3 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | F250 L251 L257 | F250-S253 PolarHBondContact O-N 3.41Å; L251-S253 VanDerWaalsContact C-N 3.34Å; L251-S253 PolarHBondContact O-N 2.85Å; S253-L257 VanDerWaalsContact O-CB 3.3Å; S253-L257 WeakPolarHBondContact O-CB 3.42Å; S253-L257 PolarHBondContact O-N 2.83Å |
| 254 | A | 81.8 | Confident | 68.7 | Low | 12 Ų | 12 | 72.6 Ų | 72.6 | 10% | 0.099 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.4 | -39.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L245 L246 F250 L251 G258 | L245-A254 HydrophobicContact CB-CB 3.93Å; L246-A254 HydrophobicContact CD2-CB 3.72Å; L246-A254 HydrophobicContact CG-CB 3.89Å; F250-A254 PolarHBondContact O-N 3.31Å; L251-A254 PolarHBondContact O-N 3.04Å; A254-G258 PolarHBondContact O-N 2.77Å; A254-G258 VanDerWaalsContact O-N 3.16Å |
| 255 | Q | 76.2 | Confident | 66 | Low | 122 Ų | 122 | 73.6 Ų | 73.6 | 57% | 0.57 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -66.4 | -43.8 | 175.4 | -175.2 | 178 | -1.1 | 0 | 0 | 111.7 | L251 E252 G258 E259 | L251-Q255 WeakPolarHBondContact O-CB 3.25Å; L251-Q255 PolarHBondContact O-N 3.06Å; E252-Q255 PolarHBondContact O-N 3.4Å; Q255-G258 PolarHBondContact O-N 2.83Å; Q255-G258 VanDerWaalsContact O-N 3.1Å; Q255-E259 PolarHBondContact O-N 3.12Å |
| 256 | A | 81.7 | Confident | 63.5 | Low | 76 Ų | 76 | 79.3 Ų | 79.3 | 63% | 0.628 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -66.9 | -35.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | E252 G258 | E252-A256 WeakPolarHBondContact O-CB 3.43Å; E252-A256 PolarHBondContact O-N 2.68Å; A256-G258 PolarHBondContact O-N 3.3Å |
| 257 | L | 79.7 | Confident | 61.1 | Low | 58 Ų | 58 | 85.5 Ų | 85.5 | 30% | 0.304 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.5 | -24.8 | 171 | -179.8 | 62.9 | 0 | 0 | 0 | 112.5 | V241 A242 L245 S253 | V241-L257 HydrophobicContact CB-CD2 3.96Å; V241-L257 HydrophobicContact CG1-CD2 3.63Å; A242-L257 HydrophobicContact CB-CD2 4.14Å; L245-L257 HydrophobicContact CD1-CB 4.48Å; L245-L257 HydrophobicContact CD1-CD2 3.84Å; S253-L257 VanDerWaalsContact O-CB 3.3Å; S253-L257 WeakPolarHBondContact O-CB 3.42Å; S253-L257 PolarHBondContact O-N 2.83Å |
| 258 | G | 66.2 | Low | 58.5 | Low | 23 Ų | 23 | 89.4 Ų | 89.4 | 24% | 0.237 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -77.1 | -61 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | A254 Q255 A256 W260 | A254-G258 PolarHBondContact O-N 2.77Å; A254-G258 VanDerWaalsContact O-N 3.16Å; Q255-G258 PolarHBondContact O-N 2.83Å; Q255-G258 VanDerWaalsContact O-N 3.1Å; A256-G258 PolarHBondContact O-N 3.3Å; G258-W260 PolarHBondContact O-N 3.21Å; G258-W260 PolarHBondContact O-NE1 2.95Å |
| 259 | E | 53.6 | Low | 55.8 | Low | 146 Ų | 146 | 93.3 Ų | 93.3 | 68% | 0.682 | 53% | 0.529 | S | S | * | . | trans | 51 | 1.3 | -163.6 | -70.9 | -158.1 | 145.5 | 0 | 0 | 116.2 | Q255 | Q255-E259 PolarHBondContact O-N 3.12Š| ||
| 260 | W | 52.7 | Low | 53.5 | Low | 139 Ų | 139 | 98.7 Ų | 98.7 | 53% | 0.527 | 56% | 0.561 | S | S | . | * | trans | -96.1 | -14.4 | -172.8 | -61.1 | -12.3 | 0 | 0 | 0 | 114.3 | G258 T262 K263 F401 | G258-W260 PolarHBondContact O-N 3.21Å; G258-W260 PolarHBondContact O-NE1 2.95Å; W260-T262 PolarHBondContact O-N 3.38Å; W260-K263 PolarHBondContact O-N 3.49Å; W260-F401 HydrophobicContact CE3-CZ 4.44Å; W260-F401 HydrophobicContact CZ3-CE1 4.45Å; W260-F401 AromaticContact CZ3-CE2 3.95Å; W260-F401 HydrophobicContact CZ3-CE2 3.95Å; W260-F401 AromaticContact CZ3-CZ 3.65Å; W260-F401 HydrophobicContact CZ3-CZ 3.65Å | ||
| 261 | V | 40.3 | Very low | 50.9 | Low | 108 Ų | 108 | 100.8 Ų | 100.8 | 66% | 0.655 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -27.6 | 177.4 | -178.8 | 0 | 0 | 0 | 0 | 112 | ||
| 262 | T | 32.4 | Very low | 48.7 | Very low | 107 Ų | 107 | 104.2 Ų | 104.2 | 66% | 0.656 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | 9.7 | -178.5 | 44.2 | 0 | 0 | 0 | 0 | 114.4 | W260 | W260-T262 PolarHBondContact O-N 3.38Š|
| 263 | K | 30.7 | Very low | 46.4 | Very low | 184 Ų | 184 | 105.9 Ų | 105.9 | 80% | 0.8 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -120.8 | 2.5 | -179.3 | -133.5 | 169.6 | -170.7 | 167.9 | 0 | 115.7 | W260 | W260-K263 PolarHBondContact O-N 3.49Š|
| 264 | A | 30.2 | Very low | 43.9 | Very low | 91 Ų | 91 | 110.8 Ų | 110.8 | 75% | 0.752 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -103 | 8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 265 | S | 28 | Very low | 41.6 | Very low | 91 Ų | 91 | 116.3 Ų | 116.3 | 64% | 0.636 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -135 | 22.7 | -177.5 | -51.9 | 0 | 0 | 0 | 0 | 113.4 | ||
| 266 | I | 34.5 | Very low | 39.7 | Very low | 135 Ų | 135 | 117.7 Ų | 117.7 | 69% | 0.692 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -124.3 | 59.8 | 170.8 | -47.5 | 179.6 | 0 | 0 | 0 | 108.2 | ||
| 267 | D | 27.7 | Very low | 37.4 | Very low | 171 Ų | 171 | 122.1 Ų | 122.1 | 91% | 0.914 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -159.5 | 36.6 | 166.8 | -108.9 | -25.2 | 0 | 0 | 0 | 110.5 | ||
| 268 | S | 27.2 | Very low | 35.1 | Very low | 87 Ų | 87 | 124.5 Ų | 124.5 | 61% | 0.608 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -150.8 | 90.3 | 178.7 | 60.7 | 0 | 0 | 0 | 0 | 111.2 | ||
| 269 | S | 25.3 | Very low | 33.3 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 83% | 0.832 | 72% | 0.718 | S | S | * | * | trans | 64.6 | 151.9 | -170.1 | 81.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 270 | T | 27.7 | Very low | 32.1 | Very low | 117 Ų | 117 | 128.2 Ų | 128.2 | 72% | 0.718 | 72% | 0.72 | S | S | * | * | cis | -125.1 | 156.8 | 2.4 | 44.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 271 | T | 27.2 | Very low | 31.2 | Very low | 132 Ų | 132 | 127.7 Ų | 127.7 | 81% | 0.81 | 73% | 0.727 | S | S | * | * | trans | -108.1 | 121 | 148 | 48.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 272 | T | 33.5 | Very low | 30.9 | Very low | 114 Ų | 114 | 128.9 Ų | 128.9 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | trans | 51.9 | 105.1 | 163 | 58.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 273 | D | 29.6 | Very low | 30.9 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 73% | 0.733 | 73% | 0.73 | S | S | * | * | 35.9 | 143.3 | 93.2 | -48.8 | -35.9 | 0 | 0 | 0 | 117.4 | |||||
| 274 | E | 35.7 | Very low | 31 | Very low | 158 Ų | 158 | 129.7 Ų | 129.7 | 74% | 0.738 | 73% | 0.726 | S | S | * | * | cis | -164.4 | 150.3 | 28 | -143.2 | 179.9 | -111.9 | 0 | 0 | 112 | ||||
| 275 | N | 33.9 | Very low | 31.1 | Very low | 127 Ų | 127 | 132 Ų | 132 | 68% | 0.679 | 73% | 0.726 | S | S | * | * | trans | 62.6 | 157.1 | 159.9 | -52.5 | -36.4 | 0 | 0 | 0 | 119.3 | ||||
| 276 | N | 35.8 | Very low | 31.1 | Very low | 152 Ų | 152 | 132.7 Ų | 132.7 | 81% | 0.813 | 73% | 0.726 | S | S | * | * | cis | -149.1 | 178.4 | 6.2 | -143.5 | -4.1 | 0 | 0 | 0 | 112.9 | ||||
| 277 | E | 32.4 | Very low | 30.9 | Very low | 169 Ų | 169 | 134.1 Ų | 134.1 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | trans | -86.6 | 149.9 | -168 | -92.7 | -166.2 | 117.6 | 0 | 0 | 119.3 | ||||
| 278 | V | 32.6 | Very low | 31.1 | Very low | 107 Ų | 107 | 134 Ų | 134 | 65% | 0.648 | 72% | 0.724 | S | S | * | * | trans | 73.3 | 100 | 134.5 | 173.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 279 | T | 28.8 | Very low | 31.1 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 70% | 0.699 | 73% | 0.729 | S | S | * | * | trans | 77.4 | 144.4 | 138.1 | 57.3 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 280 | D | 27.9 | Very low | 31.4 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | trans | 55.7 | 113.7 | 156 | -55.4 | -5.2 | 0 | 0 | 0 | 118.7 | ||||
| 281 | N | 33.5 | Very low | 31.4 | Very low | 129 Ų | 129 | 138 Ų | 138 | 69% | 0.69 | 72% | 0.724 | S | S | * | * | -158.3 | 147.4 | 50.8 | -83.7 | -97.3 | 0 | 0 | 0 | 114.4 | |||||
| 282 | N | 34.1 | Very low | 31.6 | Very low | 132 Ų | 132 | 136.5 Ų | 136.5 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | trans | 50.8 | 103.7 | 134.6 | -52.9 | -18.1 | 0 | 0 | 0 | 121.8 | ||||
| 283 | D | 31.7 | Very low | 31.5 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 66% | 0.658 | 72% | 0.715 | S | S | * | * | 84.3 | 147.4 | 116.3 | -102.7 | -31.2 | 0 | 0 | 0 | 124.7 | |||||
| 284 | Y | 33.2 | Very low | 31.7 | Very low | 185 Ų | 185 | 134.2 Ų | 134.2 | 73% | 0.725 | 72% | 0.719 | S | S | * | * | trans | 62 | 99.5 | 159.7 | -58.2 | -50.5 | 0 | 0 | 0 | 123.4 | ||||
| 285 | N | 31.8 | Very low | 31.4 | Very low | 139 Ų | 139 | 132.6 Ų | 132.6 | 74% | 0.743 | 72% | 0.715 | S | S | * | * | 72.2 | 108.7 | 118.8 | -83.8 | -7 | 0 | 0 | 0 | 123.9 | |||||
| 286 | V | 28.6 | Very low | 31.3 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 64% | 0.642 | 73% | 0.726 | S | S | * | * | 74.9 | 126.6 | 111.7 | 171.3 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 287 | H | 29.9 | Very low | 31.1 | Very low | 166 Ų | 166 | 135.9 Ų | 135.9 | 77% | 0.769 | 72% | 0.717 | S | S | * | * | trans | 63.4 | 134.9 | 162 | -67.1 | -37.6 | 0 | 0 | 0 | 117.8 | ||||
| 288 | H | 33.6 | Very low | 31.1 | Very low | 169 Ų | 169 | 133.4 Ų | 133.4 | 78% | 0.782 | 71% | 0.713 | S | S | * | * | cis | -166.3 | 174.4 | 44.7 | -118.5 | -66.9 | 0 | 0 | 0 | 111.4 | ||||
| 289 | N | 27.1 | Very low | 31.1 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | trans | -61.1 | 152.1 | 165.7 | -53.8 | -15.4 | 0 | 0 | 0 | 110.6 | ||||
| 290 | D | 30.8 | Very low | 31.2 | Very low | 142 Ų | 142 | 133.5 Ų | 133.5 | 76% | 0.759 | 72% | 0.722 | S | S | * | * | -173.3 | 166.9 | 70.8 | -93.8 | -46.1 | 0 | 0 | 0 | 108.9 | |||||
| 291 | N | 28.5 | Very low | 31.5 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 67% | 0.674 | 73% | 0.731 | S | S | * | * | cis | 150.4 | 129.1 | -13.1 | -178.6 | 4.2 | 0 | 0 | 0 | 106.4 | ||||
| 292 | S | 30.8 | Very low | 31.4 | Very low | 102 Ų | 102 | 136.7 Ų | 136.7 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | trans | 69.5 | 162.3 | 165.1 | 92.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 293 | S | 30.6 | Very low | 31.7 | Very low | 88 Ų | 88 | 136 Ų | 136 | 62% | 0.615 | 74% | 0.741 | S | S | * | * | cis | -168.7 | 156.5 | -21.3 | 44.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 294 | S | 34.2 | Very low | 31.5 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | trans | 177.5 | 123.7 | 131.7 | 32 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 295 | N | 28.9 | Very low | 31.2 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 66% | 0.663 | 75% | 0.747 | S | S | * | * | cis | 85.9 | 117.6 | 38.5 | -72.4 | 1.2 | 0 | 0 | 0 | 115.1 | ||||
| 296 | Y | 32 | Very low | 31 | Very low | 231 Ų | 231 | 136.5 Ų | 136.5 | 91% | 0.906 | 75% | 0.75 | S | S | * | * | trans | -144.5 | 96.5 | 136.1 | -86 | -62.6 | 0 | 0 | 0 | 110.6 | ||||
| 297 | D | 31.1 | Very low | 30.9 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 63% | 0.626 | 76% | 0.755 | S | S | * | * | trans | 38.7 | 112.9 | 134.1 | -57.9 | -13 | 0 | 0 | 0 | 120.9 | ||||
| 298 | T | 34.1 | Very low | 30.8 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 71% | 0.712 | 75% | 0.75 | S | S | * | * | 79.2 | 148.6 | 92.6 | 82.2 | 0 | 0 | 0 | 0 | 115 | |||||
| 299 | N | 31.3 | Very low | 30.4 | Very low | 156 Ų | 156 | 129.9 Ų | 129.9 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | cis | -139.7 | 167.4 | 3.9 | -80.3 | -76.7 | 0 | 0 | 0 | 108.5 | ||||
| 300 | G | 30.8 | Very low | 30.5 | Very low | 67 Ų | 67 | 132.3 Ų | 132.3 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | cis | 164 | 174.4 | -3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 301 | K | 34.2 | Very low | 30.4 | Very low | 209 Ų | 209 | 131.8 Ų | 131.8 | 91% | 0.909 | 76% | 0.761 | S | S | * | * | trans | 75.9 | 86 | 170.4 | -62.5 | -174.4 | 176.7 | -179.7 | 0 | 120.9 | ||||
| 302 | S | 31.4 | Very low | 30.7 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | 31.6 | 154.7 | 111.1 | -61.1 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 303 | P | 40.7 | Very low | 30.7 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | trans | -138.7 | -159.5 | -143.3 | 35.9 | -11.7 | 0 | 0 | 0 | 116.7 | ||||
| 304 | V | 28.2 | Very low | 30.7 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 70% | 0.697 | 78% | 0.777 | S | S | * | * | trans | 120.4 | 110.2 | 147 | -178.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 305 | K | 26.6 | Very low | 30.7 | Very low | 189 Ų | 189 | 133.6 Ų | 133.6 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | 61.7 | 158.4 | 153.5 | -71.9 | 171.8 | -176.1 | 175.9 | 0 | 118 | ||||
| 306 | L | 27.4 | Very low | 30.6 | Very low | 154 Ų | 154 | 133.8 Ų | 133.8 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | cis | -143.8 | -167.9 | 11.7 | -127.2 | 148.5 | 0 | 0 | 0 | 110.9 | ||||
| 307 | S | 26.5 | Very low | 30.7 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | -84.7 | 169.7 | -179.6 | 58.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 308 | A | 28.5 | Very low | 30.4 | Very low | 80 Ų | 80 | 128.2 Ų | 128.2 | 66% | 0.661 | 79% | 0.791 | S | S | * | * | cis | -157.4 | 167.8 | 8.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 309 | S | 25.3 | Very low | 30.1 | Very low | 118 Ų | 118 | 127.8 Ų | 127.8 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | 57.6 | 149 | 161.7 | 47.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 310 | E | 28.2 | Very low | 29.8 | Very low | 188 Ų | 188 | 127.8 Ų | 127.8 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | cis | -127.3 | -170.7 | 12.5 | -64.1 | 178.8 | 123.5 | 0 | 0 | 112.4 | ||||
| 311 | T | 28.6 | Very low | 29.7 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -121.4 | 163.1 | 172.8 | 67 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 312 | P | 36.2 | Very low | 29.3 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | -148.7 | 163.8 | 96 | 39 | -23.1 | 0 | 0 | 0 | 116.8 | |||||
| 313 | N | 30.6 | Very low | 29.1 | Very low | 162 Ų | 162 | 132.7 Ų | 132.7 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | trans | 67.5 | 110.9 | 158 | -59.3 | -23.7 | 0 | 0 | 0 | 119.4 | ||||
| 314 | G | 30.8 | Very low | 28.5 | Very low | 76 Ų | 76 | 133.7 Ų | 133.7 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | trans | -163.3 | 1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 315 | S | 32.6 | Very low | 28.4 | Very low | 125 Ų | 125 | 139.2 Ų | 139.2 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | 69.6 | 145.3 | -178 | -54.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 316 | C | 26.8 | Very low | 28.3 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | trans | -106.4 | 155.5 | -161.7 | -63.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 317 | P | 33.9 | Very low | 28.3 | Very low | 123 Ų | 123 | 139.5 Ų | 139.5 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | trans | -92.2 | -174.3 | 174.1 | 39.4 | -37.1 | 0 | 0 | 0 | 113.4 | ||||
| 318 | S | 25.9 | Very low | 28.3 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -69.9 | 140.6 | -179.4 | 54.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 319 | S | 26.8 | Very low | 28.3 | Very low | 106 Ų | 106 | 143.5 Ų | 143.5 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | -176.2 | 152.3 | 127.2 | -87.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 320 | I | 25.4 | Very low | 28.5 | Very low | 156 Ų | 156 | 144.7 Ų | 144.7 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | 58.8 | 120.4 | 155.9 | -63.2 | 158 | 0 | 0 | 0 | 117.9 | ||||
| 321 | N | 28.7 | Very low | 28.6 | Very low | 159 Ų | 159 | 141.5 Ų | 141.5 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | -150.2 | 151.5 | 126.5 | -129 | -25.7 | 0 | 0 | 0 | 113 | |||||
| 322 | K | 25.6 | Very low | 28.8 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | -118.8 | 169.3 | 171.3 | -104.2 | -172.4 | 175.5 | -177.3 | 0 | 108.4 | ||||
| 323 | H | 26.9 | Very low | 28.4 | Very low | 175 Ų | 175 | 144 Ų | 144 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | 69.8 | 154.9 | -175.6 | -49.4 | -81.8 | 0 | 0 | 0 | 111.1 | ||||
| 324 | I | 29.8 | Very low | 28.6 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | -134 | 149.7 | 50.4 | -72.2 | 154.4 | 0 | 0 | 0 | 111.9 | |||||
| 325 | Y | 25.3 | Very low | 28.6 | Very low | 231 Ų | 231 | 144.2 Ų | 144.2 | 91% | 0.906 | 78% | 0.775 | S | S | * | * | trans | -158 | 78.8 | 136.7 | -116.9 | -62.2 | 0 | 0 | 0 | 113 | ||||
| 326 | Q | 24.7 | Very low | 28.5 | Very low | 146 Ų | 146 | 141.1 Ų | 141.1 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | trans | 172.9 | 142.2 | 160 | -105.6 | -175.1 | 25 | 0 | 0 | 106.6 | ||||
| 327 | R | 26.9 | Very low | 28.7 | Very low | 202 Ų | 202 | 141.9 Ų | 141.9 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | cis | -133.2 | 160.6 | -3.4 | -78.1 | 170.2 | 160 | 83.8 | -14.3 | 108.5 | ||||
| 328 | D | 27 | Very low | 28.4 | Very low | 155 Ų | 155 | 141.3 Ų | 141.3 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | trans | -87.9 | 130.5 | 161.2 | -68.6 | -58 | 0 | 0 | 0 | 111 | ||||
| 329 | S | 27.9 | Very low | 28.6 | Very low | 114 Ų | 114 | 144.2 Ų | 144.2 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | -162.6 | 126.5 | 164.6 | -81.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 330 | I | 30.1 | Very low | 28.8 | Very low | 143 Ų | 143 | 145.1 Ų | 145.1 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | -135.4 | 118.5 | -166.4 | -84 | 178.3 | 0 | 0 | 0 | 113.1 | ||||
| 331 | T | 30.5 | Very low | 28.9 | Very low | 121 Ų | 121 | 143.6 Ų | 143.6 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | trans | 62.9 | 158.7 | 157.2 | 60 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 332 | N | 31.6 | Very low | 29.2 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 63% | 0.631 | 75% | 0.752 | S | S | * | * | cis | -152.3 | 179.4 | -0.2 | -121.8 | -24.7 | 0 | 0 | 0 | 108.2 | ||||
| 333 | F | 29.6 | Very low | 29.5 | Very low | 172 Ų | 172 | 141.8 Ų | 141.8 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | cis | -144.8 | 169.8 | 8.9 | -103.5 | -44.5 | 0 | 0 | 0 | 107.8 | ||||
| 334 | A | 33.1 | Very low | 30 | Very low | 73 Ų | 73 | 141.5 Ų | 141.5 | 60% | 0.603 | 75% | 0.749 | S | S | * | * | 63.1 | 136.8 | 60.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 335 | N | 31.2 | Very low | 30.1 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | cis | -166.5 | 165.2 | -0.5 | -119.7 | 3.9 | 0 | 0 | 0 | 113.7 | ||||
| 336 | G | 30.5 | Very low | 30.6 | Very low | 60 Ų | 60 | 140.4 Ų | 140.4 | 62% | 0.619 | 75% | 0.754 | S | S | * | * | trans | 111 | 122.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 337 | T | 32.2 | Very low | 31.1 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 88% | 0.877 | 75% | 0.749 | S | S | * | * | 82 | 134.4 | 53.8 | 59.5 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 338 | C | 27.4 | Very low | 31.4 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | cis | -174.4 | 152.8 | -11.7 | 52.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 339 | H | 29.3 | Very low | 31.9 | Very low | 169 Ų | 169 | 133.6 Ų | 133.6 | 78% | 0.782 | 74% | 0.739 | S | S | * | * | trans | 72.4 | 135 | 143.4 | -108.3 | 0.6 | 0 | 0 | 0 | 125.5 | ||||
| 340 | L | 30.1 | Very low | 32 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 65% | 0.654 | 74% | 0.735 | S | S | * | * | trans | 64.5 | 153 | 149.4 | -49.2 | -171.8 | 0 | 0 | 0 | 119.8 | ||||
| 341 | D | 29 | Very low | 32.2 | Very low | 124 Ų | 124 | 133.7 Ų | 133.7 | 66% | 0.663 | 74% | 0.736 | S | S | * | * | cis | -164.1 | -174 | -16 | -101.1 | -13.1 | 0 | 0 | 0 | 110.5 | ||||
| 342 | D | 33.9 | Very low | 32.3 | Very low | 157 Ų | 157 | 133.4 Ų | 133.4 | 84% | 0.84 | 73% | 0.734 | S | S | * | * | trans | 72.6 | 151.4 | 163.2 | -58.6 | -28.2 | 0 | 0 | 0 | 121.1 | ||||
| 343 | D | 32.1 | Very low | 32.3 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 70% | 0.695 | 74% | 0.741 | S | S | * | * | cis | -167.6 | -179.9 | -34.9 | -169.9 | 25.4 | 0 | 0 | 0 | 110.3 | ||||
| 344 | H | 38.6 | Very low | 32.1 | Very low | 169 Ų | 169 | 132.4 Ų | 132.4 | 78% | 0.782 | 74% | 0.742 | S | S | * | * | trans | 103.1 | 146.8 | 157.8 | -78.7 | 22.6 | 0 | 0 | 0 | 121.7 | ||||
| 345 | N | 30.7 | Very low | 31.9 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | trans | -94.1 | 156.5 | -172.6 | -77.4 | -78.6 | 0 | 0 | 0 | 114.4 | ||||
| 346 | H | 36.4 | Very low | 31.7 | Very low | 194 Ų | 194 | 133.4 Ų | 133.4 | 90% | 0.898 | 74% | 0.737 | S | S | * | * | -162.5 | 163.8 | 123.4 | -112.2 | -67.5 | 0 | 0 | 0 | 113.7 | |||||
| 347 | S | 34.8 | Very low | 31.5 | Very low | 84 Ų | 84 | 136.2 Ų | 136.2 | 59% | 0.587 | 74% | 0.742 | S | S | * | * | trans | -114.1 | 148.4 | -167.4 | 57 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 348 | N | 33.5 | Very low | 31.1 | Very low | 132 Ų | 132 | 134 Ų | 134 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | 169.1 | 152.1 | 106.8 | -97.3 | -18.3 | 0 | 0 | 0 | 117.1 | |||||
| 349 | H | 36.5 | Very low | 31.1 | Very low | 144 Ų | 144 | 137.6 Ų | 137.6 | 67% | 0.667 | 74% | 0.736 | S | S | * | * | trans | 65.2 | 110.1 | 151.5 | -70 | -48.7 | 0 | 0 | 0 | 123.4 | ||||
| 350 | N | 31.3 | Very low | 30.8 | Very low | 135 Ų | 135 | 134.4 Ų | 134.4 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | 51.3 | 130.5 | 120.8 | -52.5 | 4.4 | 0 | 0 | 0 | 119 | |||||
| 351 | T | 34 | Very low | 30.7 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 76% | 0.761 | 74% | 0.736 | S | S | * | * | -150.7 | 143.6 | 51.9 | 33.7 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 352 | T | 33.4 | Very low | 30.6 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | trans | 12 | 144.5 | 141.8 | 60.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 353 | N | 30 | Very low | 30.4 | Very low | 146 Ų | 146 | 137 Ų | 137 | 78% | 0.781 | 74% | 0.737 | S | S | * | * | cis | -160.5 | 150 | 11.1 | -127.9 | 14.8 | 0 | 0 | 0 | 116.4 | ||||
| 354 | T | 26.7 | Very low | 30.3 | Very low | 124 Ų | 124 | 138.2 Ų | 138.2 | 76% | 0.761 | 74% | 0.742 | S | S | * | * | trans | -163.7 | 140 | 167.1 | 44.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 355 | D | 28 | Very low | 29.7 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | cis | -166.4 | -176.1 | -7.1 | -142.5 | -44.4 | 0 | 0 | 0 | 110.7 | ||||
| 356 | N | 27.4 | Very low | 29.5 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 68% | 0.684 | 74% | 0.742 | S | S | * | * | trans | 75.1 | 123.8 | 151.1 | -78.8 | -43.6 | 0 | 0 | 0 | 123.3 | ||||
| 357 | T | 27 | Very low | 29.1 | Very low | 118 Ų | 118 | 129 Ų | 129 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | trans | 85.1 | 125.4 | 131.7 | 54.5 | 0 | 0 | 0 | 0 | 125 | ||||
| 358 | S | 24.1 | Very low | 28.8 | Very low | 97 Ų | 97 | 131.9 Ų | 131.9 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | trans | 69.6 | 143.9 | 150.4 | 67.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 359 | F | 26.2 | Very low | 28.4 | Very low | 187 Ų | 187 | 133.8 Ų | 133.8 | 82% | 0.82 | 75% | 0.745 | S | S | * | * | cis | -150.2 | 169.1 | 41.6 | -103.8 | -92.3 | 0 | 0 | 0 | 115.6 | ||||
| 360 | T | 23.3 | Very low | 27.8 | Very low | 103 Ų | 103 | 131.9 Ų | 131.9 | 63% | 0.632 | 75% | 0.748 | S | S | * | * | trans | -34 | 147.4 | 170.7 | 52.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 361 | L | 28.2 | Very low | 27.7 | Very low | 155 Ų | 155 | 135.2 Ų | 135.2 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | -170.9 | 170.4 | 106.5 | -132.3 | 85.3 | 0 | 0 | 0 | 113.4 | |||||
| 362 | D | 26.7 | Very low | 27.2 | Very low | 143 Ų | 143 | 137.2 Ų | 137.2 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | trans | -119.8 | 176.3 | -178.6 | -41.6 | -95.9 | 0 | 0 | 0 | 109.4 | ||||
| 363 | E | 28.6 | Very low | 27.3 | Very low | 163 Ų | 163 | 136.6 Ų | 136.6 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | cis | -158.7 | -161.3 | 10.1 | -155.1 | -102.7 | 107.1 | 0 | 0 | 108.7 | ||||
| 364 | L | 30.1 | Very low | 27 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | trans | 94.8 | 125.3 | 162.3 | -60.6 | 170.9 | 0 | 0 | 0 | 118.4 | ||||
| 365 | G | 26.1 | Very low | 27 | Very low | 76 Ų | 76 | 136.6 Ų | 136.6 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | trans | 159.6 | -2.5 | 148.2 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 366 | G | 27.3 | Very low | 26.9 | Very low | 77 Ų | 77 | 134 Ų | 134 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | trans | 71.3 | 177.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 367 | E | 27.1 | Very low | 26.7 | Very low | 168 Ų | 168 | 135.6 Ų | 135.6 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | cis | -157.8 | 162.1 | -11.4 | -132.1 | -161.5 | 128.4 | 0 | 0 | 112.3 | ||||
| 368 | Q | 29.3 | Very low | 26.8 | Very low | 144 Ų | 144 | 135.8 Ų | 135.8 | 67% | 0.673 | 77% | 0.771 | S | S | * | * | trans | 55 | 105.9 | 158 | -59.7 | -173.2 | 29.5 | 0 | 0 | 124.2 | ||||
| 369 | Q | 25 | Very low | 26.8 | Very low | 172 Ų | 172 | 137 Ų | 137 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | 55.1 | 111.5 | 117.2 | -62.3 | -174.5 | 21.7 | 0 | 0 | 123.8 | |||||
| 370 | S | 24.5 | Very low | 26.7 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | 108.2 | 139 | 117 | 81.6 | 0 | 0 | 0 | 0 | 123 | |||||
| 371 | K | 29.2 | Very low | 26.9 | Very low | 206 Ų | 206 | 140.7 Ų | 140.7 | 90% | 0.896 | 79% | 0.791 | S | S | * | * | trans | 77 | 142.1 | 159.6 | -71.3 | -179.4 | 177.4 | 177.2 | 0 | 121.6 | ||||
| 372 | L | 22.2 | Very low | 26.6 | Very low | 166 Ų | 166 | 144.4 Ų | 144.4 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | trans | -63.5 | 174.9 | -179.5 | -96 | 67.6 | 0 | 0 | 0 | 115 | ||||
| 373 | P | 35.7 | Very low | 26.4 | Very low | 101 Ų | 101 | 148.9 Ų | 148.9 | 66% | 0.656 | 80% | 0.803 | S | S | * | * | cis | -135.3 | -170.8 | 8.2 | 34.4 | -12.7 | 0 | 0 | 0 | 116.7 | ||||
| 374 | T | 24.4 | Very low | 26.1 | Very low | 130 Ų | 130 | 145.6 Ų | 145.6 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | trans | 69.5 | 145.6 | 168.6 | 26.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 375 | T | 27.1 | Very low | 25.9 | Very low | 139 Ų | 139 | 147.6 Ų | 147.6 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | cis | -141.4 | -175.2 | 15.9 | -13.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 376 | A | 24.7 | Very low | 25.8 | Very low | 81 Ų | 81 | 151.3 Ų | 151.3 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | trans | -70.8 | 165.2 | -166.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 377 | L | 24.4 | Very low | 25.7 | Very low | 163 Ų | 163 | 155.2 Ų | 155.2 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | 69.3 | 142.3 | 160.1 | -64.8 | 163 | 0 | 0 | 0 | 116.6 | ||||
| 378 | T | 28.9 | Very low | 25.6 | Very low | 122 Ų | 122 | 155.1 Ų | 155.1 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | cis | -144.6 | 149 | 11.3 | -43.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 379 | S | 23.6 | Very low | 25.3 | Very low | 122 Ų | 122 | 154.3 Ų | 154.3 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -104.4 | 111.9 | 177.1 | -57.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 380 | Q | 24 | Very low | 25.3 | Very low | 174 Ų | 174 | 155.7 Ų | 155.7 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | trans | -144.8 | 107.8 | 160.9 | -75.9 | -165.4 | -6.1 | 0 | 0 | 111.9 | ||||
| 381 | H | 27.9 | Very low | 25.4 | Very low | 193 Ų | 193 | 154.9 Ų | 154.9 | 89% | 0.894 | 81% | 0.809 | S | S | * | * | -174.3 | 98.2 | 128.3 | -107.2 | -62.7 | 0 | 0 | 0 | 111.1 | |||||
| 382 | Y | 21.5 | Very low | 25.3 | Very low | 234 Ų | 234 | 149.9 Ų | 149.9 | 92% | 0.918 | 80% | 0.8 | S | S | * | * | trans | -111 | 88.2 | 178.7 | -148.1 | -77.9 | 0 | 0 | 0 | 110.8 | ||||
| 383 | R | 22.1 | Very low | 25.7 | Very low | 237 Ų | 237 | 150 Ų | 150 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | trans | 170.3 | 133.9 | 159.9 | -99.5 | 164.2 | 179.7 | -170.5 | 1.1 | 108.7 | ||||
| 384 | S | 23.3 | Very low | 25.4 | Very low | 94 Ų | 94 | 149.5 Ų | 149.5 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | -171.1 | 155.3 | 67.7 | 59.9 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 385 | K | 25.2 | Very low | 25.8 | Very low | 197 Ų | 197 | 147.6 Ų | 147.6 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | trans | 63.3 | 120.6 | 173.6 | -57.1 | 158.3 | -174.9 | 169.9 | 0 | 112.4 | ||||
| 386 | I | 25.6 | Very low | 26 | Very low | 153 Ų | 153 | 147 Ų | 147 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | S | Bend | -134.3 | 162.9 | 63.8 | -82.9 | 160.2 | 0 | 0 | 0 | 111.8 | |||
| 387 | N | 25.1 | Very low | 26.2 | Very low | 159 Ų | 159 | 148.1 Ų | 148.1 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | trans | 65.9 | 102.5 | 177.6 | -65.2 | -14.7 | 0 | 0 | 0 | 116.7 | ||||
| 388 | L | 23.3 | Very low | 26.8 | Very low | 166 Ų | 166 | 145.6 Ų | 145.6 | 87% | 0.869 | 75% | 0.745 | S | S | * | * | trans | -123.9 | 154.6 | 164.9 | -163.1 | 77.6 | 0 | 0 | 0 | 108 | ||||
| 389 | V | 24.7 | Very low | 27.1 | Very low | 127 Ų | 127 | 145.5 Ų | 145.5 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | trans | 75.7 | 75.4 | 171 | -161.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 390 | K | 25 | Very low | 27.8 | Very low | 202 Ų | 202 | 144.5 Ų | 144.5 | 88% | 0.878 | 73% | 0.725 | S | S | * | * | S | Bend | -164.8 | 148 | 118.2 | -105.6 | 169.1 | -174.7 | 179.2 | 0 | 111.3 | |||
| 391 | S | 26.4 | Very low | 28.7 | Very low | 87 Ų | 87 | 140.1 Ų | 140.1 | 61% | 0.608 | 70% | 0.703 | S | S | * | * | trans | 52.9 | 136.2 | -161 | -154.4 | 0 | 0 | 0 | 0 | 116.2 | D394 | S391-D394 VanDerWaalsContact CB-OD2 3.27Å; S391-D394 WeakPolarHBondContact CB-OD2 3.36Å; S391-D394 PolarHBondContact OG-OD2 2.8Å | ||
| 392 | S | 26.4 | Very low | 29.5 | Very low | 101 Ų | 101 | 140.2 Ų | 140.2 | 71% | 0.706 | 70% | 0.696 | S | S | * | * | trans | -143.1 | 31 | 176.9 | -174.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 393 | K | 30.4 | Very low | 30.9 | Very low | 168 Ų | 168 | 131.6 Ų | 131.6 | 73% | 0.73 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -110 | -23.9 | 178.6 | -74.6 | -174.5 | 172.4 | -177.6 | 0 | 113.4 | ||
| 394 | D | 29 | Very low | 32.5 | Very low | 90 Ų | 90 | 124.8 Ų | 124.8 | 48% | 0.481 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -90.6 | -16 | -162.1 | -42.5 | -61.6 | 0 | 0 | 0 | 113.3 | S391 N398 | S391-D394 VanDerWaalsContact CB-OD2 3.27Å; S391-D394 WeakPolarHBondContact CB-OD2 3.36Å; S391-D394 PolarHBondContact OG-OD2 2.8Å; D394-N398 PolarHBondContact O-ND2 2.8Å |
| 395 | T | 32.7 | Very low | 34.4 | Very low | 90 Ų | 90 | 121.1 Ų | 121.1 | 55% | 0.552 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -71.5 | -45.9 | 174.6 | 35 | 0 | 0 | 0 | 0 | 112.8 | L397 N398 D399 | T395-L397 VanDerWaalsContact C-N 3.28Å; T395-L397 PolarHBondContact O-N 3.43Å; T395-N398 PolarHBondContact O-N 3.47Å; T395-D399 PolarHBondContact O-N 2.83Å; T395-D399 VanDerWaalsContact O-N 3.12Å |
| 396 | I | 32.1 | Very low | 36.7 | Very low | 127 Ų | 127 | 114 Ų | 114 | 65% | 0.651 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.3 | -32.1 | -173.7 | -58.3 | 176.9 | 0 | 0 | 0 | 112 | L400 | I396-L400 WeakPolarHBondContact O-CB 3.39Å |
| 397 | L | 29.2 | Very low | 39.1 | Very low | 104 Ų | 104 | 111.4 Ų | 111.4 | 55% | 0.545 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -75.7 | -39.2 | 176.7 | -83.3 | 164 | 0 | 0 | 0 | 112.8 | T395 L400 F401 | T395-L397 VanDerWaalsContact C-N 3.28Å; T395-L397 PolarHBondContact O-N 3.43Å; L397-L400 PolarHBondContact O-N 2.95Å; L397-F401 PolarHBondContact O-N 2.78Å |
| 398 | N | 35.6 | Very low | 41.8 | Very low | 110 Ų | 110 | 107.3 Ų | 107.3 | 59% | 0.588 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -70.8 | -39.4 | -178.6 | -81.1 | -65.6 | 0 | 0 | 0 | 112.8 | D394 T395 L400 F401 R402 | D394-N398 PolarHBondContact O-ND2 2.8Å; T395-N398 PolarHBondContact O-N 3.47Å; N398-L400 VanDerWaalsContact C-N 3.3Å; N398-L400 PolarHBondContact O-N 3.17Å; N398-F401 PolarHBondContact O-N 3.04Å; N398-R402 PolarHBondContact O-N 3.21Å |
| 399 | D | 37 | Very low | 44.8 | Very low | 120 Ų | 120 | 101.4 Ų | 101.4 | 64% | 0.642 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -72.6 | -21.5 | 178.4 | -72.9 | -35.8 | 0 | 0 | 0 | 113.2 | T395 | T395-D399 PolarHBondContact O-N 2.83Å; T395-D399 VanDerWaalsContact O-N 3.12Å |
| 400 | L | 36.8 | Very low | 47.6 | Very low | 101 Ų | 101 | 96 Ų | 96 | 53% | 0.529 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -87.1 | -15.8 | 178.4 | -165.4 | 65.3 | 0 | 0 | 0 | 113.8 | V235 I396 L397 N398 | V235-L400 HydrophobicContact CG1-CD2 4.45Å; I396-L400 WeakPolarHBondContact O-CB 3.39Å; L397-L400 PolarHBondContact O-N 2.95Å; N398-L400 VanDerWaalsContact C-N 3.3Å; N398-L400 PolarHBondContact O-N 3.17Å |
| 401 | F | 43.2 | Very low | 50.5 | Low | 83 Ų | 83 | 90.1 Ų | 90.1 | 36% | 0.364 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -116.6 | -5.3 | -173.4 | -92.3 | -81 | 0 | 0 | 0 | 115.7 | N239 W260 L397 N398 W403 | N239-F401 VanDerWaalsContact CG-CZ 3.47Å; N239-F401 WeakPolarHBondContact ND2-CE2 3.39Å; N239-F401 WeakPolarHBondContact ND2-CZ 3.32Å; N239-F401 WeakPolarHBondContact OD1-CZ 3.21Å; W260-F401 HydrophobicContact CE3-CZ 4.44Å; W260-F401 HydrophobicContact CZ3-CE1 4.45Å; W260-F401 AromaticContact CZ3-CE2 3.95Å; W260-F401 HydrophobicContact CZ3-CE2 3.95Å; W260-F401 AromaticContact CZ3-CZ 3.65Å; W260-F401 HydrophobicContact CZ3-CZ 3.65Å; L397-F401 PolarHBondContact O-N 2.78Å; N398-F401 PolarHBondContact O-N 3.04Å; F401-W403 PolarHBondContact O-N 3.39Å |
| 402 | R | 44.6 | Very low | 53.6 | Low | 194 Ų | 194 | 90.1 Ų | 90.1 | 73% | 0.732 | 47% | 0.468 | S | S | * | . | trans | -74.5 | 89.7 | 175.8 | -162.6 | 169.7 | 85 | -121 | 7.2 | 111 | N398 | N398-R402 PolarHBondContact O-N 3.21Š| ||
| 403 | W | 50.8 | Low | 56.8 | Low | 54 Ų | 54 | 85.4 Ų | 85.4 | 21% | 0.205 | 43% | 0.434 | C | S | . | . | trans | -52.7 | 136.9 | 163.5 | -127.4 | 83.1 | 0 | 0 | 0 | 108.6 | H247 F401 E405 | H247-W403 HydrophobicContact CB-CH2 4.27Å; H247-W403 HydrophobicContact CB-CZ2 4.08Å; H247-W403 AromaticContact CD2-CH2 3.88Å; F401-W403 PolarHBondContact O-N 3.39Å; W403-E405 HydrophobicContact CE3-CB 3.78Å; W403-E405 HydrophobicContact CZ3-CB 4.14Å; W403-E405 PolarHBondContact O-N 3.42Å; W403-E405 VanDerWaalsContact O-N 3.1Å | ||
| 404 | P | 55.4 | Low | 59.6 | Low | 94 Ų | 94 | 81 Ų | 81 | 61% | 0.61 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -72.2 | -3 | -172 | 28.9 | -37.3 | 0 | 0 | 0 | 114.2 | Q837 | P404-Q837 HydrophobicContact CG-CG 4.23Å; P404-Q837 PolarHBondContact O-NE2 3.05Å |
| 405 | E | 64.8 | Low | 62.7 | Low | 16 Ų | 16 | 81.5 Ų | 81.5 | 8% | 0.075 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -101.9 | 135.5 | 179.6 | -158.4 | 179.6 | -153.1 | 0 | 0 | 111 | W403 I409 R413 | W403-E405 HydrophobicContact CE3-CB 3.78Å; W403-E405 HydrophobicContact CZ3-CB 4.14Å; W403-E405 PolarHBondContact O-N 3.42Å; W403-E405 VanDerWaalsContact O-N 3.1Å; E405-I409 HydrophobicContact CG-CB 3.83Å; E405-I409 HydrophobicContact CG-CG2 4.13Å; E405-I409 WeakPolarHBondContact OE1-CG2 3.3Å; E405-R413 WeakPolarHBondContact OE1-CD 3.27Å; E405-R413 IonicContact OE1-CZ 2.7Å; E405-R413 IonicContact OE1-NE 3.28Å; E405-R413 PolarHBondContact OE1-NE 3.19Å; E405-R413 IonicContact OE1-NH2 3.74Å; E405-R413 IonicContact OE2-CZ 3.28Å; E405-R413 IonicContact OE2-NE 2.69Å; E405-R413 PolarHBondContact OE2-NE 3.17Å; E405-R413 IonicContact OE2-NH2 2.95Å; E405-R413 PolarHBondContact OE2-NH2 2.88Å |
| 406 | A | 72.7 | Confident | 65.6 | Low | 49 Ų | 49 | 77.3 Ų | 77.3 | 41% | 0.405 | 39% | 0.387 | S | S | . | . | trans | -72.2 | 145.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | D408 I409 L410 | A406-D408 VanDerWaalsContact CB-OD1 3.29Å; A406-D408 WeakPolarHBondContact CB-OD1 3.35Å; A406-D408 PolarHBondContact O-N 3.16Å; A406-D408 VanDerWaalsContact O-N 3.16Å; A406-I409 HydrophobicContact CB-CD1 4.16Å; A406-I409 HydrophobicContact CB-CG1 4.23Å; A406-I409 PolarHBondContact O-N 2.85Å; A406-L410 PolarHBondContact O-N 3.02Å | ||
| 407 | V | 76.7 | Confident | 68.6 | Low | 97 Ų | 97 | 72 Ų | 72 | 59% | 0.588 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -58.7 | -32.7 | -173.2 | 179.1 | 0 | 0 | 0 | 0 | 112.4 | L410 L411 | V407-L410 PolarHBondContact O-N 2.91Å; V407-L411 HydrophobicContact CG1-CD1 4.17Å; V407-L411 HydrophobicContact CG1-CG 4.48Å; V407-L411 WeakPolarHBondContact O-CB 3.49Å; V407-L411 VanDerWaalsContact O-CG 3.31Å; V407-L411 WeakPolarHBondContact O-CG 3.47Å; V407-L411 PolarHBondContact O-N 3.25Å |
| 408 | D | 81.6 | Confident | 71.6 | Confident | 73 Ų | 73 | 71.5 Ų | 71.5 | 39% | 0.39 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -68.9 | -33.7 | 177.1 | 75.2 | -60.5 | 0 | 0 | 0 | 112.4 | A406 L411 R412 | A406-D408 VanDerWaalsContact CB-OD1 3.29Å; A406-D408 WeakPolarHBondContact CB-OD1 3.35Å; A406-D408 PolarHBondContact O-N 3.16Å; A406-D408 VanDerWaalsContact O-N 3.16Å; D408-L411 PolarHBondContact O-N 3.49Å; D408-R412 WeakPolarHBondContact O-CD 3.41Å; D408-R412 WeakPolarHBondContact O-CG 3.37Å; D408-R412 PolarHBondContact O-N 2.86Å; D408-R412 IonicContact OD2-CZ 2.73Å; D408-R412 VanDerWaalsContact OD2-CZ 3.28Å; D408-R412 IonicContact OD2-NE 3.4Å; D408-R412 PolarHBondContact OD2-NE 3.46Å; D408-R412 VanDerWaalsContact OD2-NE 3.12Å; D408-R412 IonicContact OD2-NH2 3.16Å; D408-R412 PolarHBondContact OD2-NH2 3.46Å |
| 409 | I | 85 | Confident | 74.5 | Confident | 43 Ų | 43 | 66.9 Ų | 66.9 | 22% | 0.221 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.6 | -41.6 | 175.8 | -46.7 | 174.2 | 0 | 0 | 0 | 110.3 | E405 A406 L411 R412 R413 F436 L835 | E405-I409 HydrophobicContact CG-CB 3.83Å; E405-I409 HydrophobicContact CG-CG2 4.13Å; E405-I409 WeakPolarHBondContact OE1-CG2 3.3Å; A406-I409 HydrophobicContact CB-CD1 4.16Å; A406-I409 HydrophobicContact CB-CG1 4.23Å; A406-I409 PolarHBondContact O-N 2.85Å; I409-L411 VanDerWaalsContact C-N 3.32Å; I409-L411 PolarHBondContact O-N 3.41Å; I409-R412 PolarHBondContact O-N 3.06Å; I409-R413 PolarHBondContact O-N 2.92Å; I409-F436 HydrophobicContact CG2-CE1 3.88Å; I409-F436 HydrophobicContact CG2-CZ 4.39Å; I409-L835 HydrophobicContact CG2-CD1 3.74Å |
| 410 | L | 83.4 | Confident | 77.3 | Confident | 13 Ų | 13 | 61.2 Ų | 61.2 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.8 | -45.2 | 172.3 | -173.9 | 160.5 | 0 | 0 | 0 | 111.1 | L246 A406 V407 R413 R414 | L246-L410 HydrophobicContact CB-CD1 4.09Å; L246-L410 HydrophobicContact CD2-CD1 4.02Å; A406-L410 PolarHBondContact O-N 3.02Å; V407-L410 PolarHBondContact O-N 2.91Å; L410-R413 PolarHBondContact O-N 2.94Å; L410-R414 WeakPolarHBondContact O-CB 3.43Å; L410-R414 PolarHBondContact O-N 3.3Å |
| 411 | L | 87.2 | Confident | 80 | Confident | 78 Ų | 78 | 59.7 Ų | 59.7 | 41% | 0.408 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 176 | -73.2 | 171.4 | 0 | 0 | 0 | 112.4 | L251 V407 D408 I409 R414 H415 | L251-L411 HydrophobicContact CD2-CD2 3.83Å; V407-L411 HydrophobicContact CG1-CD1 4.17Å; V407-L411 HydrophobicContact CG1-CG 4.48Å; V407-L411 WeakPolarHBondContact O-CB 3.49Å; V407-L411 VanDerWaalsContact O-CG 3.31Å; V407-L411 WeakPolarHBondContact O-CG 3.47Å; V407-L411 PolarHBondContact O-N 3.25Å; D408-L411 PolarHBondContact O-N 3.49Å; I409-L411 VanDerWaalsContact C-N 3.32Å; I409-L411 PolarHBondContact O-N 3.41Å; L411-R414 PolarHBondContact O-N 2.95Å; L411-H415 WeakPolarHBondContact O-CB 3.26Å; L411-H415 PolarHBondContact O-N 3Å |
| 412 | R | 92.1 | Very high | 82.5 | Confident | 87 Ų | 87 | 60.6 Ų | 60.6 | 33% | 0.328 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 173.4 | -67 | 160.5 | -159.6 | -129.9 | 14.9 | 111.6 | D408 I409 R414 H415 L416 Y435 F436 | D408-R412 WeakPolarHBondContact O-CD 3.41Å; D408-R412 WeakPolarHBondContact O-CG 3.37Å; D408-R412 PolarHBondContact O-N 2.86Å; D408-R412 IonicContact OD2-CZ 2.73Å; D408-R412 VanDerWaalsContact OD2-CZ 3.28Å; D408-R412 IonicContact OD2-NE 3.4Å; D408-R412 PolarHBondContact OD2-NE 3.46Å; D408-R412 VanDerWaalsContact OD2-NE 3.12Å; D408-R412 IonicContact OD2-NH2 3.16Å; D408-R412 PolarHBondContact OD2-NH2 3.46Å; I409-R412 PolarHBondContact O-N 3.06Å; R412-R414 VanDerWaalsContact C-N 3.34Å; R412-R414 PolarHBondContact O-N 3.24Å; R412-H415 PolarHBondContact O-N 2.95Å; R412-L416 WeakPolarHBondContact O-CB 3.48Å; R412-L416 PolarHBondContact O-N 3.35Å; R412-Y435 HydrophobicContact CB-CD2 4.1Å; R412-Y435 HydrophobicContact CB-CG 4.32Å; R412-Y435 HydrophobicContact CG-CD1 4.3Å; R412-Y435 HydrophobicContact CG-CD2 3.92Å; R412-Y435 HydrophobicContact CG-CE2 4.34Å; R412-Y435 HydrophobicContact CG-CG 3.9Å; R412-F436 HydrophobicContact CB-CE2 4.11Å; R412-F436 HydrophobicContact CB-CZ 3.82Å |
| 413 | R | 91.8 | Very high | 84.9 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.3 | -44.4 | 174.6 | -75.1 | -161.6 | -61.5 | 110.7 | -1.3 | 111.6 | H247 E405 I409 L410 R417 F436 N828 I831 | H247-R413 PolarHBondContact O-NH1 2.83Å; E405-R413 WeakPolarHBondContact OE1-CD 3.27Å; E405-R413 IonicContact OE1-CZ 2.7Å; E405-R413 IonicContact OE1-NE 3.28Å; E405-R413 PolarHBondContact OE1-NE 3.19Å; E405-R413 IonicContact OE1-NH2 3.74Å; E405-R413 IonicContact OE2-CZ 3.28Å; E405-R413 IonicContact OE2-NE 2.69Å; E405-R413 PolarHBondContact OE2-NE 3.17Å; E405-R413 IonicContact OE2-NH2 2.95Å; E405-R413 PolarHBondContact OE2-NH2 2.88Å; I409-R413 PolarHBondContact O-N 2.92Å; L410-R413 PolarHBondContact O-N 2.94Å; R413-R417 WeakPolarHBondContact O-CB 3.32Å; R413-R417 PolarHBondContact O-N 2.89Å; R413-F436 HydrophobicContact CG-CE1 4.35Å; R413-F436 HydrophobicContact CG-CZ 3.86Å; R413-N828 PolarHBondContact NH1-OD1 3.1Å; R413-I831 HydrophobicContact CG-CG2 3.85Å |
| 414 | R | 90.1 | Very high | 87 | Confident | 77 Ų | 77 | 52.6 Ų | 52.6 | 29% | 0.291 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.8 | -48.5 | 177.5 | -175.2 | -173.9 | -178.2 | -178.2 | 9.3 | 111.5 | G249 E252 L410 L411 R412 R417 E418 | G249-R414 PolarHBondContact O-NE 2.94Å; E252-R414 IonicContact OE1-CZ 2.66Å; E252-R414 VanDerWaalsContact OE1-CZ 3.28Å; E252-R414 IonicContact OE1-NH1 3.62Å; E252-R414 PolarHBondContact OE1-NH1 3.46Å; E252-R414 IonicContact OE1-NH2 2.68Å; E252-R414 PolarHBondContact OE1-NH2 3.19Å; E252-R414 IonicContact OE2-CZ 2.69Å; E252-R414 IonicContact OE2-NH1 3.53Å; E252-R414 IonicContact OE2-NH2 3.59Å; E252-R414 PolarHBondContact OE2-NH2 3.16Å; L410-R414 WeakPolarHBondContact O-CB 3.43Å; L410-R414 PolarHBondContact O-N 3.3Å; L411-R414 PolarHBondContact O-N 2.95Å; R412-R414 VanDerWaalsContact C-N 3.34Å; R412-R414 PolarHBondContact O-N 3.24Å; R414-R417 PolarHBondContact O-N 2.92Å; R414-E418 WeakPolarHBondContact O-CB 3.42Å; R414-E418 PolarHBondContact O-N 3.18Å |
| 415 | H | 93.5 | Very high | 88.9 | Confident | 100 Ų | 100 | 48.2 Ų | 48.2 | 46% | 0.463 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.7 | -42.7 | -179.2 | -172.7 | 50 | 0 | 0 | 0 | 112.1 | L411 R412 E418 T419 Q431 | L411-H415 WeakPolarHBondContact O-CB 3.26Å; L411-H415 PolarHBondContact O-N 3Å; R412-H415 PolarHBondContact O-N 2.95Å; H415-E418 PolarHBondContact O-N 2.97Å; H415-T419 WeakPolarHBondContact O-CB 3.47Å; H415-T419 PolarHBondContact O-N 2.54Å; H415-T419 PolarHBondContact O-OG1 3.1Å; H415-Q431 VanDerWaalsContact CD2-CD 3.47Å; H415-Q431 PolarHBondContact CD2-OE1 2.87Å; H415-Q431 PolarHBondContact NE2-NE2 3.04Å |
| 416 | L | 94.7 | Very high | 90.4 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 175.8 | 175.8 | 56.3 | 0 | 0 | 0 | 112 | R412 E418 T419 I420 A428 Q431 L432 F436 V827 I831 | R412-L416 WeakPolarHBondContact O-CB 3.48Å; R412-L416 PolarHBondContact O-N 3.35Å; L416-E418 VanDerWaalsContact C-N 3.33Å; L416-E418 PolarHBondContact O-N 3.16Å; L416-T419 WeakPolarHBondContact O-CB 3.44Å; L416-T419 PolarHBondContact O-N 3.11Å; L416-I420 HydrophobicContact CD1-CD1 4Å; L416-I420 HydrophobicContact CD1-CG1 4.3Å; L416-I420 HydrophobicContact CG-CD1 4.13Å; L416-I420 WeakPolarHBondContact O-CG1 3.26Å; L416-I420 PolarHBondContact O-N 2.66Å; L416-A428 HydrophobicContact CD1-CB 3.68Å; L416-A428 VanDerWaalsContact CD1-O 3.24Å; L416-A428 WeakPolarHBondContact CD1-O 3.47Å; L416-Q431 VanDerWaalsContact CA-OE1 3.24Å; L416-Q431 HydrophobicContact CD1-CB 4.1Å; L416-L432 HydrophobicContact CD2-CB 4.44Å; L416-L432 HydrophobicContact CD2-CD1 4.02Å; L416-F436 HydrophobicContact CD2-CD2 3.95Å; L416-F436 HydrophobicContact CD2-CE2 3.9Å; L416-V827 HydrophobicContact CD2-CG1 4.35Å; L416-I831 HydrophobicContact CD2-CD1 3.58Å |
| 417 | R | 93.5 | Very high | 91.5 | Very high | 16 Ų | 16 | 52 Ų | 52 | 6% | 0.06 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.1 | -45.1 | 173.6 | -88.2 | 172.2 | 45.3 | -145.5 | -8.2 | 112.6 | N248 R413 R414 T419 I420 R421 A824 N828 | N248-R417 VanDerWaalsContact O-CZ 3.24Å; N248-R417 PolarHBondContact O-NH1 3.24Å; N248-R417 PolarHBondContact O-NH2 3.09Å; R413-R417 WeakPolarHBondContact O-CB 3.32Å; R413-R417 PolarHBondContact O-N 2.89Å; R414-R417 PolarHBondContact O-N 2.92Å; R417-T419 VanDerWaalsContact C-N 3.34Å; R417-I420 PolarHBondContact O-N 2.68Å; R417-R421 WeakPolarHBondContact O-CB 3.26Å; R417-R421 VanDerWaalsContact O-CG 3.25Å; R417-R421 WeakPolarHBondContact O-CG 3.41Å; R417-R421 PolarHBondContact O-N 3.18Å; R417-A824 HydrophobicContact CB-CB 4.33Å; R417-A824 HydrophobicContact CG-CB 4.18Å; R417-A824 WeakPolarHBondContact CG-O 3.47Å; R417-N828 VanDerWaalsContact CD-CB 3.5Å; R417-N828 VanDerWaalsContact CD-OD1 3.25Å; R417-N828 WeakPolarHBondContact CD-OD1 3.29Å; R417-N828 HydrophobicContact CG-CB 3.83Å |
| 418 | E | 93.4 | Very high | 92.5 | Very high | 93 Ų | 93 | 47.3 Ų | 47.3 | 44% | 0.435 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.1 | -38.5 | -179.9 | -167.1 | 53 | -142.1 | 0 | 0 | 111.4 | R414 H415 L416 I420 R421 N422 | R414-E418 WeakPolarHBondContact O-CB 3.42Å; R414-E418 PolarHBondContact O-N 3.18Å; H415-E418 PolarHBondContact O-N 2.97Å; L416-E418 VanDerWaalsContact C-N 3.33Å; L416-E418 PolarHBondContact O-N 3.16Å; E418-I420 PolarHBondContact O-N 3.1Å; E418-R421 PolarHBondContact O-N 3.12Å; E418-N422 PolarHBondContact O-N 3.42Å; E418-N422 PolarHBondContact O-ND2 3.01Å; E418-N422 PolarHBondContact OE1-ND2 3.41Å |
| 419 | T | 96.6 | Very high | 93.2 | Very high | 13 Ų | 13 | 44.5 Ų | 44.5 | 8% | 0.08 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.8 | -43.8 | 174.6 | -52.9 | 0 | 0 | 0 | 0 | 111.2 | H415 L416 R417 N422 G423 D424 A428 Q431 | H415-T419 WeakPolarHBondContact O-CB 3.47Å; H415-T419 PolarHBondContact O-N 2.54Å; H415-T419 PolarHBondContact O-OG1 3.1Å; L416-T419 WeakPolarHBondContact O-CB 3.44Å; L416-T419 PolarHBondContact O-N 3.11Å; R417-T419 VanDerWaalsContact C-N 3.34Å; T419-N422 PolarHBondContact O-N 3.44Å; T419-G423 PolarHBondContact O-N 2.85Å; T419-G423 VanDerWaalsContact O-N 3.09Å; T419-D424 HydrophobicContact CG2-CB 3.99Å; T419-D424 VanDerWaalsContact CG2-O 3.31Å; T419-D424 WeakPolarHBondContact CG2-O 3.49Å; T419-D424 PolarHBondContact O-N 3.16Å; T419-D424 VanDerWaalsContact O-N 3.09Å; T419-A428 HydrophobicContact CG2-CB 4.04Å; T419-Q431 PolarHBondContact OG1-NE2 3.31Å |
| 420 | I | 96.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.4 | -40.7 | 174.4 | -62.6 | 164.7 | 0 | 0 | 0 | 111.7 | L416 R417 E418 N422 G423 Y425 A428 L450 L823 A824 V827 | L416-I420 HydrophobicContact CD1-CD1 4Å; L416-I420 HydrophobicContact CD1-CG1 4.3Å; L416-I420 HydrophobicContact CG-CD1 4.13Å; L416-I420 WeakPolarHBondContact O-CG1 3.26Å; L416-I420 PolarHBondContact O-N 2.66Å; R417-I420 PolarHBondContact O-N 2.68Å; E418-I420 PolarHBondContact O-N 3.1Å; I420-N422 VanDerWaalsContact C-N 3.32Å; I420-N422 PolarHBondContact O-N 3.3Å; I420-G423 WeakPolarHBondContact O-CA 3.39Å; I420-G423 PolarHBondContact O-N 3.37Å; I420-Y425 HydrophobicContact CG2-CD1 4.49Å; I420-Y425 HydrophobicContact CG2-CE1 4.23Å; I420-A428 HydrophobicContact CD1-CB 4.43Å; I420-A428 HydrophobicContact CG1-CB 3.61Å; I420-L450 HydrophobicContact CD1-CD2 4.02Å; I420-L450 HydrophobicContact CG1-CD2 3.99Å; I420-L823 HydrophobicContact CG2-CB 4.29Å; I420-L823 HydrophobicContact CG2-CD2 4.19Å; I420-L823 HydrophobicContact CG2-CG 4.07Å; I420-A824 HydrophobicContact CB-CB 3.94Å; I420-A824 HydrophobicContact CG2-CB 3.8Å; I420-V827 HydrophobicContact CD1-CB 4.08Å; I420-V827 HydrophobicContact CD1-CG1 4.02Å; I420-V827 HydrophobicContact CD1-CG2 4.22Å |
| 421 | R | 93.6 | Very high | 94.4 | Very high | 69 Ų | 69 | 46.7 Ų | 46.7 | 26% | 0.26 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.4 | -34.6 | 178.1 | -74.8 | 168.1 | 178.5 | -159 | -5 | 112.7 | R417 E418 G423 R820 A824 D825 | R417-R421 WeakPolarHBondContact O-CB 3.26Å; R417-R421 VanDerWaalsContact O-CG 3.25Å; R417-R421 WeakPolarHBondContact O-CG 3.41Å; R417-R421 PolarHBondContact O-N 3.18Å; E418-R421 PolarHBondContact O-N 3.12Å; R421-G423 VanDerWaalsContact C-N 3.29Å; R421-R820 WeakPolarHBondContact O-CD 3.3Å; R421-R820 PolarHBondContact O-NH1 2.82Å; R421-A824 HydrophobicContact CG-CB 3.74Å; R421-D825 IonicContact CZ-OD1 2.89Å; R421-D825 IonicContact NH2-OD1 3.9Å; R421-D825 PolarHBondContact NH2-OD1 3.23Å |
| 422 | N | 94.5 | Very high | 94.8 | Very high | 102 Ų | 102 | 43 Ų | 43 | 55% | 0.545 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -77.6 | -14.1 | 170.8 | -70.1 | -68 | 0 | 0 | 0 | 113.3 | E418 T419 I420 R820 | E418-N422 PolarHBondContact O-N 3.42Å; E418-N422 PolarHBondContact O-ND2 3.01Å; E418-N422 PolarHBondContact OE1-ND2 3.41Å; T419-N422 PolarHBondContact O-N 3.44Å; I420-N422 VanDerWaalsContact C-N 3.32Å; I420-N422 PolarHBondContact O-N 3.3Å; N422-R820 PolarHBondContact O-NH1 2.82Å; N422-R820 PolarHBondContact O-NH2 2.84Å |
| 423 | G | 94.5 | Very high | 94.9 | Very high | 9 Ų | 9 | 43.3 Ų | 43.3 | 9% | 0.093 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 21.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | T419 I420 R421 Y425 | T419-G423 PolarHBondContact O-N 2.85Å; T419-G423 VanDerWaalsContact O-N 3.09Å; I420-G423 WeakPolarHBondContact O-CA 3.39Å; I420-G423 PolarHBondContact O-N 3.37Å; R421-G423 VanDerWaalsContact C-N 3.29Å; G423-Y425 VanDerWaalsContact C-N 3.27Å; G423-Y425 WeakPolarHBondContact O-CD2 3.29Å; G423-Y425 WeakPolarHBondContact O-CE2 3.34Å; G423-Y425 PolarHBondContact O-N 3.1Å; G423-Y425 VanDerWaalsContact O-N 3.16Å |
| 424 | D | 95.6 | Very high | 95.1 | Very high | 71 Ų | 71 | 47.1 Ų | 47.1 | 38% | 0.38 | 24% | 0.237 | S | C | . | . | trans | -85.6 | 72.9 | 169.2 | -176.6 | -2.1 | 0 | 0 | 0 | 109.5 | T419 L426 S427 A428 | T419-D424 HydrophobicContact CG2-CB 3.99Å; T419-D424 VanDerWaalsContact CG2-O 3.31Å; T419-D424 WeakPolarHBondContact CG2-O 3.49Å; T419-D424 PolarHBondContact O-N 3.16Å; T419-D424 VanDerWaalsContact O-N 3.09Å; D424-L426 PolarHBondContact O-N 3.21Å; D424-L426 PolarHBondContact OD1-N 3.4Å; D424-S427 VanDerWaalsContact CG-CB 3.43Å; D424-S427 VanDerWaalsContact CG-OG 3.23Å; D424-S427 PolarHBondContact O-N 3.4Å; D424-S427 PolarHBondContact OD1-N 3.42Å; D424-S427 PolarHBondContact OD1-OG 2.81Å; D424-S427 WeakPolarHBondContact OD2-CB 3.49Å; D424-S427 PolarHBondContact OD2-OG 3.47Å; D424-A428 WeakPolarHBondContact O-CB 3.45Å; D424-A428 PolarHBondContact O-N 3.18Å | ||
| 425 | Y | 96.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.3 | -19.1 | -178 | -45.9 | -83.5 | 0 | 0 | 0 | 112.8 | I420 G423 L429 L450 H453 H454 D457 R820 L823 | I420-Y425 HydrophobicContact CG2-CD1 4.49Å; I420-Y425 HydrophobicContact CG2-CE1 4.23Å; G423-Y425 VanDerWaalsContact C-N 3.27Å; G423-Y425 WeakPolarHBondContact O-CD2 3.29Å; G423-Y425 WeakPolarHBondContact O-CE2 3.34Å; G423-Y425 PolarHBondContact O-N 3.1Å; G423-Y425 VanDerWaalsContact O-N 3.16Å; Y425-L429 WeakPolarHBondContact O-CB 3.43Å; Y425-L429 WeakPolarHBondContact O-CD1 3.37Å; Y425-L429 WeakPolarHBondContact O-CG 3.24Å; Y425-L429 PolarHBondContact O-N 3.06Å; Y425-L450 HydrophobicContact CD1-CD2 3.96Å; Y425-H453 HydrophobicContact CD1-CB 4.2Å; Y425-H453 HydrophobicContact CE1-CB 3.68Å; Y425-H453 HydrophobicContact CE2-CB 4.42Å; Y425-H453 WeakPolarHBondContact CE2-O 3.3Å; Y425-H454 HydrophobicContact CD2-CB 3.74Å; Y425-H454 AromaticContact CD2-ND1 3.86Å; Y425-H454 HydrophobicContact CG-CB 4.13Å; Y425-D457 HydrophobicContact CE2-CB 3.87Å; Y425-D457 WeakPolarHBondContact CE2-OD2 3.35Å; Y425-D457 PolarHBondContact OH-OD2 3.5Å; Y425-R820 WeakPolarHBondContact OH-CG 3.41Å; Y425-L823 HydrophobicContact CD1-CD2 4.41Å; Y425-L823 HydrophobicContact CE1-CD2 4.07Å |
| 426 | L | 95.4 | Very high | 95.3 | Very high | 93 Ų | 93 | 43.8 Ų | 43.8 | 49% | 0.487 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -73.6 | -48.1 | 177.9 | -61.7 | -177.4 | 0 | 0 | 0 | 110.4 | D424 A428 L429 D430 | D424-L426 PolarHBondContact O-N 3.21Å; D424-L426 PolarHBondContact OD1-N 3.4Å; L426-A428 VanDerWaalsContact C-N 3.3Å; L426-A428 PolarHBondContact O-N 3.38Å; L426-L429 PolarHBondContact O-N 2.8Å; L426-D430 PolarHBondContact O-N 3.45Å; L426-D430 VanDerWaalsContact O-N 3.1Å |
| 427 | S | 96.7 | Very high | 95.2 | Very high | 51 Ų | 51 | 49.3 Ų | 49.3 | 36% | 0.357 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.5 | -35.2 | 170.6 | -61.3 | 0 | 0 | 0 | 0 | 112 | D424 L429 D430 Q431 | D424-S427 VanDerWaalsContact CG-CB 3.43Å; D424-S427 VanDerWaalsContact CG-OG 3.23Å; D424-S427 PolarHBondContact O-N 3.4Å; D424-S427 PolarHBondContact OD1-N 3.42Å; D424-S427 PolarHBondContact OD1-OG 2.81Å; D424-S427 WeakPolarHBondContact OD2-CB 3.49Å; D424-S427 PolarHBondContact OD2-OG 3.47Å; S427-L429 VanDerWaalsContact C-N 3.34Å; S427-L429 PolarHBondContact O-N 2.93Å; S427-D430 PolarHBondContact O-N 2.87Å; S427-Q431 WeakPolarHBondContact O-CB 3.34Å; S427-Q431 VanDerWaalsContact O-CG 3.27Å; S427-Q431 WeakPolarHBondContact O-CG 3.36Å; S427-Q431 PolarHBondContact O-N 3.45Å |
| 428 | A | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.9 | -38.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | L416 T419 I420 D424 L426 L432 | L416-A428 HydrophobicContact CD1-CB 3.68Å; L416-A428 VanDerWaalsContact CD1-O 3.24Å; L416-A428 WeakPolarHBondContact CD1-O 3.47Å; T419-A428 HydrophobicContact CG2-CB 4.04Å; I420-A428 HydrophobicContact CD1-CB 4.43Å; I420-A428 HydrophobicContact CG1-CB 3.61Å; D424-A428 WeakPolarHBondContact O-CB 3.45Å; D424-A428 PolarHBondContact O-N 3.18Å; L426-A428 VanDerWaalsContact C-N 3.3Å; L426-A428 PolarHBondContact O-N 3.38Å; A428-L432 WeakPolarHBondContact O-CB 3.44Å; A428-L432 PolarHBondContact O-N 2.97Å |
| 429 | L | 96.5 | Very high | 95 | Very high | 14 Ų | 14 | 48.4 Ų | 48.4 | 7% | 0.073 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66 | -43.5 | 174.8 | -76.4 | 166 | 0 | 0 | 0 | 111.4 | Y425 L426 S427 L432 K433 W440 T447 L450 K451 | Y425-L429 WeakPolarHBondContact O-CB 3.43Å; Y425-L429 WeakPolarHBondContact O-CD1 3.37Å; Y425-L429 WeakPolarHBondContact O-CG 3.24Å; Y425-L429 PolarHBondContact O-N 3.06Å; L426-L429 PolarHBondContact O-N 2.8Å; S427-L429 VanDerWaalsContact C-N 3.34Å; S427-L429 PolarHBondContact O-N 2.93Å; L429-L432 PolarHBondContact O-N 3.23Å; L429-K433 WeakPolarHBondContact O-CB 3.41Å; L429-K433 PolarHBondContact O-N 2.98Å; L429-W440 HydrophobicContact CB-CH2 4.16Å; L429-W440 HydrophobicContact CB-CZ3 3.88Å; L429-W440 HydrophobicContact CD2-CH2 3.94Å; L429-W440 HydrophobicContact CD2-CZ3 3.53Å; L429-W440 HydrophobicContact CG-CZ3 4.32Å; L429-W440 WeakPolarHBondContact O-CZ3 3.41Å; L429-T447 HydrophobicContact CD2-CG2 3.94Å; L429-L450 HydrophobicContact CD2-CB 3.87Å; L429-L450 HydrophobicContact CD2-CD1 3.75Å; L429-L450 HydrophobicContact CD2-CG 4.47Å; L429-L450 HydrophobicContact CG-CB 4.2Å; L429-L450 HydrophobicContact CG-CD1 4.3Å; L429-K451 HydrophobicContact CD1-CG 3.97Å |
| 430 | D | 96.4 | Very high | 94.7 | Very high | 84 Ų | 84 | 51 Ų | 51 | 45% | 0.449 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 175.7 | -167.5 | 79.4 | 0 | 0 | 0 | 112.2 | L426 S427 L432 K433 T434 | L426-D430 PolarHBondContact O-N 3.45Å; L426-D430 VanDerWaalsContact O-N 3.1Å; S427-D430 PolarHBondContact O-N 2.87Å; D430-L432 VanDerWaalsContact C-N 3.32Å; D430-L432 PolarHBondContact O-N 3.06Å; D430-K433 WeakPolarHBondContact O-CB 3.13Å; D430-K433 PolarHBondContact O-N 3.21Å; D430-T434 WeakPolarHBondContact O-CB 3.44Å; D430-T434 PolarHBondContact O-N 3.06Å; D430-T434 PolarHBondContact O-OG1 3.24Å; D430-T434 VanDerWaalsContact O-OG1 3.05Å; D430-T434 PolarHBondContact OD2-OG1 3.21Å |
| 431 | Q | 96.3 | Very high | 94.4 | Very high | 17 Ų | 17 | 56 Ų | 56 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59 | -41.3 | 173.2 | -73.2 | 175.6 | 43.6 | 0 | 0 | 112.3 | H415 L416 T419 S427 T434 Y435 | H415-Q431 VanDerWaalsContact CD2-CD 3.47Å; H415-Q431 PolarHBondContact CD2-OE1 2.87Å; H415-Q431 PolarHBondContact NE2-NE2 3.04Å; L416-Q431 VanDerWaalsContact CA-OE1 3.24Å; L416-Q431 HydrophobicContact CD1-CB 4.1Å; T419-Q431 PolarHBondContact OG1-NE2 3.31Å; S427-Q431 WeakPolarHBondContact O-CB 3.34Å; S427-Q431 VanDerWaalsContact O-CG 3.27Å; S427-Q431 WeakPolarHBondContact O-CG 3.36Å; S427-Q431 PolarHBondContact O-N 3.45Å; Q431-T434 PolarHBondContact O-N 2.79Å; Q431-Y435 HydrophobicContact CB-CD2 4.05Å; Q431-Y435 HydrophobicContact CB-CE2 4.19Å; Q431-Y435 HydrophobicContact CG-CD2 4.35Å; Q431-Y435 HydrophobicContact CG-CE2 3.97Å; Q431-Y435 VanDerWaalsContact O-CB 3.25Å; Q431-Y435 WeakPolarHBondContact O-CB 3.24Å; Q431-Y435 WeakPolarHBondContact O-CD2 3.35Å; Q431-Y435 PolarHBondContact O-N 2.93Å |
| 432 | L | 95.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.6 | -45 | 176.4 | -173.7 | 71.2 | 0 | 0 | 0 | 111.3 | L416 A428 L429 D430 F436 K437 L439 W440 I446 L450 I831 | L416-L432 HydrophobicContact CD2-CB 4.44Å; L416-L432 HydrophobicContact CD2-CD1 4.02Å; A428-L432 WeakPolarHBondContact O-CB 3.44Å; A428-L432 PolarHBondContact O-N 2.97Å; L429-L432 PolarHBondContact O-N 3.23Å; D430-L432 VanDerWaalsContact C-N 3.32Å; D430-L432 PolarHBondContact O-N 3.06Å; L432-F436 HydrophobicContact CD1-CB 4.06Å; L432-F436 HydrophobicContact CD1-CD2 4.33Å; L432-F436 CarbonylContact O-C 3.57Å; L432-F436 VanDerWaalsContact O-CA 3.28Å; L432-F436 WeakPolarHBondContact O-CA 3.32Å; L432-F436 WeakPolarHBondContact O-CB 3.47Å; L432-F436 PolarHBondContact O-N 3.19Å; L432-K437 PolarHBondContact O-N 3.27Å; L432-L439 HydrophobicContact CD1-CD2 4.42Å; L432-W440 HydrophobicContact CB-CE3 4.06Å; L432-W440 HydrophobicContact CD2-CE3 3.89Å; L432-W440 HydrophobicContact CD2-CZ3 4.45Å; L432-W440 HydrophobicContact CG-CE3 4.03Å; L432-I446 HydrophobicContact CD2-CB 4.46Å; L432-I446 HydrophobicContact CD2-CG2 3.57Å; L432-L450 HydrophobicContact CD2-CD1 4.05Å; L432-I831 HydrophobicContact CD1-CD1 4.31Å |
| 433 | K | 95.3 | Very high | 93.9 | Very high | 95 Ų | 95 | 53.6 Ų | 53.6 | 41% | 0.413 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 176.2 | -179.3 | -173.5 | 170.2 | -162.9 | 0 | 112.8 | L429 D430 K437 W440 | L429-K433 WeakPolarHBondContact O-CB 3.41Å; L429-K433 PolarHBondContact O-N 2.98Å; D430-K433 WeakPolarHBondContact O-CB 3.13Å; D430-K433 PolarHBondContact O-N 3.21Å; K433-K437 WeakPolarHBondContact O-CA 3.32Å; K433-K437 WeakPolarHBondContact O-CB 3.48Å; K433-W440 HydrophobicContact CB-CD2 3.7Å; K433-W440 HydrophobicContact CB-CE3 3.71Å; K433-W440 HydrophobicContact CB-CG 4.19Å; K433-W440 HydrophobicContact CB-CH2 4.35Å; K433-W440 HydrophobicContact CB-CZ2 4.35Å; K433-W440 HydrophobicContact CB-CZ3 4.04Å; K433-W440 HydrophobicContact CD-CZ2 4.33Å; K433-W440 HydrophobicContact CG-CD2 4.18Å; K433-W440 HydrophobicContact CG-CG 4.46Å; K433-W440 HydrophobicContact CG-CZ2 4.46Å |
| 434 | T | 95.7 | Very high | 93.8 | Very high | 81 Ų | 81 | 55.1 Ų | 55.1 | 50% | 0.497 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -81.2 | -38.2 | -173.7 | -66.2 | 0 | 0 | 0 | 0 | 112.5 | D430 Q431 | D430-T434 WeakPolarHBondContact O-CB 3.44Å; D430-T434 PolarHBondContact O-N 3.06Å; D430-T434 PolarHBondContact O-OG1 3.24Å; D430-T434 VanDerWaalsContact O-OG1 3.05Å; D430-T434 PolarHBondContact OD2-OG1 3.21Å; Q431-T434 PolarHBondContact O-N 2.79Å |
| 435 | Y | 93.9 | Very high | 93.6 | Very high | 98 Ų | 98 | 51.8 Ų | 51.8 | 38% | 0.384 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -101.6 | -27.6 | -175.8 | -59.6 | -34.4 | 0 | 0 | 0 | 114.5 | R412 Q431 | R412-Y435 HydrophobicContact CB-CD2 4.1Å; R412-Y435 HydrophobicContact CB-CG 4.32Å; R412-Y435 HydrophobicContact CG-CD1 4.3Å; R412-Y435 HydrophobicContact CG-CD2 3.92Å; R412-Y435 HydrophobicContact CG-CE2 4.34Å; R412-Y435 HydrophobicContact CG-CG 3.9Å; Q431-Y435 HydrophobicContact CB-CD2 4.05Å; Q431-Y435 HydrophobicContact CB-CE2 4.19Å; Q431-Y435 HydrophobicContact CG-CD2 4.35Å; Q431-Y435 HydrophobicContact CG-CE2 3.97Å; Q431-Y435 VanDerWaalsContact O-CB 3.25Å; Q431-Y435 WeakPolarHBondContact O-CB 3.24Å; Q431-Y435 WeakPolarHBondContact O-CD2 3.35Å; Q431-Y435 PolarHBondContact O-N 2.93Å |
| 436 | F | 93.9 | Very high | 93.5 | Very high | 10 Ų | 10 | 51.8 Ų | 51.8 | 4% | 0.044 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -126.9 | 38.6 | -175.3 | -55.8 | -74.9 | 0 | 0 | 0 | 111.1 | I409 R412 R413 L416 L432 T438 L439 W440 I831 | I409-F436 HydrophobicContact CG2-CE1 3.88Å; I409-F436 HydrophobicContact CG2-CZ 4.39Å; R412-F436 HydrophobicContact CB-CE2 4.11Å; R412-F436 HydrophobicContact CB-CZ 3.82Å; R413-F436 HydrophobicContact CG-CE1 4.35Å; R413-F436 HydrophobicContact CG-CZ 3.86Å; L416-F436 HydrophobicContact CD2-CD2 3.95Å; L416-F436 HydrophobicContact CD2-CE2 3.9Å; L432-F436 HydrophobicContact CD1-CB 4.06Å; L432-F436 HydrophobicContact CD1-CD2 4.33Å; L432-F436 CarbonylContact O-C 3.57Å; L432-F436 VanDerWaalsContact O-CA 3.28Å; L432-F436 WeakPolarHBondContact O-CA 3.32Å; L432-F436 WeakPolarHBondContact O-CB 3.47Å; L432-F436 PolarHBondContact O-N 3.19Å; F436-T438 VanDerWaalsContact C-N 3.26Å; F436-T438 PolarHBondContact O-N 3.29Å; F436-L439 HydrophobicContact CB-CB 4.38Å; F436-L439 WeakPolarHBondContact O-CA 3.48Å; F436-L439 WeakPolarHBondContact O-CB 3.47Å; F436-L439 PolarHBondContact O-N 2.85Å; F436-W440 PolarHBondContact O-N 3.5Å; F436-W440 VanDerWaalsContact O-N 3.08Å; F436-I831 HydrophobicContact CD1-CG1 4.41Å; F436-I831 HydrophobicContact CD1-CG2 3.65Å; F436-I831 HydrophobicContact CD2-CD1 4Å; F436-I831 HydrophobicContact CD2-CG1 4.49Å; F436-I831 HydrophobicContact CE1-CG2 3.43Å; F436-I831 VanDerWaalsContact CE1-CG2 3.43Å; F436-I831 HydrophobicContact CE2-CD1 4Å; F436-I831 HydrophobicContact CG-CD1 4.32Å; F436-I831 HydrophobicContact CG-CG1 4.32Å; F436-I831 HydrophobicContact CG-CG2 4.35Å; F436-I831 HydrophobicContact CZ-CD1 4.32Å; F436-I831 HydrophobicContact CZ-CG2 3.99Å |
| 437 | K | 92.2 | Very high | 93.4 | Very high | 118 Ų | 118 | 48.1 Ų | 48.1 | 51% | 0.513 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -43.2 | -45.7 | -174.3 | -176 | -179.5 | 168.8 | -177.7 | 0 | 114.4 | L432 K433 L439 W440 E441 | L432-K437 PolarHBondContact O-N 3.27Å; K433-K437 WeakPolarHBondContact O-CA 3.32Å; K433-K437 WeakPolarHBondContact O-CB 3.48Å; K437-L439 VanDerWaalsContact C-N 3.28Å; K437-L439 PolarHBondContact O-N 3.12Å; K437-W440 WeakPolarHBondContact O-CB 3.37Å; K437-W440 PolarHBondContact O-N 2.99Å; K437-E441 WeakPolarHBondContact CE-OE1 3.38Å; K437-E441 VanDerWaalsContact CE-OE2 3.26Å; K437-E441 WeakPolarHBondContact CE-OE2 3.41Å; K437-E441 HydrophobicContact CG-CG 4.41Å; K437-E441 IonicContact NZ-OE1 2.77Å; K437-E441 PolarHBondContact NZ-OE1 3Å; K437-E441 WeakPolarHBondContact O-CG 3.47Å; K437-E441 PolarHBondContact O-N 3.34Å |
| 438 | T | 90.7 | Very high | 93.3 | Very high | 81 Ų | 81 | 45.9 Ų | 45.9 | 50% | 0.497 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -71.1 | -19.8 | -178.7 | 48.3 | 0 | 0 | 0 | 0 | 114 | F436 N442 H834 | F436-T438 VanDerWaalsContact C-N 3.26Å; F436-T438 PolarHBondContact O-N 3.29Å; T438-N442 VanDerWaalsContact O-CB 3.25Å; T438-N442 WeakPolarHBondContact O-CB 3.4Å; T438-N442 PolarHBondContact O-N 3.36Å; T438-N442 PolarHBondContact O-ND2 3.38Å; T438-H834 VanDerWaalsContact C-CE1 3.45Å; T438-H834 PolarHBondContact O-CE1 2.86Å; T438-H834 PolarHBondContact OG1-NE2 3.49Å |
| 439 | L | 91.6 | Very high | 93.1 | Very high | 9 Ų | 9 | 45.9 Ų | 45.9 | 5% | 0.047 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -81.6 | -42 | 168.4 | -179.7 | 58.2 | 0 | 0 | 0 | 110.6 | L432 F436 K437 E441 N442 D443 I446 I831 H834 | L432-L439 HydrophobicContact CD1-CD2 4.42Å; F436-L439 HydrophobicContact CB-CB 4.38Å; F436-L439 WeakPolarHBondContact O-CA 3.48Å; F436-L439 WeakPolarHBondContact O-CB 3.47Å; F436-L439 PolarHBondContact O-N 2.85Å; K437-L439 VanDerWaalsContact C-N 3.28Å; K437-L439 PolarHBondContact O-N 3.12Å; L439-E441 VanDerWaalsContact C-N 3.26Å; L439-E441 PolarHBondContact O-N 3.34Å; L439-N442 PolarHBondContact O-N 3.47Å; L439-D443 HydrophobicContact CD1-CB 4.18Å; L439-D443 PolarHBondContact O-N 3.32Å; L439-I446 HydrophobicContact CD1-CD1 3.7Å; L439-I446 HydrophobicContact CD2-CD1 3.86Å; L439-I446 HydrophobicContact CG-CD1 3.74Å; L439-I831 HydrophobicContact CD2-CB 4.26Å; L439-I831 HydrophobicContact CD2-CG1 3.5Å; L439-H834 HydrophobicContact CD1-CB 4.07Å; L439-H834 HydrophobicContact CD2-CB 4.37Å; L439-H834 PolarHBondContact N-CE1 2.96Å; L439-H834 PolarHBondContact N-NE2 2.97Å |
| 440 | W | 90 | Very high | 93.1 | Very high | 67 Ų | 67 | 45.2 Ų | 45.2 | 25% | 0.254 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -55.1 | -40.8 | 174.3 | 171.6 | -78.7 | 0 | 0 | 0 | 112.6 | L429 L432 K433 F436 K437 T447 | L429-W440 HydrophobicContact CB-CH2 4.16Å; L429-W440 HydrophobicContact CB-CZ3 3.88Å; L429-W440 HydrophobicContact CD2-CH2 3.94Å; L429-W440 HydrophobicContact CD2-CZ3 3.53Å; L429-W440 HydrophobicContact CG-CZ3 4.32Å; L429-W440 WeakPolarHBondContact O-CZ3 3.41Å; L432-W440 HydrophobicContact CB-CE3 4.06Å; L432-W440 HydrophobicContact CD2-CE3 3.89Å; L432-W440 HydrophobicContact CD2-CZ3 4.45Å; L432-W440 HydrophobicContact CG-CE3 4.03Å; K433-W440 HydrophobicContact CB-CD2 3.7Å; K433-W440 HydrophobicContact CB-CE3 3.71Å; K433-W440 HydrophobicContact CB-CG 4.19Å; K433-W440 HydrophobicContact CB-CH2 4.35Å; K433-W440 HydrophobicContact CB-CZ2 4.35Å; K433-W440 HydrophobicContact CB-CZ3 4.04Å; K433-W440 HydrophobicContact CD-CZ2 4.33Å; K433-W440 HydrophobicContact CG-CD2 4.18Å; K433-W440 HydrophobicContact CG-CG 4.46Å; K433-W440 HydrophobicContact CG-CZ2 4.46Å; F436-W440 PolarHBondContact O-N 3.5Å; F436-W440 VanDerWaalsContact O-N 3.08Å; K437-W440 WeakPolarHBondContact O-CB 3.37Å; K437-W440 PolarHBondContact O-N 2.99Å; W440-T447 HydrophobicContact CH2-CG2 3.98Å; W440-T447 HydrophobicContact CZ2-CG2 4.33Å; W440-T447 HydrophobicContact CZ3-CG2 4.28Å; W440-T447 WeakPolarHBondContact CZ3-OG1 3.49Å |
| 441 | E | 89.3 | Confident | 93.1 | Very high | 105 Ų | 105 | 44.4 Ų | 44.4 | 49% | 0.491 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -77.7 | -34.8 | 179.2 | -69.7 | 173.7 | 149 | 0 | 0 | 112.8 | K437 L439 | K437-E441 WeakPolarHBondContact CE-OE1 3.38Å; K437-E441 VanDerWaalsContact CE-OE2 3.26Å; K437-E441 WeakPolarHBondContact CE-OE2 3.41Å; K437-E441 HydrophobicContact CG-CG 4.41Å; K437-E441 IonicContact NZ-OE1 2.77Å; K437-E441 PolarHBondContact NZ-OE1 3Å; K437-E441 WeakPolarHBondContact O-CG 3.47Å; K437-E441 PolarHBondContact O-N 3.34Å; L439-E441 VanDerWaalsContact C-N 3.26Å; L439-E441 PolarHBondContact O-N 3.34Å |
| 442 | N | 88.6 | Confident | 93.1 | Very high | 118 Ų | 118 | 43.6 Ų | 43.6 | 63% | 0.631 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -90.3 | -25.7 | -174.5 | -70.3 | -16.4 | 0 | 0 | 0 | 114.9 | T438 L439 | T438-N442 VanDerWaalsContact O-CB 3.25Å; T438-N442 WeakPolarHBondContact O-CB 3.4Å; T438-N442 PolarHBondContact O-N 3.36Å; T438-N442 PolarHBondContact O-ND2 3.38Å; L439-N442 PolarHBondContact O-N 3.47Å |
| 443 | D | 90 | Very high | 93.1 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | trans | -128.4 | 82.8 | 175.1 | -167.6 | -5.8 | 0 | 0 | 0 | 113 | L439 S445 I446 F874 K875 | L439-D443 HydrophobicContact CD1-CB 4.18Å; L439-D443 PolarHBondContact O-N 3.32Å; D443-S445 PolarHBondContact O-N 3.01Å; D443-S445 VanDerWaalsContact O-N 3.08Å; D443-S445 WeakPolarHBondContact OD1-CA 3.44Å; D443-S445 WeakPolarHBondContact OD1-CB 3.49Å; D443-S445 PolarHBondContact OD1-N 2.98Å; D443-S445 PolarHBondContact OD1-OG 3.16Å; D443-S445 PolarHBondContact OD2-OG 3.04Å; D443-I446 HydrophobicContact CB-CD1 4.04Å; D443-I446 HydrophobicContact CB-CG1 4.37Å; D443-I446 PolarHBondContact O-N 3.27Å; D443-F874 WeakPolarHBondContact OD2-CB 3.22Å; D443-K875 PolarHBondContact OD2-N 3.2Å | ||
| 444 | P | 91.4 | Very high | 93.1 | Very high | 41 Ų | 41 | 40.4 Ų | 40.4 | 27% | 0.266 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.2 | -13.3 | 173.3 | -22 | 32.6 | 0 | 0 | 0 | 114.6 | I446 T447 F448 L780 V785 | P444-I446 VanDerWaalsContact C-N 3.32Å; P444-I446 PolarHBondContact O-N 2.79Å; P444-T447 PolarHBondContact O-N 2.83Å; P444-F448 PolarHBondContact O-N 3.36Å; P444-L780 HydrophobicContact CB-CD2 3.81Å; P444-V785 HydrophobicContact CB-CG1 4.1Å; P444-V785 HydrophobicContact CG-CG1 4.23Å |
| 445 | S | 91.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70.1 | -29.6 | 179.1 | 79.7 | 0 | 0 | 0 | 0 | 112.4 | D443 F448 V449 Q790 | D443-S445 PolarHBondContact O-N 3.01Å; D443-S445 VanDerWaalsContact O-N 3.08Å; D443-S445 WeakPolarHBondContact OD1-CA 3.44Å; D443-S445 WeakPolarHBondContact OD1-CB 3.49Å; D443-S445 PolarHBondContact OD1-N 2.98Å; D443-S445 PolarHBondContact OD1-OG 3.16Å; D443-S445 PolarHBondContact OD2-OG 3.04Å; S445-F448 PolarHBondContact O-N 3.36Å; S445-V449 WeakPolarHBondContact O-CG2 3.27Å; S445-V449 PolarHBondContact O-N 3.17Å; S445-Q790 PolarHBondContact OG-NE2 2.91Å |
| 446 | I | 93.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.1 | -50.9 | 171.1 | -62.7 | 169.3 | 0 | 0 | 0 | 110.1 | L432 L439 D443 P444 F448 V449 L450 V827 A830 F874 | L432-I446 HydrophobicContact CD2-CB 4.46Å; L432-I446 HydrophobicContact CD2-CG2 3.57Å; L439-I446 HydrophobicContact CD1-CD1 3.7Å; L439-I446 HydrophobicContact CD2-CD1 3.86Å; L439-I446 HydrophobicContact CG-CD1 3.74Å; D443-I446 HydrophobicContact CB-CD1 4.04Å; D443-I446 HydrophobicContact CB-CG1 4.37Å; D443-I446 PolarHBondContact O-N 3.27Å; P444-I446 VanDerWaalsContact C-N 3.32Å; P444-I446 PolarHBondContact O-N 2.79Å; I446-F448 VanDerWaalsContact C-N 3.26Å; I446-F448 PolarHBondContact O-N 2.68Å; I446-V449 PolarHBondContact O-N 2.92Å; I446-L450 HydrophobicContact CG2-CD1 4.02Å; I446-L450 WeakPolarHBondContact O-CG 3.28Å; I446-L450 PolarHBondContact O-N 3.37Å; I446-V827 HydrophobicContact CG2-CG1 4.32Å; I446-V827 HydrophobicContact CG2-CG2 4.07Å; I446-A830 HydrophobicContact CD1-CB 3.84Å; I446-F874 HydrophobicContact CB-CD1 4.32Å; I446-F874 HydrophobicContact CB-CE1 4.26Å; I446-F874 HydrophobicContact CD1-CB 4.49Å; I446-F874 HydrophobicContact CD1-CG 4.39Å; I446-F874 HydrophobicContact CG1-CB 4.1Å; I446-F874 HydrophobicContact CG1-CD1 3.46Å; I446-F874 VanDerWaalsContact CG1-CD1 3.46Å; I446-F874 HydrophobicContact CG1-CD2 4.1Å; I446-F874 HydrophobicContact CG1-CE1 3.84Å; I446-F874 HydrophobicContact CG1-CE2 4.4Å; I446-F874 HydrophobicContact CG1-CG 3.62Å; I446-F874 HydrophobicContact CG1-CZ 4.29Å |
| 447 | T | 93.8 | Very high | 93 | Very high | 16 Ų | 16 | 31.9 Ų | 31.9 | 10% | 0.098 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.2 | -36.8 | 176.2 | -69.2 | 0 | 0 | 0 | 0 | 112 | L429 W440 P444 K451 | L429-T447 HydrophobicContact CD2-CG2 3.94Å; W440-T447 HydrophobicContact CH2-CG2 3.98Å; W440-T447 HydrophobicContact CZ2-CG2 4.33Å; W440-T447 HydrophobicContact CZ3-CG2 4.28Å; W440-T447 WeakPolarHBondContact CZ3-OG1 3.49Å; P444-T447 PolarHBondContact O-N 2.83Å; T447-K451 VanDerWaalsContact O-CG 3.29Å; T447-K451 WeakPolarHBondContact O-CG 3.46Å; T447-K451 PolarHBondContact O-N 3.04Å |
| 448 | F | 94.8 | Very high | 92.9 | Very high | 3 Ų | 3 | 28.5 Ų | 28.5 | 1% | 0.013 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.6 | -47.6 | 176.2 | 177.2 | -111.7 | 0 | 0 | 0 | 113.1 | P444 S445 I446 L450 K451 C452 L773 A777 L780 I786 Q790 L794 | P444-F448 PolarHBondContact O-N 3.36Å; S445-F448 PolarHBondContact O-N 3.36Å; I446-F448 VanDerWaalsContact C-N 3.26Å; I446-F448 PolarHBondContact O-N 2.68Å; F448-L450 PolarHBondContact O-N 3.07Å; F448-K451 PolarHBondContact O-N 3.09Å; F448-C452 VanDerWaalsContact CZ-SG 3.57Å; F448-C452 PolarHBondContact O-N 3.2Å; F448-C452 PolarHBondContact O-SG 2.98Å; F448-L773 HydrophobicContact CD2-CD1 3.86Å; F448-L773 HydrophobicContact CE2-CD1 3.72Å; F448-L773 HydrophobicContact CE2-CG 4.38Å; F448-A777 HydrophobicContact CE2-CB 3.56Å; F448-A777 HydrophobicContact CZ-CB 3.65Å; F448-L780 HydrophobicContact CB-CD1 3.8Å; F448-L780 HydrophobicContact CD2-CD1 4.08Å; F448-L780 HydrophobicContact CG-CD1 4.04Å; F448-I786 HydrophobicContact CB-CG2 4.21Å; F448-I786 HydrophobicContact CD1-CB 4.38Å; F448-I786 HydrophobicContact CD1-CD1 4.38Å; F448-I786 HydrophobicContact CD1-CG2 3.56Å; F448-I786 HydrophobicContact CE1-CD1 3.91Å; F448-I786 HydrophobicContact CE1-CG2 4.16Å; F448-I786 HydrophobicContact CG-CG2 4Å; F448-I786 HydrophobicContact CZ-CD1 4.19Å; F448-Q790 HydrophobicContact CD1-CB 4.43Å; F448-Q790 HydrophobicContact CE1-CB 4.3Å; F448-Q790 WeakPolarHBondContact CE1-O 3.4Å; F448-L794 HydrophobicContact CE2-CD2 3.97Å; F448-L794 HydrophobicContact CZ-CB 4.09Å; F448-L794 HydrophobicContact CZ-CD2 3.79Å |
| 449 | V | 94.6 | Very high | 93 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.2 | -37.3 | -180 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | S445 I446 K451 C452 H453 Q790 L793 L823 Y872 F874 | S445-V449 WeakPolarHBondContact O-CG2 3.27Å; S445-V449 PolarHBondContact O-N 3.17Å; I446-V449 PolarHBondContact O-N 2.92Å; V449-K451 VanDerWaalsContact C-N 3.35Å; V449-K451 PolarHBondContact O-N 2.88Å; V449-C452 PolarHBondContact O-N 3.36Å; V449-H453 PolarHBondContact O-N 3.32Å; V449-Q790 HydrophobicContact CG2-CB 4.39Å; V449-Q790 HydrophobicContact CG2-CG 3.79Å; V449-L793 HydrophobicContact CG1-CD2 4.08Å; V449-L823 HydrophobicContact CG1-CD1 3.66Å; V449-Y872 HydrophobicContact CG1-CD1 4.03Å; V449-Y872 HydrophobicContact CG1-CE1 4.01Å; V449-F874 HydrophobicContact CB-CE1 4.06Å; V449-F874 HydrophobicContact CB-CZ 4.26Å; V449-F874 HydrophobicContact CG1-CZ 4.34Å; V449-F874 HydrophobicContact CG2-CE1 3.94Å |
| 450 | L | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.6 | -42.3 | 171.6 | -76.4 | 166.3 | 0 | 0 | 0 | 112.1 | I420 Y425 L429 L432 I446 F448 H453 H454 L823 | I420-L450 HydrophobicContact CD1-CD2 4.02Å; I420-L450 HydrophobicContact CG1-CD2 3.99Å; Y425-L450 HydrophobicContact CD1-CD2 3.96Å; L429-L450 HydrophobicContact CD2-CB 3.87Å; L429-L450 HydrophobicContact CD2-CD1 3.75Å; L429-L450 HydrophobicContact CD2-CG 4.47Å; L429-L450 HydrophobicContact CG-CB 4.2Å; L429-L450 HydrophobicContact CG-CD1 4.3Å; L432-L450 HydrophobicContact CD2-CD1 4.05Å; I446-L450 HydrophobicContact CG2-CD1 4.02Å; I446-L450 WeakPolarHBondContact O-CG 3.28Å; I446-L450 PolarHBondContact O-N 3.37Å; F448-L450 PolarHBondContact O-N 3.07Å; L450-H453 PolarHBondContact O-N 3.46Å; L450-H454 PolarHBondContact O-N 3.39Å; L450-L823 HydrophobicContact CD2-CD2 3.94Å; L450-L823 HydrophobicContact CD2-CG 4.39Å |
| 451 | K | 95.9 | Very high | 92.8 | Very high | 68 Ų | 68 | 27.2 Ų | 27.2 | 30% | 0.296 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -66.8 | -36.5 | 174.5 | -70.8 | 175.6 | 179.4 | -176.2 | 0 | 112.9 | L429 T447 F448 V449 H454 F455 Y769 L773 | L429-K451 HydrophobicContact CD1-CG 3.97Å; T447-K451 VanDerWaalsContact O-CG 3.29Å; T447-K451 WeakPolarHBondContact O-CG 3.46Å; T447-K451 PolarHBondContact O-N 3.04Å; F448-K451 PolarHBondContact O-N 3.09Å; V449-K451 VanDerWaalsContact C-N 3.35Å; V449-K451 PolarHBondContact O-N 2.88Å; K451-H454 WeakPolarHBondContact O-CB 3.41Å; K451-H454 PolarHBondContact O-N 3.26Å; K451-F455 PolarHBondContact O-N 2.99Å; K451-Y769 WeakPolarHBondContact CB-OH 3.35Å; K451-Y769 WeakPolarHBondContact CG-OH 3.39Å; K451-L773 HydrophobicContact CB-CD1 3.7Å; K451-L773 HydrophobicContact CB-CD2 4.44Å; K451-L773 HydrophobicContact CD-CD1 4.37Å |
| 452 | C | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.1 | -42.5 | 173.4 | -63.2 | 0 | 0 | 0 | 0 | 111.7 | F448 V449 F455 I456 L793 | F448-C452 VanDerWaalsContact CZ-SG 3.57Å; F448-C452 PolarHBondContact O-N 3.2Å; F448-C452 PolarHBondContact O-SG 2.98Å; V449-C452 PolarHBondContact O-N 3.36Å; C452-F455 WeakPolarHBondContact O-CB 3.1Å; C452-F455 PolarHBondContact O-N 3.23Å; C452-I456 WeakPolarHBondContact O-CG1 3.32Å; C452-I456 PolarHBondContact O-N 2.9Å; C452-L793 HydrophobicContact CB-CD2 3.93Å; C452-L793 HydrophobicContact CB-CG 4.19Å |
| 453 | H | 95.3 | Very high | 92.2 | Very high | 3 Ų | 3 | 21.5 Ų | 21.5 | 1% | 0.014 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -70.7 | -30.3 | 175.4 | -87.1 | -76.7 | 0 | 0 | 0 | 113.7 | Y425 V449 L450 I456 D457 L823 Y872 | Y425-H453 HydrophobicContact CD1-CB 4.2Å; Y425-H453 HydrophobicContact CE1-CB 3.68Å; Y425-H453 HydrophobicContact CE2-CB 4.42Å; Y425-H453 WeakPolarHBondContact CE2-O 3.3Å; V449-H453 PolarHBondContact O-N 3.32Å; L450-H453 PolarHBondContact O-N 3.46Å; H453-I456 PolarHBondContact O-N 2.96Å; H453-D457 PolarHBondContact O-N 2.87Å; H453-L823 HydrophobicContact CB-CD2 3.78Å; H453-Y872 PolarHBondContact CE1-OH 3.02Å; H453-Y872 AromaticContact NE2-CE1 3.5Å; H453-Y872 AromaticContact NE2-CZ 3.62Å; H453-Y872 PolarHBondContact NE2-OH 2.88Å |
| 454 | H | 95.8 | Very high | 91.8 | Very high | 25 Ų | 25 | 24.7 Ų | 24.7 | 12% | 0.116 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.9 | -46.8 | 167.9 | -170 | 50.8 | 0 | 0 | 0 | 111.6 | Y425 L450 K451 I456 D457 L458 Y769 | Y425-H454 HydrophobicContact CD2-CB 3.74Å; Y425-H454 AromaticContact CD2-ND1 3.86Å; Y425-H454 HydrophobicContact CG-CB 4.13Å; L450-H454 PolarHBondContact O-N 3.39Å; K451-H454 WeakPolarHBondContact O-CB 3.41Å; K451-H454 PolarHBondContact O-N 3.26Å; H454-I456 PolarHBondContact O-N 2.9Å; H454-D457 PolarHBondContact O-N 3.41Å; H454-L458 WeakPolarHBondContact O-CG 3.27Å; H454-L458 PolarHBondContact O-N 2.79Å; H454-Y769 AromaticContact CD2-CE2 3.87Å; H454-Y769 AromaticContact CD2-CZ 3.64Å |
| 455 | F | 95.3 | Very high | 90.9 | Very high | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.018 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59 | -44.4 | 175.9 | -175.3 | -126.2 | 0 | 0 | 0 | 112.3 | K451 C452 D457 L458 I459 L766 Y769 L773 L794 A797 F798 V801 | K451-F455 PolarHBondContact O-N 2.99Å; C452-F455 WeakPolarHBondContact O-CB 3.1Å; C452-F455 PolarHBondContact O-N 3.23Å; F455-D457 PolarHBondContact O-N 3.49Å; F455-L458 PolarHBondContact O-N 3.44Å; F455-I459 HydrophobicContact CD1-CD1 4.12Å; F455-I459 HydrophobicContact CE1-CD1 3.86Å; F455-I459 HydrophobicContact CE2-CD1 4.38Å; F455-I459 HydrophobicContact CE2-CG1 4.44Å; F455-I459 HydrophobicContact CG-CD1 4.48Å; F455-I459 HydrophobicContact CZ-CD1 4Å; F455-I459 HydrophobicContact CZ-CG1 4.49Å; F455-I459 WeakPolarHBondContact O-CG1 3.46Å; F455-I459 PolarHBondContact O-N 3.21Å; F455-L766 HydrophobicContact CD2-CD1 3.85Å; F455-L766 HydrophobicContact CE2-CD1 3.66Å; F455-L766 HydrophobicContact CE2-CG 4.09Å; F455-L766 WeakPolarHBondContact CE2-O 3.1Å; F455-Y769 HydrophobicContact CB-CD1 4.17Å; F455-Y769 HydrophobicContact CB-CE1 4.01Å; F455-Y769 HydrophobicContact CD2-CD1 4Å; F455-Y769 HydrophobicContact CG-CD1 4.43Å; F455-L773 HydrophobicContact CB-CD2 4.06Å; F455-L794 HydrophobicContact CD1-CD1 4.48Å; F455-A797 HydrophobicContact CD1-CB 3.89Å; F455-A797 HydrophobicContact CE1-CB 4.23Å; F455-F798 HydrophobicContact CD1-CE1 4.46Å; F455-F798 AromaticContact CE1-CD1 3.46Å; F455-F798 HydrophobicContact CE1-CD1 3.46Å; F455-F798 VanDerWaalsContact CE1-CD1 3.46Å; F455-F798 AromaticContact CE1-CE1 3.62Å; F455-F798 HydrophobicContact CE1-CE1 3.62Å; F455-F798 HydrophobicContact CE1-CG 4.34Å; F455-F798 AromaticContact CZ-CD1 3.71Å; F455-F798 HydrophobicContact CZ-CD1 3.71Å; F455-F798 AromaticContact CZ-CE1 3.8Å; F455-F798 HydrophobicContact CZ-CE1 3.8Å; F455-V801 HydrophobicContact CE1-CG2 4.41Å; F455-V801 HydrophobicContact CZ-CG2 3.87Å |
| 456 | I | 93.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.9 | -42.5 | 176.1 | -66.1 | 165.4 | 0 | 0 | 0 | 111.6 | C452 H453 H454 I459 R460 L793 A797 L815 | C452-I456 WeakPolarHBondContact O-CG1 3.32Å; C452-I456 PolarHBondContact O-N 2.9Å; H453-I456 PolarHBondContact O-N 2.96Å; H454-I456 PolarHBondContact O-N 2.9Å; I456-I459 PolarHBondContact O-N 3.1Å; I456-R460 PolarHBondContact O-N 3.37Å; I456-L793 HydrophobicContact CD1-CD1 3.83Å; I456-A797 HydrophobicContact CD1-CB 4.08Å; I456-A797 HydrophobicContact CG1-CB 3.64Å; I456-L815 HydrophobicContact CG2-CD2 4.17Å |
| 457 | D | 91.9 | Very high | 88 | Confident | 5 Ų | 5 | 30.5 Ų | 30.5 | 3% | 0.027 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -73.3 | -27.8 | 177.4 | -90.5 | -6.7 | 0 | 0 | 0 | 113.2 | Y425 H453 H454 F455 R460 Q461 R820 | Y425-D457 HydrophobicContact CE2-CB 3.87Å; Y425-D457 WeakPolarHBondContact CE2-OD2 3.35Å; Y425-D457 PolarHBondContact OH-OD2 3.5Å; H453-D457 PolarHBondContact O-N 2.87Å; H454-D457 PolarHBondContact O-N 3.41Å; F455-D457 PolarHBondContact O-N 3.49Å; D457-R460 PolarHBondContact O-N 2.84Å; D457-R460 IonicContact OD1-CZ 3.4Å; D457-R460 IonicContact OD1-NE 2.71Å; D457-R460 IonicContact OD1-NH1 3.55Å; D457-R460 PolarHBondContact OD1-NH1 3.04Å; D457-R460 IonicContact OD1-NH2 3.21Å; D457-R460 PolarHBondContact OD1-NH2 3.01Å; D457-R460 IonicContact OD2-NH2 2.75Å; D457-Q461 WeakPolarHBondContact O-CB 3.4Å; D457-Q461 VanDerWaalsContact O-CG 3.22Å; D457-Q461 WeakPolarHBondContact O-CG 3.37Å; D457-Q461 PolarHBondContact O-N 3.5Å; D457-Q461 PolarHBondContact O-NE2 3.4Å; D457-R820 IonicContact OD1-NE 2.64Å; D457-R820 IonicContact OD1-NH2 3.35Å; D457-R820 IonicContact OD2-CZ 3.6Å; D457-R820 IonicContact OD2-NE 3.9Å; D457-R820 PolarHBondContact OD2-NE 3.16Å; D457-R820 IonicContact OD2-NH2 3.11Å; D457-R820 PolarHBondContact OD2-NH2 2.85Å |
| 458 | L | 92 | Very high | 85.8 | Confident | 46 Ų | 46 | 34.3 Ų | 34.3 | 24% | 0.241 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.4 | -45.7 | 170 | -72.1 | 172.3 | 0 | 0 | 0 | 111.1 | H454 F455 R460 Q461 H462 L766 Y769 | H454-L458 WeakPolarHBondContact O-CG 3.27Å; H454-L458 PolarHBondContact O-N 2.79Å; F455-L458 PolarHBondContact O-N 3.44Å; L458-R460 VanDerWaalsContact C-N 3.26Å; L458-R460 PolarHBondContact O-N 3.34Å; L458-Q461 PolarHBondContact O-N 3.45Å; L458-H462 WeakPolarHBondContact O-CB 3.3Å; L458-H462 PolarHBondContact O-N 3.15Å; L458-L766 HydrophobicContact CB-CD1 3.63Å; L458-Y769 HydrophobicContact CD1-CD1 4.42Å; L458-Y769 HydrophobicContact CD1-CG 4.42Å |
| 459 | I | 91.7 | Very high | 83.5 | Confident | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.6 | -45 | 172.3 | -64.2 | 167.3 | 0 | 0 | 0 | 110.1 | F455 I456 Y463 L766 A797 L800 V801 P806 L815 | F455-I459 HydrophobicContact CD1-CD1 4.12Å; F455-I459 HydrophobicContact CE1-CD1 3.86Å; F455-I459 HydrophobicContact CE2-CD1 4.38Å; F455-I459 HydrophobicContact CE2-CG1 4.44Å; F455-I459 HydrophobicContact CG-CD1 4.48Å; F455-I459 HydrophobicContact CZ-CD1 4Å; F455-I459 HydrophobicContact CZ-CG1 4.49Å; F455-I459 WeakPolarHBondContact O-CG1 3.46Å; F455-I459 PolarHBondContact O-N 3.21Å; I456-I459 PolarHBondContact O-N 3.1Å; I459-Y463 PolarHBondContact O-N 3.48Å; I459-Y463 VanDerWaalsContact O-N 3.14Å; I459-L766 HydrophobicContact CG1-CD1 3.95Å; I459-L766 HydrophobicContact CG1-CD2 4.29Å; I459-A797 WeakPolarHBondContact CD1-O 3.41Å; I459-L800 HydrophobicContact CD1-CB 4.2Å; I459-L800 HydrophobicContact CG2-CB 4.35Å; I459-V801 HydrophobicContact CD1-CG2 3.53Å; I459-V801 HydrophobicContact CG1-CG2 3.95Å; I459-P806 HydrophobicContact CG2-CB 4.09Å; I459-P806 HydrophobicContact CG2-CG 3.79Å; I459-L815 HydrophobicContact CG2-CD2 4.42Å |
| 460 | R | 90 | Very high | 80.4 | Confident | 35 Ų | 35 | 47.9 Ų | 47.9 | 13% | 0.132 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.8 | -46.9 | 178.9 | -158.4 | -173.9 | 70.9 | -135.9 | -14.6 | 112 | I456 D457 L458 Y463 T464 Y807 L815 | I456-R460 PolarHBondContact O-N 3.37Å; D457-R460 PolarHBondContact O-N 2.84Å; D457-R460 IonicContact OD1-CZ 3.4Å; D457-R460 IonicContact OD1-NE 2.71Å; D457-R460 IonicContact OD1-NH1 3.55Å; D457-R460 PolarHBondContact OD1-NH1 3.04Å; D457-R460 IonicContact OD1-NH2 3.21Å; D457-R460 PolarHBondContact OD1-NH2 3.01Å; D457-R460 IonicContact OD2-NH2 2.75Å; L458-R460 VanDerWaalsContact C-N 3.26Å; L458-R460 PolarHBondContact O-N 3.34Å; R460-Y463 PolarHBondContact O-N 2.84Å; R460-T464 WeakPolarHBondContact O-CG2 3.48Å; R460-T464 PolarHBondContact O-N 2.88Å; R460-T464 PolarHBondContact O-OG1 2.99Å; R460-Y807 WeakPolarHBondContact CD-OH 3.34Å; R460-Y807 HydrophobicContact CG-CE2 4.48Å; R460-Y807 WeakPolarHBondContact CG-OH 3.12Å; R460-L815 HydrophobicContact CB-CD2 3.91Å; R460-L815 WeakPolarHBondContact CD-O 3.2Å; R460-L815 HydrophobicContact CG-CB 4.44Å; R460-L815 HydrophobicContact CG-CD2 4.17Å |
| 461 | Q | 86.7 | Confident | 77.2 | Confident | 89 Ų | 89 | 53.4 Ų | 53.4 | 42% | 0.416 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.4 | -52.7 | 179.1 | -77.9 | 172.8 | 54.2 | 0 | 0 | 111.1 | D457 L458 Y463 T464 T465 | D457-Q461 WeakPolarHBondContact O-CB 3.4Å; D457-Q461 VanDerWaalsContact O-CG 3.22Å; D457-Q461 WeakPolarHBondContact O-CG 3.37Å; D457-Q461 PolarHBondContact O-N 3.5Å; D457-Q461 PolarHBondContact O-NE2 3.4Å; L458-Q461 PolarHBondContact O-N 3.45Å; Q461-Y463 VanDerWaalsContact C-N 3.26Å; Q461-Y463 PolarHBondContact O-N 3.08Å; Q461-T464 WeakPolarHBondContact CA-OG1 3.47Å; Q461-T464 PolarHBondContact O-N 3.29Å; Q461-T464 PolarHBondContact O-OG1 3.49Å; Q461-T465 PolarHBondContact O-N 2.95Å; Q461-T465 PolarHBondContact O-OG1 3.08Å |
| 462 | H | 84.1 | Confident | 73.9 | Confident | 39 Ų | 39 | 56 Ų | 56 | 18% | 0.181 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.3 | -33.9 | 179.1 | -177.4 | -103.3 | 0 | 0 | 0 | 113 | L458 T465 N466 E762 | L458-H462 WeakPolarHBondContact O-CB 3.3Å; L458-H462 PolarHBondContact O-N 3.15Å; H462-T465 PolarHBondContact O-OG1 2.96Å; H462-N466 PolarHBondContact CD2-ND2 2.82Å; H462-N466 PolarHBondContact CE1-ND2 3.48Å; H462-N466 PolarHBondContact NE2-ND2 3.33Å; H462-N466 VanDerWaalsContact NE2-ND2 3.19Å; H462-N466 WeakPolarHBondContact O-CB 3.46Å; H462-N466 VanDerWaalsContact O-CG 3.32Å; H462-N466 PolarHBondContact O-ND2 2.92Å; H462-E762 IonicContact CD2-OE2 3.81Å |
| 463 | Y | 82.3 | Confident | 70.5 | Confident | 65 Ų | 65 | 61 Ų | 61 | 26% | 0.255 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -70.6 | -43.4 | 171.5 | -166.8 | -98.2 | 0 | 0 | 0 | 112.3 | I459 R460 Q461 N466 S467 Q804 N805 Y807 | I459-Y463 PolarHBondContact O-N 3.48Å; I459-Y463 VanDerWaalsContact O-N 3.14Å; R460-Y463 PolarHBondContact O-N 2.84Å; Q461-Y463 VanDerWaalsContact C-N 3.26Å; Q461-Y463 PolarHBondContact O-N 3.08Å; Y463-N466 PolarHBondContact O-N 3.07Å; Y463-S467 WeakPolarHBondContact O-CB 3.33Å; Y463-S467 PolarHBondContact O-N 3.09Å; Y463-Q804 WeakPolarHBondContact CE2-O 3.48Å; Y463-N805 HydrophobicContact CE2-CB 3.91Å; Y463-N805 VanDerWaalsContact CZ-CG 3.44Å; Y463-N805 PolarHBondContact OH-ND2 3.31Å; Y463-Y807 AromaticContact CD1-CD2 3.7Å; Y463-Y807 HydrophobicContact CD1-CD2 3.7Å; Y463-Y807 AromaticContact CD1-CE2 3.7Å; Y463-Y807 HydrophobicContact CD1-CE2 3.7Å; Y463-Y807 HydrophobicContact CE1-CD2 4.1Å; Y463-Y807 HydrophobicContact CE1-CE2 4.45Å; Y463-Y807 HydrophobicContact CG-CD2 4.44Å; Y463-Y807 HydrophobicContact CG-CE2 4.41Å |
| 464 | T | 80.7 | Confident | 67.3 | Low | 70 Ų | 70 | 69 Ų | 69 | 43% | 0.429 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.9 | -32.2 | -178.5 | 53.5 | 0 | 0 | 0 | 0 | 114.5 | R460 Q461 N466 | R460-T464 WeakPolarHBondContact O-CG2 3.48Å; R460-T464 PolarHBondContact O-N 2.88Å; R460-T464 PolarHBondContact O-OG1 2.99Å; Q461-T464 WeakPolarHBondContact CA-OG1 3.47Å; Q461-T464 PolarHBondContact O-N 3.29Å; Q461-T464 PolarHBondContact O-OG1 3.49Å; T464-N466 VanDerWaalsContact C-N 3.33Å |
| 465 | T | 73.8 | Confident | 64 | Low | 56 Ų | 56 | 76.3 Ų | 76.3 | 34% | 0.344 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -74 | -24 | 176.5 | 51.2 | 0 | 0 | 0 | 0 | 113.2 | Q461 H462 S468 K469 | Q461-T465 PolarHBondContact O-N 2.95Å; Q461-T465 PolarHBondContact O-OG1 3.08Å; H462-T465 PolarHBondContact O-OG1 2.96Å; T465-S468 PolarHBondContact O-OG 3.36Å; T465-S468 VanDerWaalsContact O-OG 3.14Å; T465-K469 VanDerWaalsContact O-CE 3.31Å; T465-K469 WeakPolarHBondContact O-CE 3.46Å |
| 466 | N | 64.8 | Low | 60.8 | Low | 35 Ų | 35 | 78.9 Ų | 78.9 | 19% | 0.187 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -97.1 | -33.4 | -177.4 | -68.4 | -33.3 | 0 | 0 | 0 | 112.4 | H462 Y463 T464 S468 K469 L759 | H462-N466 PolarHBondContact CD2-ND2 2.82Å; H462-N466 PolarHBondContact CE1-ND2 3.48Å; H462-N466 PolarHBondContact NE2-ND2 3.33Å; H462-N466 VanDerWaalsContact NE2-ND2 3.19Å; H462-N466 WeakPolarHBondContact O-CB 3.46Å; H462-N466 VanDerWaalsContact O-CG 3.32Å; H462-N466 PolarHBondContact O-ND2 2.92Å; Y463-N466 PolarHBondContact O-N 3.07Å; T464-N466 VanDerWaalsContact C-N 3.33Å; N466-S468 PolarHBondContact O-N 3.02Å; N466-S468 VanDerWaalsContact O-N 3.08Å; N466-K469 PolarHBondContact O-N 3.4Å; N466-K469 VanDerWaalsContact O-N 3.08Å; N466-L759 VanDerWaalsContact CG-CD1 3.49Å; N466-L759 WeakPolarHBondContact ND2-CD1 3.49Å; N466-L759 VanDerWaalsContact OD1-CD1 3.29Å; N466-L759 WeakPolarHBondContact OD1-CD1 3.2Å |
| 467 | S | 59.6 | Low | 57.8 | Low | 75 Ų | 75 | 87.3 Ų | 87.3 | 52% | 0.524 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -15.8 | 173.9 | -171.6 | 0 | 0 | 0 | 0 | 113.9 | Y463 | Y463-S467 WeakPolarHBondContact O-CB 3.33Å; Y463-S467 PolarHBondContact O-N 3.09Å |
| 468 | S | 48 | Very low | 54.8 | Low | 96 Ų | 96 | 91.5 Ų | 91.5 | 67% | 0.671 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 4.4 | 177.1 | 57.1 | 0 | 0 | 0 | 0 | 114.3 | T465 N466 | T465-S468 PolarHBondContact O-OG 3.36Å; T465-S468 VanDerWaalsContact O-OG 3.14Å; N466-S468 PolarHBondContact O-N 3.02Å; N466-S468 VanDerWaalsContact O-N 3.08Å |
| 469 | K | 46.2 | Very low | 51.9 | Low | 111 Ų | 111 | 96.8 Ų | 96.8 | 48% | 0.483 | 56% | 0.557 | S | S | . | * | trans | -113.8 | 3.1 | -173.7 | -64.6 | 177.6 | -174.6 | 163.3 | 0 | 115.6 | T465 N466 | T465-K469 VanDerWaalsContact O-CE 3.31Å; T465-K469 WeakPolarHBondContact O-CE 3.46Å; N466-K469 PolarHBondContact O-N 3.4Å; N466-K469 VanDerWaalsContact O-N 3.08Å | ||
| 470 | E | 29.8 | Very low | 49 | Very low | 176 Ų | 176 | 102.9 Ų | 102.9 | 82% | 0.822 | 59% | 0.59 | S | S | * | * | trans | -67.2 | 129.9 | 176.9 | -80 | -155.1 | 154.2 | 0 | 0 | 112.3 | ||||
| 471 | P | 28.8 | Very low | 46.4 | Very low | 117 Ų | 117 | 108.3 Ų | 108.3 | 76% | 0.76 | 62% | 0.622 | S | S | * | * | trans | -81.6 | 123.9 | 179.4 | 31.8 | -33.4 | 0 | 0 | 0 | 111.7 | S473 | P471-S473 VanDerWaalsContact C-N 3.33Å; P471-S473 PolarHBondContact O-N 3.45Å | ||
| 472 | S | 25.2 | Very low | 43.8 | Very low | 123 Ų | 123 | 109.5 Ų | 109.5 | 86% | 0.86 | 63% | 0.631 | S | S | * | * | trans | -80.2 | 65.4 | -178.7 | 47.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 473 | S | 25.6 | Very low | 41.4 | Very low | 105 Ų | 105 | 115.6 Ų | 115.6 | 73% | 0.734 | 66% | 0.663 | S | S | * | * | trans | -171 | 118.5 | 153 | 42.4 | 0 | 0 | 0 | 0 | 114.8 | P471 | P471-S473 VanDerWaalsContact C-N 3.33Å; P471-S473 PolarHBondContact O-N 3.45Å | ||
| 474 | L | 27.7 | Very low | 39 | Very low | 171 Ų | 171 | 118.8 Ų | 118.8 | 90% | 0.895 | 68% | 0.684 | S | S | * | * | trans | -161.8 | 107.3 | 144.8 | -120.7 | 161.5 | 0 | 0 | 0 | 110.5 | ||||
| 475 | N | 26.9 | Very low | 36.8 | Very low | 177 Ų | 177 | 120.2 Ų | 120.2 | 95% | 0.947 | 70% | 0.697 | S | S | * | * | trans | -158.7 | 108.7 | 170.7 | -134.6 | -8.1 | 0 | 0 | 0 | 108.5 | ||||
| 476 | G | 27.2 | Very low | 34.9 | Very low | 59 Ų | 59 | 123.8 Ų | 123.8 | 61% | 0.608 | 71% | 0.714 | S | S | * | * | trans | 161.3 | 125.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 477 | L | 30.3 | Very low | 33.4 | Very low | 177 Ų | 177 | 128.9 Ų | 128.9 | 93% | 0.927 | 74% | 0.74 | S | S | * | * | trans | 73.1 | 133.4 | 175.3 | -50.6 | 171.8 | 0 | 0 | 0 | 116.2 | ||||
| 478 | S | 30.4 | Very low | 31.9 | Very low | 94 Ų | 94 | 135.1 Ų | 135.1 | 66% | 0.657 | 75% | 0.752 | S | S | * | * | cis | -162.7 | 125 | -21.8 | -170.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 479 | D | 30.1 | Very low | 31.1 | Very low | 157 Ų | 157 | 139.3 Ų | 139.3 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | trans | -73.9 | 153.6 | 159.6 | -67 | -60.3 | 0 | 0 | 0 | 110.6 | ||||
| 480 | N | 31.6 | Very low | 30.3 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | -173.8 | 125 | 156.2 | -107.6 | -46.9 | 0 | 0 | 0 | 113.2 | ||||
| 481 | N | 34.8 | Very low | 30.1 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | 153.2 | 150.9 | 121.2 | -80.1 | -50.1 | 0 | 0 | 0 | 112.2 | |||||
| 482 | N | 31.6 | Very low | 30.2 | Very low | 114 Ų | 114 | 143.5 Ų | 143.5 | 61% | 0.61 | 78% | 0.782 | S | S | * | * | cis | -169 | 155.5 | -44.3 | -171.2 | 18.4 | 0 | 0 | 0 | 107.3 | ||||
| 483 | I | 35 | Very low | 30.3 | Very low | 166 Ų | 166 | 142.4 Ų | 142.4 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | trans | -170.3 | 139.4 | 143.3 | -103.7 | 156.4 | 0 | 0 | 0 | 110.9 | ||||
| 484 | D | 31.9 | Very low | 30.5 | Very low | 132 Ų | 132 | 145.6 Ų | 145.6 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | -80.2 | 160.4 | -168.9 | -76.5 | -88.1 | 0 | 0 | 0 | 116.8 | ||||
| 485 | S | 34.1 | Very low | 30.4 | Very low | 101 Ų | 101 | 140.2 Ų | 140.2 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | -152.5 | 111.3 | 125.1 | 68 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 486 | N | 33.2 | Very low | 30.6 | Very low | 131 Ų | 131 | 139.6 Ų | 139.6 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | 64.6 | 122.8 | 153.5 | -55.7 | -50.6 | 0 | 0 | 0 | 119.8 | ||||
| 487 | I | 33.2 | Very low | 30.7 | Very low | 141 Ų | 141 | 143.1 Ų | 143.1 | 72% | 0.723 | 77% | 0.771 | S | S | * | * | cis | 82 | 132.9 | 48.8 | -67.3 | 170 | 0 | 0 | 0 | 113.2 | ||||
| 488 | R | 29.2 | Very low | 30.6 | Very low | 207 Ų | 207 | 140 Ų | 140 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | cis | 179.8 | 165.8 | -15.3 | -165.5 | -179.6 | -160.9 | 165.6 | 5.3 | 109.3 | ||||
| 489 | K | 30.6 | Very low | 30.5 | Very low | 184 Ų | 184 | 144 Ų | 144 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | trans | 79 | 160 | 165 | -43.8 | 178.7 | -175.5 | 175.1 | 0 | 115.3 | ||||
| 490 | T | 28.8 | Very low | 30.3 | Very low | 127 Ų | 127 | 148 Ų | 148 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | cis | -141.6 | 146.5 | 9.9 | -33.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 491 | L | 25.1 | Very low | 30.1 | Very low | 163 Ų | 163 | 148.3 Ų | 148.3 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | -60.6 | 154.6 | 160.8 | -64.6 | 122.5 | 0 | 0 | 0 | 112.5 | ||||
| 492 | Q | 31.1 | Very low | 29.7 | Very low | 201 Ų | 201 | 146.2 Ų | 146.2 | 94% | 0.939 | 77% | 0.769 | S | S | * | * | trans | -151.8 | 151.7 | 131.6 | -121.5 | 172.1 | 17.8 | 0 | 0 | 111.7 | ||||
| 493 | S | 27.3 | Very low | 29.6 | Very low | 101 Ų | 101 | 148.2 Ų | 148.2 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -116.2 | 151.3 | -172.3 | 54.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 494 | N | 30.2 | Very low | 29.2 | Very low | 171 Ų | 171 | 148.6 Ų | 148.6 | 91% | 0.914 | 77% | 0.77 | S | S | * | * | trans | -156.5 | 153.9 | 142.1 | -96.6 | -27 | 0 | 0 | 0 | 109.6 | ||||
| 495 | G | 25.1 | Very low | 29 | Very low | 59 Ų | 59 | 153.8 Ų | 153.8 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | trans | -127.4 | -148.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 496 | L | 31.1 | Very low | 28.9 | Very low | 164 Ų | 164 | 154.7 Ų | 154.7 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | trans | 74.4 | 139.4 | -162.9 | -66 | 74 | 0 | 0 | 0 | 112 | ||||
| 497 | D | 29 | Very low | 28.7 | Very low | 133 Ų | 133 | 157.5 Ų | 157.5 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | cis | -142.9 | 179.2 | 6.1 | -135.5 | -36.9 | 0 | 0 | 0 | 114.7 | ||||
| 498 | T | 29.9 | Very low | 28.9 | Very low | 112 Ų | 112 | 155.6 Ų | 155.6 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | trans | -102.5 | 162 | -156.1 | 55 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 499 | H | 26.3 | Very low | 28.9 | Very low | 178 Ų | 178 | 151.4 Ų | 151.4 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | 13.2 | 125.3 | 158.4 | -66.8 | -80.6 | 0 | 0 | 0 | 120.2 | ||||
| 500 | R | 27.5 | Very low | 29.2 | Very low | 240 Ų | 240 | 147.5 Ų | 147.5 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | -164.3 | 151.3 | 122.8 | -114.8 | 165.2 | -177.1 | 173.6 | 1.8 | 117.4 | |||||
| 501 | N | 27.4 | Very low | 29.4 | Very low | 139 Ų | 139 | 150.1 Ų | 150.1 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | -18.4 | 131.1 | 163 | -61.6 | -8.8 | 0 | 0 | 0 | 118.9 | ||||
| 502 | S | 25.1 | Very low | 29.8 | Very low | 107 Ų | 107 | 146.9 Ų | 146.9 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | 31.4 | 125.7 | 109.1 | -47.1 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 503 | Q | 29.9 | Very low | 29.7 | Very low | 155 Ų | 155 | 146.1 Ų | 146.1 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | trans | 103.5 | 127.8 | 143.6 | -69.9 | -176.1 | 25.8 | 0 | 0 | 122.5 | ||||
| 504 | K | 27.3 | Very low | 29.8 | Very low | 174 Ų | 174 | 146.6 Ų | 146.6 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | trans | 73 | 115.2 | 135.1 | -72.2 | 167 | 179.9 | 157.2 | 0 | 121.7 | ||||
| 505 | R | 26.6 | Very low | 29.6 | Very low | 241 Ų | 241 | 143.8 Ų | 143.8 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | -178.9 | 144.8 | 110.7 | -105.5 | 179.9 | 160 | -177.9 | -6.6 | 109.3 | |||||
| 506 | V | 33.8 | Very low | 30.2 | Very low | 121 Ų | 121 | 147 Ų | 147 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | cis | -140.2 | 155.1 | -8.9 | -141.8 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 507 | K | 27.1 | Very low | 29.9 | Very low | 189 Ų | 189 | 147.5 Ų | 147.5 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | cis | 82.1 | 152.2 | 19.2 | -107.9 | -140.2 | 166.7 | -156.3 | 0 | 116 | ||||
| 508 | P | 38.9 | Very low | 29.9 | Very low | 102 Ų | 102 | 149.2 Ų | 149.2 | 66% | 0.662 | 79% | 0.785 | S | S | * | * | -145 | 173.8 | -93.2 | 44.5 | -27.4 | 0 | 0 | 0 | 117.5 | |||||
| 509 | S | 29.2 | Very low | 29.7 | Very low | 118 Ų | 118 | 149.2 Ų | 149.2 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -171.3 | 156.2 | 151.7 | 53 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 510 | S | 37.1 | Very low | 29.9 | Very low | 102 Ų | 102 | 147.5 Ų | 147.5 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | cis | -153.7 | 179.2 | 16.6 | 50.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 511 | H | 31.9 | Very low | 29.9 | Very low | 182 Ų | 182 | 141.9 Ų | 141.9 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | -26.2 | 159.7 | 167.5 | -46.3 | -81.5 | 0 | 0 | 0 | 118.5 | ||||
| 512 | S | 34 | Very low | 30.5 | Very low | 95 Ų | 95 | 140 Ų | 140 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | cis | -155.9 | 162.5 | 20.2 | 51.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 513 | E | 28.9 | Very low | 30.6 | Very low | 186 Ų | 186 | 141.7 Ų | 141.7 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | 39.9 | 138.9 | 141 | -71.7 | 160.6 | -168.2 | 0 | 0 | 121.8 | ||||
| 514 | S | 28.5 | Very low | 30.7 | Very low | 110 Ų | 110 | 142 Ų | 142 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | cis | -156.8 | 169 | 7 | 58.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 515 | S | 25.9 | Very low | 31 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | trans | -136.4 | 167.5 | 155.2 | -52.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 516 | P | 38.6 | Very low | 31 | Very low | 126 Ų | 126 | 135 Ų | 135 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | -151.3 | 179.1 | 90.4 | 40.1 | -22.2 | 0 | 0 | 0 | 115.4 | |||||
| 517 | E | 24.2 | Very low | 30.8 | Very low | 175 Ų | 175 | 134.8 Ų | 134.8 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -75.1 | 154.2 | 169.5 | -56.7 | 150.5 | 101.8 | 0 | 0 | 112.3 | ||||
| 518 | I | 29.6 | Very low | 30.6 | Very low | 169 Ų | 169 | 134.4 Ų | 134.4 | 87% | 0.867 | 76% | 0.763 | S | S | * | * | trans | -132.5 | 130.6 | 140.8 | -67.4 | -171.7 | 0 | 0 | 0 | 109.6 | ||||
| 519 | T | 25.8 | Very low | 29.9 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 69% | 0.693 | 76% | 0.763 | S | S | * | * | trans | -76.7 | 128.7 | -179.3 | -44.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 520 | T | 30.5 | Very low | 29.7 | Very low | 142 Ų | 142 | 137.1 Ų | 137.1 | 87% | 0.871 | 76% | 0.761 | S | S | * | * | trans | -154.9 | 136.3 | 144.2 | 28.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 521 | T | 28 | Very low | 29.3 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | -113.1 | -177.9 | 177.1 | 51.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 522 | P | 39.4 | Very low | 28.9 | Very low | 98 Ų | 98 | 137.8 Ų | 137.8 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | cis | -131.5 | -161 | -31.9 | 26.6 | -2.9 | 0 | 0 | 0 | 111.8 | ||||
| 523 | N | 27.8 | Very low | 28.8 | Very low | 143 Ų | 143 | 140 Ų | 140 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | trans | 77.5 | 149.4 | 156.5 | -64.3 | -25.2 | 0 | 0 | 0 | 117.1 | ||||
| 524 | K | 32.1 | Very low | 28.8 | Very low | 163 Ų | 163 | 137.7 Ų | 137.7 | 71% | 0.709 | 75% | 0.753 | S | S | * | * | cis | -158.7 | 146.5 | 8.7 | -138.4 | -176.1 | -179.8 | -174.7 | 0 | 112.2 | ||||
| 525 | H | 33.9 | Very low | 28.9 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 62% | 0.62 | 75% | 0.746 | S | S | * | * | trans | 51.8 | 140.8 | 155.8 | -68.8 | -40.7 | 0 | 0 | 0 | 119.9 | ||||
| 526 | D | 26.3 | Very low | 29.1 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | 63.1 | 145.9 | 59.4 | -49.8 | -56.3 | 0 | 0 | 0 | 112 | |||||
| 527 | C | 28.3 | Very low | 28.9 | Very low | 116 Ų | 116 | 138.8 Ų | 138.8 | 78% | 0.784 | 74% | 0.736 | S | S | * | * | cis | -147.3 | 169.6 | 34.6 | -61.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 528 | Q | 24.4 | Very low | 29.1 | Very low | 181 Ų | 181 | 136.2 Ų | 136.2 | 85% | 0.846 | 73% | 0.728 | S | S | * | * | trans | -78.5 | 178.2 | 152.7 | -67.1 | -174.8 | -23.8 | 0 | 0 | 112 | ||||
| 529 | C | 22.8 | Very low | 29.2 | Very low | 99 Ų | 99 | 134.6 Ų | 134.6 | 67% | 0.669 | 72% | 0.717 | S | S | * | * | trans | 88.5 | 120.9 | 152.1 | -65.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 530 | K | 25.2 | Very low | 29.6 | Very low | 177 Ų | 177 | 136.6 Ų | 136.6 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | 44.1 | 110.5 | 127.3 | -56.3 | 176.2 | 179.8 | 178.3 | 0 | 118 | |||||
| 531 | H | 28.9 | Very low | 29.6 | Very low | 161 Ų | 161 | 133.3 Ų | 133.3 | 75% | 0.745 | 70% | 0.701 | S | S | * | * | -178.5 | 122.7 | 99.6 | -95.3 | -80.2 | 0 | 0 | 0 | 107.4 | |||||
| 532 | L | 24.4 | Very low | 29.6 | Very low | 138 Ų | 138 | 135 Ų | 135 | 72% | 0.723 | 70% | 0.702 | S | S | * | * | 86.2 | 147 | 83.5 | -151.1 | 157.9 | 0 | 0 | 0 | 111.5 | |||||
| 533 | I | 31.4 | Very low | 29.1 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 72% | 0.718 | 70% | 0.704 | S | S | * | * | trans | 95.6 | 100.4 | 175 | -52.4 | -179.4 | 0 | 0 | 0 | 116.4 | ||||
| 534 | N | 28.8 | Very low | 29.2 | Very low | 139 Ų | 139 | 134.5 Ų | 134.5 | 74% | 0.743 | 70% | 0.702 | S | S | * | * | trans | 53 | 113.3 | 138 | -67 | 9.2 | 0 | 0 | 0 | 123.5 | ||||
| 535 | S | 31.7 | Very low | 29 | Very low | 90 Ų | 90 | 134.8 Ų | 134.8 | 63% | 0.629 | 71% | 0.706 | S | S | * | * | 79.2 | 117.4 | 109 | -54.1 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 536 | N | 30.1 | Very low | 28.8 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 70% | 0.695 | 71% | 0.708 | S | S | * | * | 83.8 | 122.9 | 127.4 | -66 | 7.7 | 0 | 0 | 0 | 121 | |||||
| 537 | H | 32.4 | Very low | 28.9 | Very low | 150 Ų | 150 | 134 Ų | 134 | 69% | 0.694 | 71% | 0.71 | S | S | * | * | trans | 71.4 | 123.1 | 147.3 | -64.8 | -37.1 | 0 | 0 | 0 | 116.7 | ||||
| 538 | N | 29.9 | Very low | 29 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 65% | 0.647 | 71% | 0.714 | S | S | * | * | 64.2 | 132.3 | 70 | -67 | 30.6 | 0 | 0 | 0 | 110.8 | |||||
| 539 | H | 32.2 | Very low | 29.3 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 63% | 0.63 | 71% | 0.713 | S | S | * | * | cis | -154 | 157.6 | 21 | -113.7 | -61.9 | 0 | 0 | 0 | 111.4 | ||||
| 540 | H | 32.6 | Very low | 29.9 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | trans | 63.4 | 159.8 | 142.2 | -71.5 | -37.6 | 0 | 0 | 0 | 119.9 | ||||
| 541 | S | 30.7 | Very low | 30.1 | Very low | 74 Ų | 74 | 132.7 Ų | 132.7 | 52% | 0.517 | 72% | 0.721 | S | S | . | * | cis | -169.1 | 151.1 | -20.8 | -110.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 542 | M | 28.5 | Very low | 30.5 | Very low | 157 Ų | 157 | 131.8 Ų | 131.8 | 77% | 0.773 | 72% | 0.72 | S | S | * | * | trans | 58.2 | 154.9 | 139.5 | -54 | -70.2 | 178.1 | 0 | 0 | 118.4 | ||||
| 543 | N | 28.3 | Very low | 30.7 | Very low | 128 Ų | 128 | 132.5 Ų | 132.5 | 68% | 0.684 | 73% | 0.725 | S | S | * | * | cis | -160.5 | 176.8 | -11.2 | -118.2 | -14.7 | 0 | 0 | 0 | 110.1 | ||||
| 544 | S | 29.6 | Very low | 30.9 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 71% | 0.713 | 72% | 0.721 | S | S | * | * | trans | 66.9 | 146 | 154.3 | 43.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 545 | E | 29.2 | Very low | 31.3 | Very low | 169 Ų | 169 | 128.6 Ų | 128.6 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | cis | -161.1 | 170.1 | -5.9 | -120.4 | -176.4 | 157.9 | 0 | 0 | 114.3 | ||||
| 546 | L | 29.1 | Very low | 31.3 | Very low | 129 Ų | 129 | 131 Ų | 131 | 68% | 0.675 | 73% | 0.726 | S | S | * | * | trans | 51.2 | 110 | 151.1 | -97.7 | 65.6 | 0 | 0 | 0 | 124.5 | ||||
| 547 | T | 28.8 | Very low | 31.4 | Very low | 124 Ų | 124 | 131 Ų | 131 | 76% | 0.761 | 73% | 0.726 | S | S | * | * | 45.6 | 130.8 | 121 | 62.3 | 0 | 0 | 0 | 0 | 124 | |||||
| 548 | A | 31 | Very low | 31.5 | Very low | 103 Ų | 103 | 129 Ų | 129 | 85% | 0.851 | 73% | 0.725 | S | S | * | * | -161.8 | 161.4 | 122.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 549 | H | 30.2 | Very low | 31.6 | Very low | 180 Ų | 180 | 130.9 Ų | 130.9 | 83% | 0.833 | 74% | 0.735 | S | S | * | * | trans | -116.6 | 161.6 | -176.8 | -83.6 | -82.5 | 0 | 0 | 0 | 113.7 | ||||
| 550 | T | 34 | Very low | 31.5 | Very low | 142 Ų | 142 | 131.1 Ų | 131.1 | 87% | 0.871 | 74% | 0.741 | S | S | * | * | trans | -154.6 | 158 | 145 | 1 | 0 | 0 | 0 | 0 | 112 | ||||
| 551 | T | 31.2 | Very low | 31.5 | Very low | 119 Ų | 119 | 129 Ų | 129 | 73% | 0.73 | 74% | 0.743 | S | S | * | * | trans | -152.6 | -177.5 | -172.9 | 57.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 552 | I | 35.9 | Very low | 31.5 | Very low | 142 Ų | 142 | 132 Ų | 132 | 73% | 0.728 | 75% | 0.752 | S | S | * | * | cis | -158.3 | 157.6 | 13.2 | -161.4 | 167.1 | 0 | 0 | 0 | 111 | ||||
| 553 | D | 30 | Very low | 31.7 | Very low | 154 Ų | 154 | 131.2 Ų | 131.2 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | trans | -164.3 | 118.4 | 142.9 | -99.5 | -26.4 | 0 | 0 | 0 | 108 | ||||
| 554 | A | 35.7 | Very low | 31.8 | Very low | 76 Ų | 76 | 132.5 Ų | 132.5 | 63% | 0.628 | 76% | 0.756 | S | S | * | * | 92.8 | 130.7 | 56.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 555 | T | 36.5 | Very low | 31.6 | Very low | 120 Ų | 120 | 139 Ų | 139 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | cis | -146.5 | 148.2 | 24.5 | 50.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 556 | N | 32.4 | Very low | 31.6 | Very low | 142 Ų | 142 | 136.2 Ų | 136.2 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | trans | 41.1 | 147.3 | 131.3 | -51.8 | -14.2 | 0 | 0 | 0 | 121.8 | ||||
| 557 | N | 32.1 | Very low | 31.6 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 69% | 0.69 | 77% | 0.771 | S | S | * | * | cis | -163.3 | 151.2 | 7.1 | -134.6 | -7.1 | 0 | 0 | 0 | 113 | ||||
| 558 | T | 33.8 | Very low | 31.5 | Very low | 109 Ų | 109 | 135.8 Ų | 135.8 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | trans | 48.9 | 139.1 | 154 | 56.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 559 | N | 31.8 | Very low | 31.3 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | cis | -156.6 | 164.1 | 6.8 | -108.5 | -15.4 | 0 | 0 | 0 | 110.9 | ||||
| 560 | N | 29.4 | Very low | 31.2 | Very low | 141 Ų | 141 | 137 Ų | 137 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | trans | -121.6 | 134.9 | -171 | -115 | -23.1 | 0 | 0 | 0 | 114.5 | I562 | N560-I562 HydrophobicContact CB-CD1 4.46Š| ||
| 561 | S | 33 | Very low | 30.9 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | 174.9 | 105.5 | 147 | 25.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 562 | I | 31.5 | Very low | 30.8 | Very low | 136 Ų | 136 | 136.5 Ų | 136.5 | 70% | 0.697 | 78% | 0.78 | S | S | * | * | 60.1 | 109.1 | 60.3 | -42.9 | 160.1 | 0 | 0 | 0 | 107.7 | N560 | N560-I562 HydrophobicContact CB-CD1 4.46Š| |||
| 563 | I | 31.8 | Very low | 30.5 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 73% | 0.728 | 78% | 0.783 | S | S | * | * | -152.3 | 153.7 | 57.9 | -76 | 176.8 | 0 | 0 | 0 | 112.9 | |||||
| 564 | N | 30.3 | Very low | 30.6 | Very low | 154 Ų | 154 | 136.6 Ų | 136.6 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | 66.3 | 109.7 | 160.4 | -73.1 | -2 | 0 | 0 | 0 | 123.1 | ||||
| 565 | R | 25.9 | Very low | 30.4 | Very low | 239 Ų | 239 | 139 Ų | 139 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | trans | -60.1 | 166.7 | 139.6 | -48.5 | 166.4 | 176.2 | 153.8 | -3.4 | 109.5 | ||||
| 566 | S | 28.7 | Very low | 30.2 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | cis | -155.8 | 140.7 | 15.2 | 40.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 567 | S | 29.9 | Very low | 30.1 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | -148.6 | 139.4 | 151.2 | 56.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 568 | C | 25.7 | Very low | 30.2 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 86% | 0.858 | 79% | 0.794 | S | S | * | * | trans | -92.2 | 112.9 | -172 | -62.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 569 | L | 27.1 | Very low | 30.1 | Very low | 166 Ų | 166 | 143.7 Ų | 143.7 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | trans | -134.8 | 96.7 | 163.7 | -84.6 | 172.4 | 0 | 0 | 0 | 109.4 | S571 | L569-S571 PolarHBondContact O-N 3.34Š| ||
| 570 | T | 29.6 | Very low | 30.1 | Very low | 142 Ų | 142 | 143.7 Ų | 143.7 | 87% | 0.871 | 79% | 0.788 | S | S | * | * | trans | -81.4 | 103.7 | 171.9 | 47.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 571 | S | 27.2 | Very low | 30.2 | Very low | 114 Ų | 114 | 143.7 Ų | 143.7 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -103.2 | 122.4 | 160.1 | 47.3 | 0 | 0 | 0 | 0 | 109.3 | L569 | L569-S571 PolarHBondContact O-N 3.34Š| ||
| 572 | T | 27.9 | Very low | 30.1 | Very low | 137 Ų | 137 | 145.2 Ų | 145.2 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | -95.8 | 130 | -179.9 | 39.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 573 | T | 29.4 | Very low | 30 | Very low | 128 Ų | 128 | 144 Ų | 144 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -137.8 | 118.9 | 162 | 43.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 574 | N | 32.2 | Very low | 29.9 | Very low | 170 Ų | 170 | 142.3 Ų | 142.3 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -117.3 | 125.3 | 164 | -94.5 | -12.2 | 0 | 0 | 0 | 106.9 | ||||
| 575 | N | 32 | Very low | 29.9 | Very low | 128 Ų | 128 | 142.3 Ų | 142.3 | 68% | 0.684 | 79% | 0.792 | S | S | * | * | trans | -86.5 | 134 | 174 | -66.5 | -30.6 | 0 | 0 | 0 | 109.6 | ||||
| 576 | Y | 31.8 | Very low | 29.9 | Very low | 210 Ų | 210 | 142.5 Ų | 142.5 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | -177 | 157.9 | 89 | -99.5 | -71.7 | 0 | 0 | 0 | 112.4 | |||||
| 577 | N | 31.2 | Very low | 29.9 | Very low | 131 Ų | 131 | 146 Ų | 146 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | -84.5 | 161 | -174.2 | -61.9 | -37.9 | 0 | 0 | 0 | 111.2 | ||||
| 578 | H | 33.5 | Very low | 29.7 | Very low | 164 Ų | 164 | 145.4 Ų | 145.4 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | -171.3 | 139.2 | 65.1 | -113.4 | -77.2 | 0 | 0 | 0 | 115.5 | |||||
| 579 | S | 31.7 | Very low | 30.1 | Very low | 92 Ų | 92 | 144.5 Ų | 144.5 | 64% | 0.643 | 79% | 0.787 | S | S | * | * | trans | 49.4 | 144.1 | 140.7 | 58.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 580 | H | 32.3 | Very low | 30.2 | Very low | 159 Ų | 159 | 143.4 Ų | 143.4 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | cis | -165.7 | 133.1 | -7.4 | -120.1 | -64.1 | 0 | 0 | 0 | 110 | ||||
| 581 | N | 32.3 | Very low | 29.9 | Very low | 141 Ų | 141 | 148.4 Ų | 148.4 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | 154.8 | 111.4 | 129.6 | -81.2 | -17.2 | 0 | 0 | 0 | 114.2 | |||||
| 582 | N | 30.5 | Very low | 29.8 | Very low | 142 Ų | 142 | 149.1 Ų | 149.1 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | 10.8 | 143.6 | 143.6 | -52.5 | 1.1 | 0 | 0 | 0 | 120.5 | ||||
| 583 | S | 28.3 | Very low | 29.7 | Very low | 111 Ų | 111 | 154.3 Ų | 154.3 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | cis | -174.4 | 118.6 | -13.3 | 47.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 584 | S | 30.4 | Very low | 29.5 | Very low | 107 Ų | 107 | 156.8 Ų | 156.8 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -155.3 | 150.5 | 168.4 | 58.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 585 | D | 30.5 | Very low | 29.1 | Very low | 154 Ų | 154 | 155.8 Ų | 155.8 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | 55.5 | 108.3 | 157.9 | -50.7 | -38.7 | 0 | 0 | 0 | 120.9 | ||||
| 586 | Y | 26.3 | Very low | 28.8 | Very low | 242 Ų | 242 | 156.8 Ų | 156.8 | 95% | 0.949 | 78% | 0.781 | S | S | * | * | trans | -103.3 | 112 | 158.9 | -109 | -82.5 | 0 | 0 | 0 | 110.3 | ||||
| 587 | Q | 28.1 | Very low | 28.7 | Very low | 185 Ų | 185 | 152.7 Ų | 152.7 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | -143.3 | 129.9 | 159 | -95 | -169.3 | 2.2 | 0 | 0 | 106.5 | ||||
| 588 | S | 26.3 | Very low | 28.4 | Very low | 104 Ų | 104 | 152 Ų | 152 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | 163.6 | -178.4 | 72.6 | 55.2 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 589 | P | 34.3 | Very low | 28.2 | Very low | 108 Ų | 108 | 151.3 Ų | 151.3 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | cis | -133.1 | -165.5 | -29 | 22.6 | 2.1 | 0 | 0 | 0 | 113.1 | ||||
| 590 | I | 28.6 | Very low | 28.1 | Very low | 142 Ų | 142 | 156.3 Ų | 156.3 | 73% | 0.728 | 80% | 0.801 | S | S | * | * | trans | 73.7 | 90.1 | 157.9 | -35.2 | -171.7 | 0 | 0 | 0 | 118.2 | L592 | I590-L592 HydrophobicContact CG2-CG 4.31Š| ||
| 591 | R | 23.2 | Very low | 28 | Very low | 247 Ų | 247 | 160.1 Ų | 160.1 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | trans | -111.1 | 141.3 | 131 | -84.2 | -173.7 | 169 | -163.4 | -2.7 | 108.2 | ||||
| 592 | L | 25.6 | Very low | 27.8 | Very low | 130 Ų | 130 | 159.7 Ų | 159.7 | 68% | 0.681 | 81% | 0.806 | S | S | * | * | trans | -119.4 | 115.7 | 166.2 | -73 | 173.2 | 0 | 0 | 0 | 109.9 | I590 F594 | I590-L592 HydrophobicContact CG2-CG 4.31Å; L592-F594 HydrophobicContact CB-CE2 4.34Å; L592-F594 HydrophobicContact CD1-CE2 4.12Å | ||
| 593 | R | 24.4 | Very low | 27.8 | Very low | 246 Ų | 246 | 159.5 Ų | 159.5 | 93% | 0.928 | 81% | 0.805 | S | S | * | * | trans | -92.2 | 134.1 | 148.7 | -84.4 | -178.9 | 167.8 | 176.4 | -4.6 | 106.3 | ||||
| 594 | F | 25.3 | Very low | 28 | Very low | 180 Ų | 180 | 161.5 Ų | 161.5 | 79% | 0.789 | 81% | 0.807 | S | S | * | * | trans | -99.5 | 126.1 | 160.8 | -82.4 | -82.2 | 0 | 0 | 0 | 109.3 | L592 | L592-F594 HydrophobicContact CB-CE2 4.34Å; L592-F594 HydrophobicContact CD1-CE2 4.12Å | ||
| 595 | N | 24.2 | Very low | 28 | Very low | 149 Ų | 149 | 160.4 Ų | 160.4 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -158.9 | 125.7 | 149.9 | -132.7 | 7.8 | 0 | 0 | 0 | 108.7 | ||||
| 596 | L | 25.5 | Very low | 28.1 | Very low | 148 Ų | 148 | 158.1 Ų | 158.1 | 78% | 0.775 | 81% | 0.809 | S | S | * | * | trans | 53.5 | 108.7 | 163.7 | -61.5 | 165.5 | 0 | 0 | 0 | 118.4 | ||||
| 597 | P | 29.4 | Very low | 28.3 | Very low | 125 Ų | 125 | 154.6 Ų | 154.6 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | trans | -83.8 | 134 | 159.7 | 33.5 | -29.8 | 0 | 0 | 0 | 111.2 | ||||
| 598 | S | 26.7 | Very low | 28.4 | Very low | 115 Ų | 115 | 150.9 Ų | 150.9 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -144.8 | 104.4 | 163.4 | -63.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 599 | N | 28.4 | Very low | 29.1 | Very low | 150 Ų | 150 | 151.7 Ų | 151.7 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | -126.8 | 114.8 | -178.8 | -89.7 | -0.9 | 0 | 0 | 0 | 109.4 | ||||
| 600 | E | 29.4 | Very low | 28.7 | Very low | 198 Ų | 198 | 150.9 Ų | 150.9 | 93% | 0.925 | 81% | 0.805 | S | S | * | * | trans | -132.3 | 162 | 145 | -74.2 | -157 | 142.8 | 0 | 0 | 108.5 | ||||
| 601 | W | 29.7 | Very low | 28.8 | Very low | 238 Ų | 238 | 152.3 Ų | 152.3 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | -92.6 | 148.6 | -154.1 | -72.3 | -38.4 | 0 | 0 | 0 | 116.3 | ||||
| 602 | N | 27.7 | Very low | 29 | Very low | 133 Ų | 133 | 144.9 Ų | 144.9 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | 19.1 | 129.8 | 141.2 | -59.5 | -14.1 | 0 | 0 | 0 | 119 | ||||
| 603 | N | 32.3 | Very low | 29.2 | Very low | 137 Ų | 137 | 144.9 Ų | 144.9 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | -165.7 | 138 | 97.5 | -97.9 | -41.3 | 0 | 0 | 0 | 114.5 | |||||
| 604 | N | 31.6 | Very low | 29.6 | Very low | 154 Ų | 154 | 141 Ų | 141 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | 52.1 | 123.1 | 147.7 | -53.3 | -29 | 0 | 0 | 0 | 120.7 | ||||
| 605 | G | 31.6 | Very low | 29.8 | Very low | 84 Ų | 84 | 142.8 Ų | 142.8 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | trans | 171.3 | 67.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 606 | S | 31.9 | Very low | 29.9 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | -62.5 | 149.3 | -170.3 | 55.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 607 | L | 31.1 | Very low | 29.9 | Very low | 167 Ų | 167 | 137.9 Ų | 137.9 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | 84.7 | 161 | 149.6 | -72 | 161.2 | 0 | 0 | 0 | 120.5 | ||||
| 608 | S | 30.1 | Very low | 29.7 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -133.8 | -171.3 | -159 | -47.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 609 | P | 39.3 | Very low | 29.8 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | -131.8 | -170.8 | -81.5 | 41.6 | -25.4 | 0 | 0 | 0 | 113.8 | |||||
| 610 | A | 27 | Very low | 29.7 | Very low | 90 Ų | 90 | 143.3 Ų | 143.3 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | trans | 76.7 | 125.3 | 159.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 611 | I | 31.3 | Very low | 29.9 | Very low | 173 Ų | 173 | 139 Ų | 139 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | -168 | 169.3 | 113.2 | -93.3 | 157.6 | 0 | 0 | 0 | 107.6 | |||||
| 612 | S | 26.9 | Very low | 29.6 | Very low | 90 Ų | 90 | 132.5 Ų | 132.5 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | trans | -99.3 | 174 | -164.8 | 53.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 613 | D | 29.5 | Very low | 29.8 | Very low | 131 Ų | 131 | 132.7 Ų | 132.7 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | 99.7 | 139.4 | 145 | -72.7 | -61.5 | 0 | 0 | 0 | 123.4 | ||||
| 614 | Q | 31.9 | Very low | 29.6 | Very low | 163 Ų | 163 | 134.2 Ų | 134.2 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | 77.2 | 95.4 | 148.7 | -72.6 | 164.2 | 47.9 | 0 | 0 | 122.8 | ||||
| 615 | Y | 29.8 | Very low | 29.6 | Very low | 219 Ų | 219 | 132.8 Ų | 132.8 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | 54.5 | 124.8 | 113.8 | -90.3 | -90.1 | 0 | 0 | 0 | 123.2 | |||||
| 616 | S | 26.9 | Very low | 29.6 | Very low | 96 Ų | 96 | 136.5 Ų | 136.5 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | trans | 76.2 | 95.6 | 136.1 | -87.4 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 617 | S | 25.4 | Very low | 29.6 | Very low | 98 Ų | 98 | 139 Ų | 139 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | 61 | 125.8 | 109.3 | 64.6 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 618 | E | 25.6 | Very low | 29.5 | Very low | 181 Ų | 181 | 134.6 Ų | 134.6 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | trans | 73.5 | 119.1 | 152.4 | -63.2 | -175.4 | -173.4 | 0 | 0 | 120.8 | ||||
| 619 | I | 29.6 | Very low | 29.7 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | 178.6 | 145.9 | 107.5 | -89.4 | 165.5 | 0 | 0 | 0 | 110.7 | |||||
| 620 | L | 24.3 | Very low | 29.1 | Very low | 159 Ų | 159 | 135.8 Ų | 135.8 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -97.4 | 177.2 | 177.7 | -82.1 | 166.7 | 0 | 0 | 0 | 110.5 | ||||
| 621 | P | 33.8 | Very low | 29.3 | Very low | 107 Ų | 107 | 135.4 Ų | 135.4 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | cis | -152.1 | 178.5 | 25.6 | 43.4 | -21.3 | 0 | 0 | 0 | 120.5 | ||||
| 622 | S | 24.6 | Very low | 29.3 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | trans | 66.7 | 122.2 | 142 | 67.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 623 | V | 31.3 | Very low | 29.4 | Very low | 136 Ų | 136 | 134.1 Ų | 134.1 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | -145.8 | 114 | 128 | 167.6 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 624 | F | 28.7 | Very low | 29.5 | Very low | 169 Ų | 169 | 135.2 Ų | 135.2 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | 34.2 | 124.4 | 156.9 | -70.8 | -99.4 | 0 | 0 | 0 | 123.8 | ||||
| 625 | P | 31.3 | Very low | 29.5 | Very low | 124 Ų | 124 | 131 Ų | 131 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | trans | -119.9 | 147.2 | 138.9 | 36.8 | -28.2 | 0 | 0 | 0 | 112.6 | ||||
| 626 | K | 32.3 | Very low | 29.5 | Very low | 163 Ų | 163 | 127.3 Ų | 127.3 | 71% | 0.709 | 79% | 0.789 | S | S | * | * | trans | -152.1 | 128.1 | 169.8 | -78.9 | -165.2 | 177.8 | 179.1 | 0 | 115 | ||||
| 627 | N | 30.7 | Very low | 29.6 | Very low | 157 Ų | 157 | 127.8 Ų | 127.8 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | 50.5 | 136.7 | 134.4 | -52.2 | 4.5 | 0 | 0 | 0 | 122.8 | ||||
| 628 | G | 28.3 | Very low | 29.7 | Very low | 76 Ų | 76 | 130.5 Ų | 130.5 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | trans | 129.2 | 118.7 | 137.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 629 | P | 35.4 | Very low | 29.7 | Very low | 128 Ų | 128 | 128.2 Ų | 128.2 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | trans | -109.4 | 166.9 | 174.9 | 39.3 | -32.7 | 0 | 0 | 0 | 115.1 | ||||
| 630 | S | 26.2 | Very low | 29.5 | Very low | 126 Ų | 126 | 125.6 Ų | 125.6 | 88% | 0.881 | 79% | 0.787 | S | S | * | * | trans | 90 | 159.2 | 158.3 | -152.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 631 | A | 32.3 | Very low | 29.5 | Very low | 81 Ų | 81 | 124.8 Ų | 124.8 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | trans | 81.1 | 103.2 | 171 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 632 | N | 30.8 | Very low | 29.2 | Very low | 163 Ų | 163 | 125.3 Ų | 125.3 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | trans | 70.6 | 90.5 | 133.3 | -57.6 | -4.2 | 0 | 0 | 0 | 121.3 | ||||
| 633 | G | 28.4 | Very low | 29.2 | Very low | 73 Ų | 73 | 128.1 Ų | 128.1 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | 88.1 | 112.5 | 97.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 634 | T | 32.5 | Very low | 29 | Very low | 155 Ų | 155 | 125.4 Ų | 125.4 | 95% | 0.951 | 79% | 0.79 | S | S | * | * | -173 | 125.5 | 108 | 37.7 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 635 | G | 30.4 | Very low | 28.9 | Very low | 74 Ų | 74 | 124.1 Ų | 124.1 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | S | Bend | trans | 162.9 | 43.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 636 | V | 30.8 | Very low | 28.8 | Very low | 141 Ų | 141 | 124 Ų | 124 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | 34.1 | 91.7 | 152.7 | -168.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 637 | S | 28.3 | Very low | 28.8 | Very low | 107 Ų | 107 | 121.9 Ų | 121.9 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | 80.3 | 140.9 | 83.6 | -177.5 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 638 | L | 28.8 | Very low | 29 | Very low | 155 Ų | 155 | 120.1 Ų | 120.1 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | cis | -165.3 | 164.3 | -24 | -172.9 | 62.9 | 0 | 0 | 0 | 107.7 | ||||
| 639 | D | 25 | Very low | 29.3 | Very low | 133 Ų | 133 | 122.7 Ų | 122.7 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | -74.9 | 147.1 | -175.5 | -54.3 | -87.2 | 0 | 0 | 0 | 117.1 | ||||
| 640 | C | 25.6 | Very low | 29.2 | Very low | 108 Ų | 108 | 123 Ų | 123 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | trans | 63.2 | 160.5 | 136.9 | 76.1 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 641 | I | 25 | Very low | 29.6 | Very low | 142 Ų | 142 | 122 Ų | 122 | 73% | 0.728 | 75% | 0.754 | S | S | * | * | trans | 91.8 | 117.2 | 161.3 | -59.4 | 171.1 | 0 | 0 | 0 | 119.2 | ||||
| 642 | T | 26.5 | Very low | 29.6 | Very low | 118 Ų | 118 | 122.8 Ų | 122.8 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | trans | 65.3 | 137.8 | 158.1 | 52.7 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 643 | N | 24.9 | Very low | 29.6 | Very low | 161 Ų | 161 | 122.7 Ų | 122.7 | 86% | 0.861 | 75% | 0.749 | S | S | * | * | trans | 28.2 | 127.2 | 136.3 | -54.2 | -0.6 | 0 | 0 | 0 | 119.9 | ||||
| 644 | G | 26.6 | Very low | 29.5 | Very low | 79 Ų | 79 | 125.5 Ų | 125.5 | 81% | 0.814 | 75% | 0.745 | S | S | * | * | trans | 177.1 | 64.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 645 | N | 27.1 | Very low | 29.4 | Very low | 142 Ų | 142 | 125.5 Ų | 125.5 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | trans | -16.3 | 144.2 | 163.8 | -90.7 | 34.9 | 0 | 0 | 0 | 119.3 | ||||
| 646 | N | 29.5 | Very low | 29.2 | Very low | 121 Ų | 121 | 127.2 Ų | 127.2 | 65% | 0.647 | 74% | 0.737 | S | S | * | * | trans | 91 | 123.5 | 136.9 | -72.8 | 23.6 | 0 | 0 | 0 | 120.9 | ||||
| 647 | N | 31.3 | Very low | 29.3 | Very low | 119 Ų | 119 | 126.5 Ų | 126.5 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | 79.7 | 144.4 | 129.2 | -67.5 | 40.6 | 0 | 0 | 0 | 118.3 | |||||
| 648 | D | 35.7 | Very low | 29.4 | Very low | 121 Ų | 121 | 127.8 Ų | 127.8 | 65% | 0.647 | 74% | 0.738 | S | S | * | * | cis | -155.4 | 176.6 | 2.5 | -117.3 | -20.3 | 0 | 0 | 0 | 113.4 | ||||
| 649 | D | 35.1 | Very low | 29.3 | Very low | 130 Ų | 130 | 126.9 Ų | 126.9 | 70% | 0.695 | 73% | 0.731 | S | S | * | * | trans | 75.2 | 137 | 151.8 | -70.7 | -19.9 | 0 | 0 | 0 | 122.1 | ||||
| 650 | N | 32.6 | Very low | 29.3 | Very low | 135 Ų | 135 | 129.3 Ų | 129.3 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | cis | -164.8 | 168.7 | -26.5 | -141 | -44.2 | 0 | 0 | 0 | 112.5 | ||||
| 651 | S | 33.5 | Very low | 29.5 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | trans | 65.4 | 142.1 | 169.7 | 68.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 652 | S | 33.4 | Very low | 29.4 | Very low | 96 Ų | 96 | 127.8 Ų | 127.8 | 67% | 0.671 | 73% | 0.731 | S | S | * | * | cis | -174.3 | 152.5 | -9.1 | 46.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 653 | E | 29.8 | Very low | 29.4 | Very low | 162 Ų | 162 | 132.7 Ų | 132.7 | 76% | 0.757 | 74% | 0.738 | S | S | * | * | cis | -164.8 | 154.2 | -11 | -102.8 | 179.5 | 84.4 | 0 | 0 | 110.6 | ||||
| 654 | I | 28.3 | Very low | 29.6 | Very low | 131 Ų | 131 | 128.8 Ų | 128.8 | 67% | 0.672 | 73% | 0.728 | S | S | * | * | trans | 24.1 | 131 | 135.5 | -31.4 | 174.5 | 0 | 0 | 0 | 117.8 | ||||
| 655 | I | 29.7 | Very low | 29.6 | Very low | 156 Ų | 156 | 133 Ų | 133 | 80% | 0.8 | 73% | 0.727 | S | S | * | * | -147.5 | 122.8 | 51.5 | -62.5 | 159.1 | 0 | 0 | 0 | 115.3 | |||||
| 656 | C | 26 | Very low | 29.8 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | trans | 33.5 | 131.4 | 141.6 | -53.3 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 657 | P | 32.8 | Very low | 29.8 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | trans | -119.9 | -178.1 | 165.8 | 43.3 | -32.8 | 0 | 0 | 0 | 115.2 | ||||
| 658 | V | 30.1 | Very low | 29.8 | Very low | 134 Ų | 134 | 132.6 Ų | 132.6 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | trans | -144 | 108.4 | 165.6 | -174.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 659 | M | 26.2 | Very low | 29.5 | Very low | 137 Ų | 137 | 131.9 Ų | 131.9 | 68% | 0.675 | 72% | 0.715 | S | S | * | * | 49.5 | 142 | 97.1 | -61.3 | -153.4 | 85.2 | 0 | 0 | 116.8 | |||||
| 660 | F | 26.8 | Very low | 29.2 | Very low | 184 Ų | 184 | 131.6 Ų | 131.6 | 81% | 0.807 | 71% | 0.707 | S | S | * | * | cis | -126.6 | 167.5 | 13.9 | -97.3 | -96.4 | 0 | 0 | 0 | 113.3 | ||||
| 661 | P | 28.9 | Very low | 29.1 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 69% | 0.688 | 69% | 0.694 | S | S | * | * | trans | -112.1 | 172 | -170.2 | 41.4 | -31.7 | 0 | 0 | 0 | 116.9 | ||||
| 662 | V | 23.1 | Very low | 29 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 67% | 0.673 | 69% | 0.691 | S | S | * | * | trans | -62.2 | 169.7 | 159.9 | -107.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 663 | Y | 26.4 | Very low | 28.9 | Very low | 221 Ų | 221 | 131.2 Ų | 131.2 | 87% | 0.867 | 69% | 0.692 | S | S | * | * | cis | -144.3 | -168.5 | 29.2 | -108.8 | -64.7 | 0 | 0 | 0 | 113 | ||||
| 664 | A | 28.1 | Very low | 28.9 | Very low | 79 Ų | 79 | 129.5 Ų | 129.5 | 65% | 0.653 | 69% | 0.687 | S | S | * | * | trans | -104.9 | 153.8 | -163.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 665 | E | 27.1 | Very low | 29 | Very low | 169 Ų | 169 | 130 Ų | 130 | 79% | 0.79 | 69% | 0.689 | S | S | * | * | trans | 44.1 | 142.5 | 146.7 | -58.2 | -178.3 | 171.8 | 0 | 0 | 121.6 | ||||
| 666 | N | 30.8 | Very low | 29 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 62% | 0.615 | 69% | 0.686 | S | S | * | * | cis | -164.3 | 142.3 | 45.6 | -109.2 | -62.9 | 0 | 0 | 0 | 114.5 | ||||
| 667 | N | 30.7 | Very low | 29.2 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 63% | 0.631 | 69% | 0.691 | S | S | * | * | trans | 67.3 | 147.8 | 146.9 | -55.7 | -32.4 | 0 | 0 | 0 | 125.2 | ||||
| 668 | H | 29.7 | Very low | 29 | Very low | 139 Ų | 139 | 128.1 Ų | 128.1 | 64% | 0.644 | 69% | 0.688 | S | S | * | * | trans | 71.1 | 122.5 | 174.8 | -52.3 | -72.7 | 0 | 0 | 0 | 117.8 | D901 | H668-D901 IonicContact CE1-OD2 2.72Å; H668-D901 IonicContact CG-OD2 3.98Å; H668-D901 IonicContact ND1-OD2 3.95Å; H668-D901 PolarHBondContact ND1-OD2 3.36Å | ||
| 669 | I | 29.9 | Very low | 29 | Very low | 107 Ų | 107 | 129.3 Ų | 129.3 | 55% | 0.549 | 69% | 0.69 | S | S | . | * | cis | 100.7 | 162.7 | 5.1 | -31.9 | 159.3 | 0 | 0 | 0 | 115.8 | T899 A900 | I669-T899 HydrophobicContact CG2-CG2 3.62Å; I669-A900 WeakPolarHBondContact CG2-O 3.45Å | ||
| 670 | K | 29.5 | Very low | 29.1 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 54% | 0.539 | 69% | 0.694 | S | S | . | * | trans | 47.4 | 133.8 | -144.4 | -80.5 | -141.8 | 178.5 | 114.3 | 0 | 116.6 | A900 D901 | K670-A900 WeakPolarHBondContact CG-O 3.43Å; K670-A900 PolarHBondContact N-O 2.86Å; K670-D901 HydrophobicContact CB-CB 4.49Å; K670-D901 WeakPolarHBondContact CE-O 3.3Å; K670-D901 HydrophobicContact CG-CB 3.98Å; K670-D901 PolarHBondContact NZ-O 3.13Å | ||
| 671 | A | 31.2 | Very low | 29.1 | Very low | 54 Ų | 54 | 126 Ų | 126 | 45% | 0.446 | 69% | 0.69 | S | S | . | * | cis | 78.8 | 133.7 | 32 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 672 | N | 31 | Very low | 29.1 | Very low | 123 Ų | 123 | 130.7 Ų | 130.7 | 66% | 0.658 | 70% | 0.695 | S | S | * | * | cis | -165.9 | 176.4 | 1.4 | -115.3 | 26.3 | 0 | 0 | 0 | 107.1 | ||||
| 673 | E | 30 | Very low | 29.3 | Very low | 150 Ų | 150 | 130 Ų | 130 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | cis | -169.5 | -163.4 | 8.4 | -141.2 | 172.5 | 107.2 | 0 | 0 | 111.9 | ||||
| 674 | I | 30.8 | Very low | 29.9 | Very low | 127 Ų | 127 | 124.4 Ų | 124.4 | 65% | 0.651 | 69% | 0.686 | S | S | * | * | trans | 96.9 | 107.1 | 138.2 | -89 | 159.5 | 0 | 0 | 0 | 123 | ||||
| 675 | I | 29.1 | Very low | 30.1 | Very low | 141 Ų | 141 | 128.6 Ų | 128.6 | 72% | 0.723 | 70% | 0.695 | S | S | * | * | trans | 60.5 | 128.8 | 138.7 | -45.3 | 167.5 | 0 | 0 | 0 | 118.9 | ||||
| 676 | T | 31.5 | Very low | 30.2 | Very low | 120 Ų | 120 | 126.7 Ų | 126.7 | 74% | 0.736 | 69% | 0.69 | S | S | * | * | -150.7 | 142.7 | 51.1 | 33.6 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 677 | N | 28.7 | Very low | 30.4 | Very low | 158 Ų | 158 | 128.7 Ų | 128.7 | 85% | 0.845 | 70% | 0.701 | S | S | * | * | trans | 16.7 | 142.6 | 138.1 | -49.9 | -13.1 | 0 | 0 | 0 | 123.8 | ||||
| 678 | G | 28.8 | Very low | 30.3 | Very low | 73 Ų | 73 | 129.8 Ų | 129.8 | 75% | 0.753 | 71% | 0.707 | S | S | * | * | trans | 164.6 | 85.3 | 149.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 679 | N | 30.6 | Very low | 30.5 | Very low | 159 Ų | 159 | 128 Ų | 128 | 85% | 0.85 | 71% | 0.71 | S | S | * | * | trans | 34.2 | 146.3 | 150.2 | -66.6 | 2.1 | 0 | 0 | 0 | 125.4 | ||||
| 680 | S | 28.7 | Very low | 30.5 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 76% | 0.755 | 72% | 0.718 | S | S | * | * | trans | 73 | 159.2 | 144.9 | -76.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 681 | M | 27.2 | Very low | 30.5 | Very low | 145 Ų | 145 | 129.6 Ų | 129.6 | 71% | 0.714 | 73% | 0.729 | S | S | * | * | cis | -176.3 | 140 | -34.5 | -112 | -160.8 | 172.8 | 0 | 0 | 108.3 | ||||
| 682 | Y | 28.8 | Very low | 30.3 | Very low | 203 Ų | 203 | 132.2 Ų | 132.2 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | trans | 63.1 | 161.9 | 153.7 | -79 | -120 | 0 | 0 | 0 | 117.2 | ||||
| 683 | S | 27 | Very low | 30.1 | Very low | 96 Ų | 96 | 134.4 Ų | 134.4 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | cis | -164.1 | 170 | -21.3 | 50.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 684 | P | 39.6 | Very low | 30.1 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | trans | -94.8 | -172.7 | -168.2 | 40 | -37 | 0 | 0 | 0 | 114.4 | ||||
| 685 | I | 32.2 | Very low | 30 | Very low | 167 Ų | 167 | 135 Ų | 135 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | trans | -131.3 | 145.4 | 158.7 | -64.3 | -179.4 | 0 | 0 | 0 | 107.4 | ||||
| 686 | D | 29.2 | Very low | 29.9 | Very low | 129 Ų | 129 | 135 Ų | 135 | 69% | 0.69 | 77% | 0.765 | S | S | * | * | trans | -106.6 | -152.5 | -167.4 | -59.8 | -82.8 | 0 | 0 | 0 | 113.6 | ||||
| 687 | D | 33.3 | Very low | 29.8 | Very low | 157 Ų | 157 | 135.6 Ų | 135.6 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | trans | 79 | 132 | 171.2 | -57.5 | -18.4 | 0 | 0 | 0 | 118.4 | ||||
| 688 | D | 30 | Very low | 29.9 | Very low | 141 Ų | 141 | 132.2 Ų | 132.2 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | cis | -161.6 | -177.7 | -17.4 | -171.6 | 19.5 | 0 | 0 | 0 | 109.7 | ||||
| 689 | S | 33.6 | Very low | 30 | Very low | 102 Ų | 102 | 136 Ų | 136 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | trans | 108.4 | 72.2 | 167.1 | 99.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 690 | T | 29.6 | Very low | 30.1 | Very low | 116 Ų | 116 | 134.4 Ų | 134.4 | 71% | 0.712 | 75% | 0.745 | S | S | * | * | 14.2 | 150.2 | 126.7 | 70.7 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 691 | L | 29.6 | Very low | 30.2 | Very low | 148 Ų | 148 | 136 Ų | 136 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | cis | -149.5 | 124.6 | 36.1 | -82.9 | 169.6 | 0 | 0 | 0 | 110.4 | ||||
| 692 | S | 27.6 | Very low | 30.4 | Very low | 109 Ų | 109 | 136 Ų | 136 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | 78.6 | 126.6 | 87.7 | 85.3 | 0 | 0 | 0 | 0 | 117 | |||||
| 693 | L | 26.4 | Very low | 30.3 | Very low | 170 Ų | 170 | 132.6 Ų | 132.6 | 89% | 0.89 | 73% | 0.734 | S | S | * | * | trans | -146.7 | 120.6 | -179.6 | -167.8 | 174.6 | 0 | 0 | 0 | 111.1 | ||||
| 694 | S | 29.3 | Very low | 30.5 | Very low | 111 Ų | 111 | 134.7 Ų | 134.7 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | -171.8 | 157.4 | 175.6 | 54.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 695 | K | 29.4 | Very low | 29.9 | Very low | 177 Ų | 177 | 134.2 Ų | 134.2 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | cis | -179.3 | 160.2 | -35 | -142.5 | -174.8 | 175.4 | -177 | 0 | 107.5 | ||||
| 696 | I | 27.7 | Very low | 29.7 | Very low | 141 Ų | 141 | 134.2 Ų | 134.2 | 72% | 0.723 | 74% | 0.736 | S | S | * | * | trans | 70.2 | 139.1 | 159 | -65.4 | 161.3 | 0 | 0 | 0 | 115.1 | ||||
| 697 | D | 29.5 | Very low | 29.5 | Very low | 133 Ų | 133 | 136 Ų | 136 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | cis | -171.2 | 172.5 | -15.3 | -107 | 72.3 | 0 | 0 | 0 | 104.7 | ||||
| 698 | S | 29 | Very low | 29.4 | Very low | 87 Ų | 87 | 133.9 Ų | 133.9 | 61% | 0.608 | 73% | 0.728 | S | S | * | * | cis | -177.5 | -173.7 | -25 | -87.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 699 | I | 32.1 | Very low | 29.3 | Very low | 153 Ų | 153 | 134.9 Ų | 134.9 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | 71.8 | 131.7 | 163.7 | -75.9 | 162.1 | 0 | 0 | 0 | 115.5 | ||||
| 700 | D | 31.7 | Very low | 29 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 67% | 0.668 | 73% | 0.728 | S | S | * | * | cis | -159.6 | 165.9 | 3.2 | -117.6 | -7.5 | 0 | 0 | 0 | 115.5 | ||||
| 701 | H | 31.5 | Very low | 28.9 | Very low | 141 Ų | 141 | 139.5 Ų | 139.5 | 65% | 0.653 | 73% | 0.733 | S | S | * | * | trans | 53.5 | 112.7 | 154.5 | -80.5 | -85.8 | 0 | 0 | 0 | 125.1 | ||||
| 702 | E | 30.7 | Very low | 28.9 | Very low | 147 Ų | 147 | 135.4 Ų | 135.4 | 69% | 0.687 | 73% | 0.726 | S | S | * | * | 86.3 | 115.4 | 122.5 | -82.1 | -174.2 | -132 | 0 | 0 | 127.1 | |||||
| 703 | N | 27.8 | Very low | 28.9 | Very low | 130 Ų | 130 | 138 Ų | 138 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | 90.3 | 144.5 | 124 | -80.4 | -31.1 | 0 | 0 | 0 | 124.6 | |||||
| 704 | N | 31.3 | Very low | 29 | Very low | 141 Ų | 141 | 136.8 Ų | 136.8 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | trans | 77.7 | 85.5 | 162.7 | -66.8 | -21.2 | 0 | 0 | 0 | 122.4 | ||||
| 705 | S | 26.6 | Very low | 28.8 | Very low | 94 Ų | 94 | 141.2 Ų | 141.2 | 66% | 0.657 | 73% | 0.731 | S | S | * | * | 64.3 | 142.2 | 112.1 | 71.9 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 706 | M | 28.4 | Very low | 28.7 | Very low | 167 Ų | 167 | 141.9 Ų | 141.9 | 82% | 0.823 | 74% | 0.736 | S | S | * | * | trans | 85 | 118.5 | 156 | -74.7 | -171.5 | -74.2 | 0 | 0 | 121.4 | ||||
| 707 | E | 25.2 | Very low | 28.6 | Very low | 166 Ų | 166 | 139.8 Ų | 139.8 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | trans | 39.8 | 116 | 141.5 | -50.4 | -169.3 | 151.7 | 0 | 0 | 121.6 | ||||
| 708 | N | 29.6 | Very low | 28.5 | Very low | 113 Ų | 113 | 141.7 Ų | 141.7 | 60% | 0.604 | 74% | 0.743 | S | S | * | * | -174.5 | 139.8 | 90.2 | -103.6 | -93.3 | 0 | 0 | 0 | 113.9 | |||||
| 709 | K | 27.7 | Very low | 28.4 | Very low | 161 Ų | 161 | 143.1 Ų | 143.1 | 70% | 0.7 | 74% | 0.743 | S | S | * | * | trans | 47.3 | 136.4 | 140.8 | -69.2 | 169.9 | -173.7 | 144 | 0 | 123.3 | ||||
| 710 | Q | 28.9 | Very low | 28.1 | Very low | 163 Ų | 163 | 141 Ų | 141 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | trans | 67.7 | 123.3 | 141.7 | -70.3 | 170.4 | -60.9 | 0 | 0 | 116.7 | ||||
| 711 | N | 27.3 | Very low | 28.1 | Very low | 153 Ų | 153 | 141.7 Ų | 141.7 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | cis | -156.1 | 175.2 | 22.5 | -81.2 | -38.1 | 0 | 0 | 0 | 111.3 | ||||
| 712 | G | 28.5 | Very low | 27.9 | Very low | 61 Ų | 61 | 138.8 Ų | 138.8 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | trans | 121.7 | 101.3 | 152.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 713 | D | 28.3 | Very low | 27.9 | Very low | 164 Ų | 164 | 139.1 Ų | 139.1 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | trans | 45.7 | 149.2 | 141.7 | -43.1 | -32.9 | 0 | 0 | 0 | 120.3 | ||||
| 714 | L | 27.7 | Very low | 28.1 | Very low | 145 Ų | 145 | 143 Ų | 143 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | cis | -154.7 | 131.6 | 14.1 | 179 | 71.6 | 0 | 0 | 0 | 108.1 | ||||
| 715 | F | 26.2 | Very low | 28.2 | Very low | 204 Ų | 204 | 145.6 Ų | 145.6 | 90% | 0.895 | 77% | 0.765 | S | S | * | * | trans | 169.9 | 102.5 | 147.7 | -95.6 | -59.3 | 0 | 0 | 0 | 110.7 | ||||
| 716 | H | 27.6 | Very low | 28.2 | Very low | 190 Ų | 190 | 147.3 Ų | 147.3 | 88% | 0.88 | 77% | 0.767 | S | S | * | * | trans | -134.3 | 124.9 | 170.7 | -118.6 | 2.5 | 0 | 0 | 0 | 112 | ||||
| 717 | S | 25.3 | Very low | 28.4 | Very low | 97 Ų | 97 | 146.6 Ų | 146.6 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | trans | 28.4 | 91.8 | 153.1 | -171.8 | 0 | 0 | 0 | 0 | 118.5 | N719 | S717-N719 PolarHBondContact O-N 3.01Š| ||
| 718 | I | 27.3 | Very low | 28.6 | Very low | 174 Ų | 174 | 142.6 Ų | 142.6 | 89% | 0.892 | 76% | 0.757 | S | S | * | * | trans | -86.5 | 90.4 | 146.5 | -58.1 | -179.6 | 0 | 0 | 0 | 107.5 | ||||
| 719 | N | 25.8 | Very low | 28.8 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 62% | 0.62 | 77% | 0.765 | S | S | * | * | trans | -144.4 | 141.3 | 164.4 | -162.1 | 47.6 | 0 | 0 | 0 | 106.2 | S717 | S717-N719 PolarHBondContact O-N 3.01Š| ||
| 720 | S | 27.7 | Very low | 28.9 | Very low | 109 Ų | 109 | 142.4 Ų | 142.4 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | trans | 69.6 | 112.3 | -162.9 | -49.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 721 | N | 30.1 | Very low | 29 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | -140.1 | 76.8 | 160.8 | -129.6 | 21.8 | 0 | 0 | 0 | 108.6 | F723 | N721-F723 WeakPolarHBondContact OD1-CD2 3.47Å; N721-F723 VanDerWaalsContact OD1-CE2 3.31Å; N721-F723 WeakPolarHBondContact OD1-CE2 3.25Å | ||
| 722 | G | 28.3 | Very low | 29.2 | Very low | 81 Ų | 81 | 137.5 Ų | 137.5 | 84% | 0.835 | 75% | 0.753 | S | S | * | * | trans | -119.2 | 87 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 723 | F | 30.7 | Very low | 29.5 | Very low | 154 Ų | 154 | 142.3 Ų | 142.3 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | trans | -92.3 | 136.3 | 179.2 | -92 | -86.4 | 0 | 0 | 0 | 111 | N721 | N721-F723 WeakPolarHBondContact OD1-CD2 3.47Å; N721-F723 VanDerWaalsContact OD1-CE2 3.31Å; N721-F723 WeakPolarHBondContact OD1-CE2 3.25Å | ||
| 724 | Y | 31.1 | Very low | 29.7 | Very low | 211 Ų | 211 | 143.3 Ų | 143.3 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | trans | -117.3 | 156.5 | 140.8 | -108.1 | -98.3 | 0 | 0 | 0 | 108.2 | ||||
| 725 | F | 33 | Very low | 30.5 | Very low | 195 Ų | 195 | 140.9 Ų | 140.9 | 86% | 0.855 | 75% | 0.751 | S | S | * | * | trans | -84.3 | 162.4 | -162.5 | -110.6 | -99 | 0 | 0 | 0 | 114.9 | ||||
| 726 | D | 26.7 | Very low | 30.8 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | trans | -61.2 | 148.5 | 173.2 | -177.5 | 32.8 | 0 | 0 | 0 | 113 | ||||
| 727 | D | 32.7 | Very low | 31 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | trans | -153.2 | 160.5 | 137.1 | -139.4 | -28.2 | 0 | 0 | 0 | 111 | ||||
| 728 | S | 30.1 | Very low | 31.5 | Very low | 81 Ų | 81 | 139.3 Ų | 139.3 | 57% | 0.566 | 74% | 0.735 | S | S | * | * | trans | -125.9 | -176.6 | -133.7 | 60.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 729 | V | 34.9 | Very low | 31.8 | Very low | 127 Ų | 127 | 137.7 Ų | 137.7 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | trans | 87.9 | 83.3 | 166.5 | -164.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 730 | N | 29.1 | Very low | 32.3 | Very low | 143 Ų | 143 | 139.1 Ų | 139.1 | 77% | 0.765 | 73% | 0.726 | S | S | * | * | 73.1 | 135.2 | 118.3 | -161 | 15.4 | 0 | 0 | 0 | 123.4 | |||||
| 731 | S | 31 | Very low | 32.5 | Very low | 82 Ų | 82 | 139.6 Ų | 139.6 | 57% | 0.573 | 72% | 0.72 | S | S | * | * | trans | 85.1 | 105.9 | 147.6 | -84.8 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 732 | N | 31.3 | Very low | 32.6 | Very low | 131 Ų | 131 | 141.6 Ų | 141.6 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | 75 | 117.6 | 122.8 | -76.9 | -56.8 | 0 | 0 | 0 | 123.8 | |||||
| 733 | H | 34.2 | Very low | 32.9 | Very low | 162 Ų | 162 | 145 Ų | 145 | 75% | 0.75 | 71% | 0.711 | S | S | * | * | trans | 60.7 | 95.7 | 131.1 | -77.6 | 92.2 | 0 | 0 | 0 | 122.5 | ||||
| 734 | H | 33.6 | Very low | 33.1 | Very low | 186 Ų | 186 | 143.2 Ų | 143.2 | 86% | 0.861 | 71% | 0.708 | S | S | * | * | trans | 71.9 | 157.2 | 134.4 | -103.4 | 52.2 | 0 | 0 | 0 | 120.4 | ||||
| 735 | P | 42.9 | Very low | 33.3 | Very low | 93 Ų | 93 | 139 Ų | 139 | 60% | 0.604 | 70% | 0.7 | S | S | * | * | trans | -113.2 | 167.9 | -154.4 | 41.8 | -35 | 0 | 0 | 0 | 115.6 | ||||
| 736 | H | 33.8 | Very low | 33.4 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 78% | 0.778 | 69% | 0.692 | S | S | * | * | trans | -171.7 | 140.6 | 132.5 | -94.8 | -56.6 | 0 | 0 | 0 | 114.4 | ||||
| 737 | H | 32.1 | Very low | 33.9 | Very low | 147 Ų | 147 | 137.3 Ų | 137.3 | 68% | 0.681 | 70% | 0.7 | S | S | * | * | trans | 54.5 | 126.1 | 148.6 | -79.7 | -79.3 | 0 | 0 | 0 | 126 | ||||
| 738 | H | 35.8 | Very low | 34.2 | Very low | 144 Ų | 144 | 134.6 Ų | 134.6 | 67% | 0.667 | 69% | 0.693 | S | S | * | * | 95.6 | 104.8 | 129.9 | -76.8 | -42.1 | 0 | 0 | 0 | 124.4 | |||||
| 739 | H | 32.2 | Very low | 34.7 | Very low | 140 Ų | 140 | 138.5 Ų | 138.5 | 65% | 0.648 | 71% | 0.707 | S | S | * | * | 60.6 | 122.1 | 126.4 | -85.6 | -54.1 | 0 | 0 | 0 | 123.7 | |||||
| 740 | H | 36.6 | Very low | 35 | Very low | 145 Ų | 145 | 139.4 Ų | 139.4 | 67% | 0.671 | 71% | 0.708 | S | S | * | * | trans | 65.3 | 147.5 | 141.1 | -70.3 | -50.7 | 0 | 0 | 0 | 118.3 | ||||
| 741 | N | 33.3 | Very low | 35.8 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | cis | -158.8 | 160.9 | 2.1 | -125.3 | -10.2 | 0 | 0 | 0 | 113 | ||||
| 742 | Y | 31.4 | Very low | 36.5 | Very low | 181 Ų | 181 | 142 Ų | 142 | 71% | 0.71 | 72% | 0.72 | S | S | * | * | trans | 72 | 115.3 | 147.5 | -91.9 | -126.8 | 0 | 0 | 0 | 123.1 | ||||
| 743 | F | 34.4 | Very low | 37.3 | Very low | 154 Ų | 154 | 141.5 Ų | 141.5 | 68% | 0.675 | 71% | 0.711 | S | S | * | * | 71.1 | 123.3 | 127.9 | -85 | -104.2 | 0 | 0 | 0 | 123.2 | |||||
| 744 | D | 35.8 | Very low | 38.3 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 62% | 0.615 | 69% | 0.694 | S | S | * | * | trans | 71.2 | 103.2 | 132.2 | -79.4 | 33.6 | 0 | 0 | 0 | 123.6 | ||||
| 745 | N | 35.1 | Very low | 39.3 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 65% | 0.652 | 68% | 0.679 | S | S | * | * | 120.3 | 134.7 | 105.5 | -79.2 | -22.2 | 0 | 0 | 0 | 119.8 | |||||
| 746 | N | 34.6 | Very low | 39.7 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 69% | 0.69 | 68% | 0.677 | S | S | * | * | trans | 68.3 | 94 | 152.9 | -55.8 | -11.6 | 0 | 0 | 0 | 118.9 | ||||
| 747 | N | 37 | Very low | 40.8 | Very low | 162 Ų | 162 | 129.6 Ų | 129.6 | 87% | 0.866 | 66% | 0.664 | S | S | * | * | -150.2 | 138.5 | 94.6 | -94.4 | -11.7 | 0 | 0 | 0 | 110.2 | |||||
| 748 | S | 38.5 | Very low | 42.2 | Very low | 96 Ų | 96 | 126.4 Ų | 126.4 | 67% | 0.671 | 65% | 0.651 | S | S | * | * | trans | -144.8 | 94.4 | -177.1 | 56.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 749 | D | 41 | Very low | 43.2 | Very low | 162 Ų | 162 | 122 Ų | 122 | 87% | 0.866 | 63% | 0.632 | S | S | * | * | trans | -91.4 | 97.2 | 166 | -72.1 | -53.2 | 0 | 0 | 0 | 108.1 | D751 | D749-D751 PolarHBondContact O-N 3.24Š| ||
| 750 | D | 41.9 | Very low | 44.9 | Very low | 146 Ų | 146 | 119.4 Ų | 119.4 | 78% | 0.781 | 62% | 0.623 | S | S | * | * | trans | -76.8 | 109 | 174.2 | -87.7 | -48.2 | 0 | 0 | 0 | 110.1 | V752 | D750-V752 PolarHBondContact O-N 3.38Š| ||
| 751 | D | 44.9 | Very low | 46.8 | Very low | 146 Ų | 146 | 116.3 Ų | 116.3 | 78% | 0.781 | 61% | 0.612 | S | S | * | * | trans | -75.4 | 83.1 | -170.6 | -143.6 | -3.1 | 0 | 0 | 0 | 112 | D749 K753 | D749-D751 PolarHBondContact O-N 3.24Å; D751-K753 VanDerWaalsContact C-N 3.3Å; D751-K753 PolarHBondContact O-N 3.19Å | ||
| 752 | V | 46.7 | Very low | 48.9 | Very low | 135 Ų | 135 | 114.1 Ų | 114.1 | 82% | 0.818 | 60% | 0.598 | S | S | * | * | trans | -70.5 | 85.3 | 174.7 | -176.3 | 0 | 0 | 0 | 0 | 109.8 | D750 S754 | D750-V752 PolarHBondContact O-N 3.38Å; V752-S754 PolarHBondContact O-N 3.29Å | ||
| 753 | K | 47.3 | Very low | 51.3 | Low | 119 Ų | 119 | 108.6 Ų | 108.6 | 52% | 0.517 | 58% | 0.58 | S | S | . | * | trans | -47.8 | 122.5 | 174.1 | -66 | -179.4 | -179.2 | 178.4 | 0 | 110.4 | D751 | D751-K753 VanDerWaalsContact C-N 3.3Å; D751-K753 PolarHBondContact O-N 3.19Å | ||
| 754 | S | 55.1 | Low | 53.7 | Low | 54 Ų | 54 | 109.2 Ų | 109.2 | 38% | 0.378 | 58% | 0.578 | S | S | . | * | trans | -65 | 151.3 | -174.1 | 72.4 | 0 | 0 | 0 | 0 | 111.6 | V752 D756 Q757 I758 | V752-S754 PolarHBondContact O-N 3.29Å; S754-D756 PolarHBondContact O-N 3.21Å; S754-D756 VanDerWaalsContact O-N 3.16Å; S754-Q757 WeakPolarHBondContact O-CB 3.26Å; S754-Q757 PolarHBondContact O-N 3.34Å; S754-Q757 PolarHBondContact OG-N 2.87Å; S754-I758 PolarHBondContact O-N 3.38Å | ||
| 755 | V | 54.7 | Low | 56.1 | Low | 91 Ų | 91 | 108.9 Ų | 108.9 | 55% | 0.552 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -57 | -33.8 | 178.7 | -178.3 | 0 | 0 | 0 | 0 | 111 | I758 L759 | V755-I758 PolarHBondContact O-N 3.41Å; V755-L759 VanDerWaalsContact O-CB 3.31Å; V755-L759 WeakPolarHBondContact O-CB 3.49Å; V755-L759 PolarHBondContact O-N 3.11Å |
| 756 | D | 51.3 | Low | 58.8 | Low | 106 Ų | 106 | 103.7 Ų | 103.7 | 57% | 0.567 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.2 | -34.2 | 175.8 | -57.2 | -49.1 | 0 | 0 | 0 | 113.2 | S754 N760 | S754-D756 PolarHBondContact O-N 3.21Å; S754-D756 VanDerWaalsContact O-N 3.16Å; D756-N760 WeakPolarHBondContact O-CB 3.41Å; D756-N760 PolarHBondContact O-N 3.37Å; D756-N760 PolarHBondContact O-ND2 3.28Å |
| 757 | Q | 58.2 | Low | 61.3 | Low | 108 Ų | 108 | 101.5 Ų | 101.5 | 51% | 0.505 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.8 | -41.7 | 173.3 | -77.1 | 179.9 | -12.2 | 0 | 0 | 111.4 | S754 N760 N761 | S754-Q757 WeakPolarHBondContact O-CB 3.26Å; S754-Q757 PolarHBondContact O-N 3.34Å; S754-Q757 PolarHBondContact OG-N 2.87Å; Q757-N760 PolarHBondContact O-N 3.32Å; Q757-N761 PolarHBondContact O-N 3.34Å; Q757-N761 PolarHBondContact O-ND2 3.2Å |
| 758 | I | 59.5 | Low | 63.9 | Low | 80 Ų | 80 | 99.5 Ų | 99.5 | 41% | 0.41 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62 | -47.5 | 176.2 | -59.6 | 172.7 | 0 | 0 | 0 | 109.7 | S754 V755 N760 N761 E762 | S754-I758 PolarHBondContact O-N 3.38Å; V755-I758 PolarHBondContact O-N 3.41Å; I758-N760 PolarHBondContact O-N 3.49Å; I758-N761 PolarHBondContact O-N 2.85Å; I758-N761 VanDerWaalsContact O-N 3.1Å; I758-E762 PolarHBondContact O-N 2.55Å |
| 759 | L | 56.9 | Low | 66.6 | Low | 52 Ų | 52 | 97.5 Ų | 97.5 | 27% | 0.272 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.6 | -43.8 | 177 | 179.8 | 60.3 | 0 | 0 | 0 | 113 | N466 V755 N761 L763 | N466-L759 VanDerWaalsContact CG-CD1 3.49Å; N466-L759 WeakPolarHBondContact ND2-CD1 3.49Å; N466-L759 VanDerWaalsContact OD1-CD1 3.29Å; N466-L759 WeakPolarHBondContact OD1-CD1 3.2Å; V755-L759 VanDerWaalsContact O-CB 3.31Å; V755-L759 WeakPolarHBondContact O-CB 3.49Å; V755-L759 PolarHBondContact O-N 3.11Å; L759-N761 VanDerWaalsContact C-N 3.29Å; L759-N761 PolarHBondContact O-N 2.81Å; L759-L763 PolarHBondContact O-N 3.18Å |
| 760 | N | 68.4 | Low | 69.1 | Low | 85 Ų | 85 | 90 Ų | 90 | 46% | 0.455 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.1 | -27.6 | 176.5 | -85.3 | -84 | 0 | 0 | 0 | 112.8 | D756 Q757 I758 R764 | D756-N760 WeakPolarHBondContact O-CB 3.41Å; D756-N760 PolarHBondContact O-N 3.37Å; D756-N760 PolarHBondContact O-ND2 3.28Å; Q757-N760 PolarHBondContact O-N 3.32Å; I758-N760 PolarHBondContact O-N 3.49Å; N760-R764 WeakPolarHBondContact O-CB 3.28Å; N760-R764 WeakPolarHBondContact O-CD 3.11Å; N760-R764 WeakPolarHBondContact O-CG 3.38Å; N760-R764 PolarHBondContact O-N 3.48Å; N760-R764 VanDerWaalsContact O-N 3.13Å |
| 761 | N | 76.3 | Confident | 71.5 | Confident | 80 Ų | 80 | 91.6 Ų | 91.6 | 43% | 0.428 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -75.4 | -47.8 | 175.1 | -67.1 | -21.7 | 0 | 0 | 0 | 111.3 | Q757 I758 L759 L763 R764 D765 | Q757-N761 PolarHBondContact O-N 3.34Å; Q757-N761 PolarHBondContact O-ND2 3.2Å; I758-N761 PolarHBondContact O-N 2.85Å; I758-N761 VanDerWaalsContact O-N 3.1Å; L759-N761 VanDerWaalsContact C-N 3.29Å; L759-N761 PolarHBondContact O-N 2.81Å; N761-L763 PolarHBondContact O-N 2.85Å; N761-R764 WeakPolarHBondContact O-CA 3.41Å; N761-R764 WeakPolarHBondContact O-CB 3.37Å; N761-R764 PolarHBondContact O-N 2.93Å; N761-D765 VanDerWaalsContact O-CG 3.28Å; N761-D765 PolarHBondContact O-N 3.44Å |
| 762 | E | 77.9 | Confident | 73.9 | Confident | 74 Ų | 74 | 88.8 Ų | 88.8 | 35% | 0.346 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -54.4 | -40.9 | 175.2 | -70.9 | 178.9 | -158.9 | 0 | 0 | 112 | H462 I758 L766 | H462-E762 IonicContact CD2-OE2 3.81Å; I758-E762 PolarHBondContact O-N 2.55Å; E762-L766 WeakPolarHBondContact O-CB 3.27Å; E762-L766 PolarHBondContact O-N 2.87Å; E762-L766 VanDerWaalsContact O-N 3.1Å |
| 763 | L | 81.9 | Confident | 76.1 | Confident | 64 Ų | 64 | 82.6 Ų | 82.6 | 34% | 0.335 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -70.6 | -34 | 176.1 | -177.3 | 58.2 | 0 | 0 | 0 | 113.1 | L759 N761 L766 I767 | L759-L763 PolarHBondContact O-N 3.18Å; N761-L763 PolarHBondContact O-N 2.85Å; L763-L766 HydrophobicContact CD1-CD2 4.22Å; L763-I767 HydrophobicContact CD1-CD1 4.21Å; L763-I767 HydrophobicContact CG-CD1 4.12Å; L763-I767 WeakPolarHBondContact O-CD1 3.42Å; L763-I767 VanDerWaalsContact O-CG1 3.26Å; L763-I767 WeakPolarHBondContact O-CG1 3.34Å; L763-I767 PolarHBondContact O-N 3.41Å; L763-I767 VanDerWaalsContact O-N 3.11Å |
| 764 | R | 84.7 | Confident | 78.3 | Confident | 167 Ų | 167 | 82.9 Ų | 82.9 | 63% | 0.63 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -67.2 | -45.9 | 173.8 | -79.6 | 167.7 | 178.3 | -160.4 | -1.2 | 111.3 | N760 N761 L766 I767 E768 | N760-R764 WeakPolarHBondContact O-CB 3.28Å; N760-R764 WeakPolarHBondContact O-CD 3.11Å; N760-R764 WeakPolarHBondContact O-CG 3.38Å; N760-R764 PolarHBondContact O-N 3.48Å; N760-R764 VanDerWaalsContact O-N 3.13Å; N761-R764 WeakPolarHBondContact O-CA 3.41Å; N761-R764 WeakPolarHBondContact O-CB 3.37Å; N761-R764 PolarHBondContact O-N 2.93Å; R764-L766 VanDerWaalsContact C-N 3.3Å; R764-L766 PolarHBondContact O-N 3.03Å; R764-I767 PolarHBondContact O-N 3.42Å; R764-I767 VanDerWaalsContact O-N 3.11Å; R764-E768 WeakPolarHBondContact O-CB 3.26Å; R764-E768 PolarHBondContact O-N 2.91Å |
| 765 | D | 87.2 | Confident | 80.2 | Confident | 109 Ų | 109 | 84 Ų | 84 | 58% | 0.583 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -60.6 | -41.4 | 178.8 | -63.3 | -18 | 0 | 0 | 0 | 110.8 | N761 E768 Y769 | N761-D765 VanDerWaalsContact O-CG 3.28Å; N761-D765 PolarHBondContact O-N 3.44Å; D765-E768 PolarHBondContact O-N 2.96Å; D765-Y769 WeakPolarHBondContact O-CB 2.86Å; D765-Y769 PolarHBondContact O-N 3.4Å |
| 766 | L | 90.2 | Very high | 82 | Confident | 12 Ų | 12 | 81.9 Ų | 81.9 | 6% | 0.063 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -58.5 | -48.2 | 172.3 | -179.8 | 69.4 | 0 | 0 | 0 | 112.1 | F455 L458 I459 E762 L763 R764 G770 | F455-L766 HydrophobicContact CD2-CD1 3.85Å; F455-L766 HydrophobicContact CE2-CD1 3.66Å; F455-L766 HydrophobicContact CE2-CG 4.09Å; F455-L766 WeakPolarHBondContact CE2-O 3.1Å; L458-L766 HydrophobicContact CB-CD1 3.63Å; I459-L766 HydrophobicContact CG1-CD1 3.95Å; I459-L766 HydrophobicContact CG1-CD2 4.29Å; E762-L766 WeakPolarHBondContact O-CB 3.27Å; E762-L766 PolarHBondContact O-N 2.87Å; E762-L766 VanDerWaalsContact O-N 3.1Å; L763-L766 HydrophobicContact CD1-CD2 4.22Å; R764-L766 VanDerWaalsContact C-N 3.3Å; R764-L766 PolarHBondContact O-N 3.03Å; L766-G770 PolarHBondContact O-N 3.26Å |
| 767 | I | 88.7 | Confident | 83.9 | Confident | 83 Ų | 83 | 76.9 Ų | 76.9 | 43% | 0.426 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.9 | -41.1 | -179.9 | -70.8 | 166.3 | 0 | 0 | 0 | 111.1 | L763 R764 G770 R771 | L763-I767 HydrophobicContact CD1-CD1 4.21Å; L763-I767 HydrophobicContact CG-CD1 4.12Å; L763-I767 WeakPolarHBondContact O-CD1 3.42Å; L763-I767 VanDerWaalsContact O-CG1 3.26Å; L763-I767 WeakPolarHBondContact O-CG1 3.34Å; L763-I767 PolarHBondContact O-N 3.41Å; L763-I767 VanDerWaalsContact O-N 3.11Å; R764-I767 PolarHBondContact O-N 3.42Å; R764-I767 VanDerWaalsContact O-N 3.11Å; I767-G770 PolarHBondContact O-N 3.12Å; I767-R771 WeakPolarHBondContact O-CG 3.27Å; I767-R771 PolarHBondContact O-N 3.4Å |
| 768 | E | 91.8 | Very high | 85.6 | Confident | 120 Ų | 120 | 76 Ų | 76 | 56% | 0.561 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -68 | -44.2 | 178.8 | -175.2 | 166.4 | 157.4 | 0 | 0 | 111.9 | R764 D765 G770 R771 N772 | R764-E768 WeakPolarHBondContact O-CB 3.26Å; R764-E768 PolarHBondContact O-N 2.91Å; D765-E768 PolarHBondContact O-N 2.96Å; E768-G770 VanDerWaalsContact C-N 3.27Å; E768-G770 PolarHBondContact O-N 3.02Å; E768-R771 PolarHBondContact O-N 2.93Å; E768-R771 VanDerWaalsContact O-N 3.13Å; E768-N772 PolarHBondContact O-N 2.91Å; E768-N772 PolarHBondContact O-ND2 3.35Å |
| 769 | Y | 94 | Very high | 87.1 | Confident | 55 Ų | 55 | 75.4 Ų | 75.4 | 22% | 0.216 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -55.6 | -45.2 | 171.1 | -172.3 | -86.2 | 0 | 0 | 0 | 111.1 | K451 H454 F455 L458 D765 R771 N772 L773 | K451-Y769 WeakPolarHBondContact CB-OH 3.35Å; K451-Y769 WeakPolarHBondContact CG-OH 3.39Å; H454-Y769 AromaticContact CD2-CE2 3.87Å; H454-Y769 AromaticContact CD2-CZ 3.64Å; F455-Y769 HydrophobicContact CB-CD1 4.17Å; F455-Y769 HydrophobicContact CB-CE1 4.01Å; F455-Y769 HydrophobicContact CD2-CD1 4Å; F455-Y769 HydrophobicContact CG-CD1 4.43Å; L458-Y769 HydrophobicContact CD1-CD1 4.42Å; L458-Y769 HydrophobicContact CD1-CG 4.42Å; D765-Y769 WeakPolarHBondContact O-CB 2.86Å; D765-Y769 PolarHBondContact O-N 3.4Å; Y769-R771 PolarHBondContact O-N 3.03Å; Y769-N772 PolarHBondContact O-N 2.71Å; Y769-L773 HydrophobicContact CE1-CB 4.46Å; Y769-L773 HydrophobicContact CE1-CD2 4.06Å; Y769-L773 WeakPolarHBondContact O-CB 3.43Å; Y769-L773 PolarHBondContact O-N 3.49Å |
| 770 | G | 93.5 | Very high | 88.8 | Confident | 3 Ų | 3 | 74.2 Ų | 74.2 | 3% | 0.031 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.7 | -45.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L766 I767 E768 L773 R774 F798 | L766-G770 PolarHBondContact O-N 3.26Å; I767-G770 PolarHBondContact O-N 3.12Å; E768-G770 VanDerWaalsContact C-N 3.27Å; E768-G770 PolarHBondContact O-N 3.02Å; G770-L773 PolarHBondContact O-N 3.02Å; G770-R774 PolarHBondContact O-N 3.21Å; G770-F798 WeakPolarHBondContact O-CE1 3.45Å; G770-F798 VanDerWaalsContact O-CZ 3.24Å; G770-F798 WeakPolarHBondContact O-CZ 3.45Å |
| 771 | R | 92.9 | Very high | 89.8 | Confident | 181 Ų | 181 | 74.5 Ų | 74.5 | 68% | 0.683 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63.3 | -44.8 | 177 | -69.9 | 171 | 78 | 172.5 | 4.9 | 111.7 | I767 E768 Y769 L773 R774 S775 | I767-R771 WeakPolarHBondContact O-CG 3.27Å; I767-R771 PolarHBondContact O-N 3.4Å; E768-R771 PolarHBondContact O-N 2.93Å; E768-R771 VanDerWaalsContact O-N 3.13Å; Y769-R771 PolarHBondContact O-N 3.03Å; R771-L773 VanDerWaalsContact C-N 3.33Å; R771-L773 PolarHBondContact O-N 3.2Å; R771-R774 WeakPolarHBondContact O-CB 3.37Å; R771-R774 PolarHBondContact O-N 2.77Å; R771-S775 PolarHBondContact O-N 2.86Å; R771-S775 PolarHBondContact O-OG 2.78Å |
| 772 | N | 94.5 | Very high | 90.4 | Very high | 87 Ų | 87 | 79.7 Ų | 79.7 | 47% | 0.465 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.9 | -36 | 177.7 | -70.9 | -30 | 0 | 0 | 0 | 112.3 | E768 Y769 S776 | E768-N772 PolarHBondContact O-N 2.91Å; E768-N772 PolarHBondContact O-ND2 3.35Å; Y769-N772 PolarHBondContact O-N 2.71Å; N772-S776 PolarHBondContact O-N 2.59Å; N772-S776 PolarHBondContact O-OG 2.9Å |
| 773 | L | 93.8 | Very high | 91 | Very high | 4 Ų | 4 | 81.2 Ų | 81.2 | 2% | 0.021 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -69.4 | -37.1 | 173.4 | -175 | 55.9 | 0 | 0 | 0 | 112.4 | F448 K451 F455 Y769 G770 R771 S776 A777 L794 | F448-L773 HydrophobicContact CD2-CD1 3.86Å; F448-L773 HydrophobicContact CE2-CD1 3.72Å; F448-L773 HydrophobicContact CE2-CG 4.38Å; K451-L773 HydrophobicContact CB-CD1 3.7Å; K451-L773 HydrophobicContact CB-CD2 4.44Å; K451-L773 HydrophobicContact CD-CD1 4.37Å; F455-L773 HydrophobicContact CB-CD2 4.06Å; Y769-L773 HydrophobicContact CE1-CB 4.46Å; Y769-L773 HydrophobicContact CE1-CD2 4.06Å; Y769-L773 WeakPolarHBondContact O-CB 3.43Å; Y769-L773 PolarHBondContact O-N 3.49Å; G770-L773 PolarHBondContact O-N 3.02Å; R771-L773 VanDerWaalsContact C-N 3.33Å; R771-L773 PolarHBondContact O-N 3.2Å; L773-S776 WeakPolarHBondContact O-CB 3.5Å; L773-S776 PolarHBondContact O-N 2.87Å; L773-A777 PolarHBondContact O-N 3.26Å; L773-L794 HydrophobicContact CD2-CD1 3.55Å; L773-L794 HydrophobicContact CG-CD1 3.8Å; L773-L794 HydrophobicContact CG-CD2 4.12Å |
| 774 | R | 93.8 | Very high | 91.3 | Very high | 126 Ų | 126 | 80.4 Ų | 80.4 | 48% | 0.475 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 172.9 | -169.2 | 176.8 | 178.4 | 87.7 | 1.6 | 112.1 | G770 R771 S776 A777 L778 F798 | G770-R774 PolarHBondContact O-N 3.21Å; R771-R774 WeakPolarHBondContact O-CB 3.37Å; R771-R774 PolarHBondContact O-N 2.77Å; R774-S776 VanDerWaalsContact C-N 3.31Å; R774-S776 PolarHBondContact O-N 3.09Å; R774-A777 WeakPolarHBondContact O-CB 3.26Å; R774-A777 PolarHBondContact O-N 3.11Å; R774-L778 WeakPolarHBondContact O-CG 3.41Å; R774-L778 PolarHBondContact O-N 3.42Å; R774-L778 VanDerWaalsContact O-N 3.07Å; R774-F798 HydrophobicContact CB-CE2 4.04Å; R774-F798 HydrophobicContact CB-CZ 3.82Å; R774-F798 HydrophobicContact CG-CE2 4.22Å; R774-F798 HydrophobicContact CG-CZ 4.48Å |
| 775 | S | 94.1 | Very high | 91.4 | Very high | 77 Ų | 77 | 73.5 Ų | 73.5 | 54% | 0.538 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.8 | -41.5 | 174.7 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | R771 A777 L778 E779 | R771-S775 PolarHBondContact O-N 2.86Å; R771-S775 PolarHBondContact O-OG 2.78Å; S775-A777 PolarHBondContact O-N 2.85Å; S775-L778 PolarHBondContact O-N 2.93Å; S775-E779 PolarHBondContact O-N 2.98Å |
| 776 | S | 92 | Very high | 91.5 | Very high | 46 Ų | 46 | 69.2 Ų | 69.2 | 32% | 0.322 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 174.5 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | N772 L773 R774 L780 | N772-S776 PolarHBondContact O-N 2.59Å; N772-S776 PolarHBondContact O-OG 2.9Å; L773-S776 WeakPolarHBondContact O-CB 3.5Å; L773-S776 PolarHBondContact O-N 2.87Å; R774-S776 VanDerWaalsContact C-N 3.31Å; R774-S776 PolarHBondContact O-N 3.09Å; S776-L780 WeakPolarHBondContact O-CG 3.22Å; S776-L780 PolarHBondContact O-N 3.36Å; S776-L780 VanDerWaalsContact O-N 3.1Å |
| 777 | A | 91.9 | Very high | 91.4 | Very high | 2 Ų | 2 | 70.1 Ų | 70.1 | 2% | 0.017 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.8 | -43 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F448 L773 R774 S775 E779 L780 Q781 I786 L794 | F448-A777 HydrophobicContact CE2-CB 3.56Å; F448-A777 HydrophobicContact CZ-CB 3.65Å; L773-A777 PolarHBondContact O-N 3.26Å; R774-A777 WeakPolarHBondContact O-CB 3.26Å; R774-A777 PolarHBondContact O-N 3.11Å; S775-A777 PolarHBondContact O-N 2.85Å; A777-E779 PolarHBondContact O-N 3.22Å; A777-L780 PolarHBondContact O-N 3.45Å; A777-Q781 WeakPolarHBondContact O-CB 3.13Å; A777-Q781 PolarHBondContact O-N 2.87Å; A777-I786 HydrophobicContact CB-CD1 4.47Å; A777-L794 HydrophobicContact CB-CD2 3.53Å |
| 778 | L | 93 | Very high | 91.3 | Very high | 88 Ų | 88 | 72.1 Ų | 72.1 | 46% | 0.461 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.3 | -40.6 | -179.9 | -71.5 | 171.5 | 0 | 0 | 0 | 112.1 | R774 S775 Q781 R782 | R774-L778 WeakPolarHBondContact O-CG 3.41Å; R774-L778 PolarHBondContact O-N 3.42Å; R774-L778 VanDerWaalsContact O-N 3.07Å; S775-L778 PolarHBondContact O-N 2.93Å; L778-Q781 PolarHBondContact O-N 3.41Å; L778-R782 WeakPolarHBondContact O-CB 3.22Å; L778-R782 PolarHBondContact O-N 3.42Å |
| 779 | E | 92.3 | Very high | 91.1 | Very high | 69 Ų | 69 | 69.1 Ų | 69.1 | 32% | 0.322 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -70.4 | -43 | 177.1 | 179.4 | 54.3 | -159.1 | 0 | 0 | 111.9 | S775 A777 Q781 R782 Q783 | S775-E779 PolarHBondContact O-N 2.98Å; A777-E779 PolarHBondContact O-N 3.22Å; E779-Q781 VanDerWaalsContact C-N 3.27Å; E779-Q781 PolarHBondContact O-N 2.68Å; E779-R782 WeakPolarHBondContact O-CB 3.44Å; E779-R782 PolarHBondContact O-N 2.65Å; E779-R782 IonicContact OE1-CZ 2.68Å; E779-R782 IonicContact OE1-NE 3.3Å; E779-R782 IonicContact OE1-NH2 3.72Å; E779-R782 PolarHBondContact OE1-NH2 3.37Å; E779-R782 IonicContact OE2-CZ 3.53Å; E779-R782 IonicContact OE2-NE 3.68Å; E779-R782 PolarHBondContact OE2-NE 2.83Å; E779-R782 IonicContact OE2-NH2 3.4Å; E779-R782 PolarHBondContact OE2-NH2 3.17Å; E779-Q783 VanDerWaalsContact O-CG 3.31Å; E779-Q783 WeakPolarHBondContact O-CG 3.38Å; E779-Q783 PolarHBondContact O-N 3.3Å; E779-Q783 PolarHBondContact OE1-NE2 3.26Å |
| 780 | L | 91.5 | Very high | 91 | Very high | 26 Ų | 26 | 66.6 Ų | 66.6 | 14% | 0.136 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.1 | -30.3 | 174.5 | -69.6 | 174.7 | 0 | 0 | 0 | 112.9 | P444 F448 S776 A777 G784 V785 I786 | P444-L780 HydrophobicContact CB-CD2 3.81Å; F448-L780 HydrophobicContact CB-CD1 3.8Å; F448-L780 HydrophobicContact CD2-CD1 4.08Å; F448-L780 HydrophobicContact CG-CD1 4.04Å; S776-L780 WeakPolarHBondContact O-CG 3.22Å; S776-L780 PolarHBondContact O-N 3.36Å; S776-L780 VanDerWaalsContact O-N 3.1Å; A777-L780 PolarHBondContact O-N 3.45Å; L780-G784 PolarHBondContact O-N 3.17Å; L780-V785 HydrophobicContact CD2-CB 4.17Å; L780-V785 HydrophobicContact CD2-CG1 4.19Å; L780-V785 HydrophobicContact CD2-CG2 4.49Å; L780-V785 PolarHBondContact O-N 2.82Å; L780-I786 HydrophobicContact CB-CD1 4.27Å; L780-I786 HydrophobicContact CB-CG1 4.11Å; L780-I786 HydrophobicContact CB-CG2 3.94Å; L780-I786 HydrophobicContact CD1-CG2 4.1Å |
| 781 | Q | 89.9 | Confident | 90.8 | Very high | 92 Ų | 92 | 70 Ų | 70 | 43% | 0.43 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.5 | -43.1 | 171.9 | -174.6 | 178.3 | 14.5 | 0 | 0 | 111.1 | A777 L778 E779 Q783 G784 I786 W791 | A777-Q781 WeakPolarHBondContact O-CB 3.13Å; A777-Q781 PolarHBondContact O-N 2.87Å; L778-Q781 PolarHBondContact O-N 3.41Å; E779-Q781 VanDerWaalsContact C-N 3.27Å; E779-Q781 PolarHBondContact O-N 2.68Å; Q781-Q783 VanDerWaalsContact C-N 3.25Å; Q781-Q783 PolarHBondContact O-N 2.85Å; Q781-G784 PolarHBondContact O-N 3.09Å; Q781-I786 HydrophobicContact CB-CD1 4.28Å; Q781-I786 HydrophobicContact CB-CG1 4.39Å; Q781-W791 VanDerWaalsContact OE1-CD1 3.3Å |
| 782 | R | 89.9 | Confident | 90.7 | Very high | 188 Ų | 188 | 64.7 Ų | 64.7 | 71% | 0.709 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61.6 | -33.6 | 175.2 | -167.4 | -176.7 | 72 | 88.3 | 2.9 | 112.4 | L778 E779 G784 | L778-R782 WeakPolarHBondContact O-CB 3.22Å; L778-R782 PolarHBondContact O-N 3.42Å; E779-R782 WeakPolarHBondContact O-CB 3.44Å; E779-R782 PolarHBondContact O-N 2.65Å; E779-R782 IonicContact OE1-CZ 2.68Å; E779-R782 IonicContact OE1-NE 3.3Å; E779-R782 IonicContact OE1-NH2 3.72Å; E779-R782 PolarHBondContact OE1-NH2 3.37Å; E779-R782 IonicContact OE2-CZ 3.53Å; E779-R782 IonicContact OE2-NE 3.68Å; E779-R782 PolarHBondContact OE2-NE 2.83Å; E779-R782 IonicContact OE2-NH2 3.4Å; E779-R782 PolarHBondContact OE2-NH2 3.17Å; R782-G784 VanDerWaalsContact C-N 3.29Å |
| 783 | Q | 89.6 | Confident | 90.5 | Very high | 107 Ų | 107 | 60.5 Ų | 60.5 | 50% | 0.5 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -4.6 | 173.6 | -64.2 | 173 | 11.4 | 0 | 0 | 113.7 | E779 Q781 V785 | E779-Q783 VanDerWaalsContact O-CG 3.31Å; E779-Q783 WeakPolarHBondContact O-CG 3.38Å; E779-Q783 PolarHBondContact O-N 3.3Å; E779-Q783 PolarHBondContact OE1-NE2 3.26Å; Q781-Q783 VanDerWaalsContact C-N 3.25Å; Q781-Q783 PolarHBondContact O-N 2.85Å; Q783-V785 HydrophobicContact CB-CG2 3.73Å; Q783-V785 PolarHBondContact O-N 2.94Å |
| 784 | G | 87.6 | Confident | 90.5 | Very high | 46 Ų | 46 | 60.6 Ų | 60.6 | 47% | 0.474 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 22.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | L780 Q781 R782 K875 | L780-G784 PolarHBondContact O-N 3.17Å; Q781-G784 PolarHBondContact O-N 3.09Å; R782-G784 VanDerWaalsContact C-N 3.29Å; G784-K875 PolarHBondContact O-NZ 2.82Å |
| 785 | V | 88.3 | Confident | 90.3 | Very high | 23 Ų | 23 | 56.5 Ų | 56.5 | 14% | 0.139 | 30% | 0.297 | C | S | . | . | trans | -79.1 | -49.5 | -175.2 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | P444 L780 Q783 K875 | P444-V785 HydrophobicContact CB-CG1 4.1Å; P444-V785 HydrophobicContact CG-CG1 4.23Å; L780-V785 HydrophobicContact CD2-CB 4.17Å; L780-V785 HydrophobicContact CD2-CG1 4.19Å; L780-V785 HydrophobicContact CD2-CG2 4.49Å; L780-V785 PolarHBondContact O-N 2.82Å; Q783-V785 HydrophobicContact CB-CG2 3.73Å; Q783-V785 PolarHBondContact O-N 2.94Å; V785-K875 WeakPolarHBondContact O-CE 3.44Å; V785-K875 PolarHBondContact O-NZ 3.32Å | ||
| 786 | I | 88.9 | Confident | 90.2 | Very high | 18 Ų | 18 | 54.8 Ų | 54.8 | 9% | 0.092 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -85.1 | 152.1 | -178.8 | 58.1 | 170.3 | 0 | 0 | 0 | 112.5 | F448 A777 L780 Q781 Q790 W791 | F448-I786 HydrophobicContact CB-CG2 4.21Å; F448-I786 HydrophobicContact CD1-CB 4.38Å; F448-I786 HydrophobicContact CD1-CD1 4.38Å; F448-I786 HydrophobicContact CD1-CG2 3.56Å; F448-I786 HydrophobicContact CE1-CD1 3.91Å; F448-I786 HydrophobicContact CE1-CG2 4.16Å; F448-I786 HydrophobicContact CG-CG2 4Å; F448-I786 HydrophobicContact CZ-CD1 4.19Å; A777-I786 HydrophobicContact CB-CD1 4.47Å; L780-I786 HydrophobicContact CB-CD1 4.27Å; L780-I786 HydrophobicContact CB-CG1 4.11Å; L780-I786 HydrophobicContact CB-CG2 3.94Å; L780-I786 HydrophobicContact CD1-CG2 4.1Å; Q781-I786 HydrophobicContact CB-CD1 4.28Å; Q781-I786 HydrophobicContact CB-CG1 4.39Å; I786-Q790 VanDerWaalsContact CA-OE1 3.22Å; I786-Q790 HydrophobicContact CB-CB 4.3Å; I786-W791 HydrophobicContact CD1-CB 4.43Å |
| 787 | S | 88.1 | Confident | 90.2 | Very high | 32 Ų | 32 | 52.6 Ų | 52.6 | 22% | 0.224 | 27% | 0.267 | C | S | . | . | trans | -81.8 | 164.7 | 175.8 | 93.3 | 0 | 0 | 0 | 0 | 112.6 | E789 Q790 W791 | S787-E789 VanDerWaalsContact C-N 3.26Å; S787-E789 WeakPolarHBondContact CB-OE2 3.32Å; S787-E789 PolarHBondContact O-N 2.76Å; S787-E789 PolarHBondContact OG-N 2.97Å; S787-E789 PolarHBondContact OG-OE2 2.62Å; S787-Q790 PolarHBondContact O-N 3.12Å; S787-Q790 PolarHBondContact OG-N 3.42Å; S787-Q790 VanDerWaalsContact OG-N 3.1Å; S787-W791 PolarHBondContact O-N 3Å | ||
| 788 | L | 87 | Confident | 90.2 | Very high | 125 Ų | 125 | 54.9 Ų | 54.9 | 65% | 0.654 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60.4 | -39.4 | 173.8 | 176.4 | 61.1 | 0 | 0 | 0 | 111.1 | W791 L792 | L788-W791 WeakPolarHBondContact O-CB 3.47Å; L788-W791 PolarHBondContact O-N 3.22Å; L788-L792 HydrophobicContact CG-CD1 4.25Å; L788-L792 WeakPolarHBondContact O-CG 3.42Å; L788-L792 PolarHBondContact O-N 3.43Å |
| 789 | E | 86.6 | Confident | 90.1 | Very high | 56 Ų | 56 | 53 Ų | 53 | 26% | 0.262 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.3 | -43.5 | 178.6 | -45.6 | 99 | 130.1 | 0 | 0 | 110.6 | S787 W791 L792 L793 A870 F871 R873 | S787-E789 VanDerWaalsContact C-N 3.26Å; S787-E789 WeakPolarHBondContact CB-OE2 3.32Å; S787-E789 PolarHBondContact O-N 2.76Å; S787-E789 PolarHBondContact OG-N 2.97Å; S787-E789 PolarHBondContact OG-OE2 2.62Å; E789-W791 VanDerWaalsContact C-N 3.27Å; E789-W791 PolarHBondContact O-N 2.89Å; E789-L792 WeakPolarHBondContact O-CB 3.41Å; E789-L792 PolarHBondContact O-N 2.99Å; E789-L792 VanDerWaalsContact O-N 3.07Å; E789-L793 PolarHBondContact O-N 3.41Å; E789-A870 HydrophobicContact CB-CB 3.96Å; E789-A870 HydrophobicContact CG-CB 3.69Å; E789-F871 VanDerWaalsContact C-CD1 3.49Å; E789-F871 HydrophobicContact CB-CD1 3.79Å; E789-F871 HydrophobicContact CB-CE1 4.26Å; E789-F871 WeakPolarHBondContact O-CD1 3.4Å; E789-F871 WeakPolarHBondContact O-CE1 3.43Å; E789-R873 IonicContact OE1-NH1 3.22Å; E789-R873 PolarHBondContact OE1-NH1 3.37Å |
| 790 | Q | 91 | Very high | 90 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.009 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.6 | -36.7 | 174 | -70.6 | 173.8 | -19.9 | 0 | 0 | 112.5 | S445 F448 V449 I786 S787 F871 R873 | S445-Q790 PolarHBondContact OG-NE2 2.91Å; F448-Q790 HydrophobicContact CD1-CB 4.43Å; F448-Q790 HydrophobicContact CE1-CB 4.3Å; F448-Q790 WeakPolarHBondContact CE1-O 3.4Å; V449-Q790 HydrophobicContact CG2-CB 4.39Å; V449-Q790 HydrophobicContact CG2-CG 3.79Å; I786-Q790 VanDerWaalsContact CA-OE1 3.22Å; I786-Q790 HydrophobicContact CB-CB 4.3Å; S787-Q790 PolarHBondContact O-N 3.12Å; S787-Q790 PolarHBondContact OG-N 3.42Å; S787-Q790 VanDerWaalsContact OG-N 3.1Å; Q790-F871 VanDerWaalsContact CG-O 3.3Å; Q790-F871 WeakPolarHBondContact CG-O 3.28Å; Q790-R873 PolarHBondContact NE2-O 3.4Å |
| 791 | W | 90 | Very high | 89.8 | Confident | 75 Ų | 75 | 51.2 Ų | 51.2 | 28% | 0.284 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 172.9 | -171.9 | 101.6 | 0 | 0 | 0 | 112 | Q781 I786 S787 L788 E789 L794 S795 | Q781-W791 VanDerWaalsContact OE1-CD1 3.3Å; I786-W791 HydrophobicContact CD1-CB 4.43Å; S787-W791 PolarHBondContact O-N 3Å; L788-W791 WeakPolarHBondContact O-CB 3.47Å; L788-W791 PolarHBondContact O-N 3.22Å; E789-W791 VanDerWaalsContact C-N 3.27Å; E789-W791 PolarHBondContact O-N 2.89Å; W791-L794 PolarHBondContact O-N 2.95Å; W791-S795 PolarHBondContact O-N 3Å; W791-S795 VanDerWaalsContact O-N 3.15Å |
| 792 | L | 90.5 | Very high | 89.6 | Confident | 69 Ų | 69 | 51 Ų | 51 | 36% | 0.361 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.1 | -38.4 | 176.3 | -72.9 | 168.3 | 0 | 0 | 0 | 112.5 | L788 E789 L794 S795 D796 F871 | L788-L792 HydrophobicContact CG-CD1 4.25Å; L788-L792 WeakPolarHBondContact O-CG 3.42Å; L788-L792 PolarHBondContact O-N 3.43Å; E789-L792 WeakPolarHBondContact O-CB 3.41Å; E789-L792 PolarHBondContact O-N 2.99Å; E789-L792 VanDerWaalsContact O-N 3.07Å; L792-L794 PolarHBondContact O-N 3.43Å; L792-S795 WeakPolarHBondContact O-CA 3.43Å; L792-S795 WeakPolarHBondContact O-CB 3.45Å; L792-S795 PolarHBondContact O-N 2.71Å; L792-D796 WeakPolarHBondContact O-CB 3.02Å; L792-D796 PolarHBondContact O-N 2.95Å; L792-F871 HydrophobicContact CB-CE1 4.26Å |
| 793 | L | 91.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -52.5 | -41 | 173.1 | 173.4 | 63.1 | 0 | 0 | 0 | 112 | V449 C452 I456 E789 A797 L814 F871 | V449-L793 HydrophobicContact CG1-CD2 4.08Å; C452-L793 HydrophobicContact CB-CD2 3.93Å; C452-L793 HydrophobicContact CB-CG 4.19Å; I456-L793 HydrophobicContact CD1-CD1 3.83Å; E789-L793 PolarHBondContact O-N 3.41Å; L793-A797 VanDerWaalsContact O-CB 3.3Å; L793-A797 WeakPolarHBondContact O-CB 3.39Å; L793-A797 PolarHBondContact O-N 2.88Å; L793-L814 HydrophobicContact CD1-CD2 4.45Å; L793-F871 HydrophobicContact CB-CB 4.39Å; L793-F871 HydrophobicContact CB-CD1 3.91Å; L793-F871 HydrophobicContact CB-CD2 3.97Å; L793-F871 HydrophobicContact CB-CE1 4.06Å; L793-F871 HydrophobicContact CB-CE2 4.09Å; L793-F871 HydrophobicContact CB-CG 3.86Å; L793-F871 HydrophobicContact CB-CZ 4.13Å; L793-F871 HydrophobicContact CD1-CD2 3.72Å; L793-F871 HydrophobicContact CD1-CE2 3.78Å; L793-F871 HydrophobicContact CD1-CG 4.4Å; L793-F871 HydrophobicContact CD2-CB 4.2Å; L793-F871 HydrophobicContact CD2-CD2 4.43Å; L793-F871 HydrophobicContact CD2-CG 4.42Å; L793-F871 HydrophobicContact CG-CD2 4.23Å; L793-F871 HydrophobicContact CG-CE2 4.49Å; L793-F871 HydrophobicContact CG-CG 4.44Å |
| 794 | L | 92.9 | Very high | 89.1 | Confident | 6 Ų | 6 | 50.8 Ų | 50.8 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -72.5 | -38.6 | 177.1 | -179.2 | 60.1 | 0 | 0 | 0 | 112.2 | F448 F455 L773 A777 W791 L792 A797 F798 | F448-L794 HydrophobicContact CE2-CD2 3.97Å; F448-L794 HydrophobicContact CZ-CB 4.09Å; F448-L794 HydrophobicContact CZ-CD2 3.79Å; F455-L794 HydrophobicContact CD1-CD1 4.48Å; L773-L794 HydrophobicContact CD2-CD1 3.55Å; L773-L794 HydrophobicContact CG-CD1 3.8Å; L773-L794 HydrophobicContact CG-CD2 4.12Å; A777-L794 HydrophobicContact CB-CD2 3.53Å; W791-L794 PolarHBondContact O-N 2.95Å; L792-L794 PolarHBondContact O-N 3.43Å; L794-A797 PolarHBondContact O-N 3.07Å; L794-F798 HydrophobicContact CD1-CD2 4.23Å; L794-F798 HydrophobicContact CD1-CE1 4.27Å; L794-F798 HydrophobicContact CD1-CE2 3.63Å; L794-F798 HydrophobicContact CD1-CZ 3.61Å; L794-F798 HydrophobicContact CD2-CE2 3.85Å; L794-F798 HydrophobicContact CD2-CZ 4.21Å; L794-F798 HydrophobicContact CG-CD2 4.02Å; L794-F798 HydrophobicContact CG-CE2 3.44Å; L794-F798 VanDerWaalsContact CG-CE2 3.44Å; L794-F798 HydrophobicContact CG-CZ 3.93Å; L794-F798 WeakPolarHBondContact O-CD2 3.46Å; L794-F798 PolarHBondContact O-N 2.91Å |
| 795 | S | 90.8 | Very high | 89.1 | Confident | 39 Ų | 39 | 50.2 Ų | 50.2 | 27% | 0.273 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 174.8 | -168 | 0 | 0 | 0 | 0 | 112 | W791 L792 F798 S799 | W791-S795 PolarHBondContact O-N 3Å; W791-S795 VanDerWaalsContact O-N 3.15Å; L792-S795 WeakPolarHBondContact O-CA 3.43Å; L792-S795 WeakPolarHBondContact O-CB 3.45Å; L792-S795 PolarHBondContact O-N 2.71Å; S795-F798 PolarHBondContact O-N 2.77Å; S795-S799 WeakPolarHBondContact O-CB 3.49Å; S795-S799 PolarHBondContact O-N 3.45Å; S795-S799 PolarHBondContact O-OG 2.92Å |
| 796 | D | 91.5 | Very high | 89.2 | Confident | 41 Ų | 41 | 49.6 Ų | 49.6 | 22% | 0.219 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.8 | -40.7 | 175.5 | -69.5 | -10.7 | 0 | 0 | 0 | 111 | L792 S799 L800 L811 L814 | L792-D796 WeakPolarHBondContact O-CB 3.02Å; L792-D796 PolarHBondContact O-N 2.95Å; D796-S799 WeakPolarHBondContact O-CA 3.2Å; D796-S799 WeakPolarHBondContact O-CB 3.47Å; D796-S799 PolarHBondContact O-N 3.06Å; D796-S799 VanDerWaalsContact O-N 3.09Å; D796-L800 PolarHBondContact O-N 3.23Å; D796-L811 HydrophobicContact CB-CD1 3.87Å; D796-L811 HydrophobicContact CB-CD2 4.19Å; D796-L814 HydrophobicContact CB-CD1 3.62Å |
| 797 | A | 91.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F455 I456 I459 L793 L794 S799 L800 | F455-A797 HydrophobicContact CD1-CB 3.89Å; F455-A797 HydrophobicContact CE1-CB 4.23Å; I456-A797 HydrophobicContact CD1-CB 4.08Å; I456-A797 HydrophobicContact CG1-CB 3.64Å; I459-A797 WeakPolarHBondContact CD1-O 3.41Å; L793-A797 VanDerWaalsContact O-CB 3.3Å; L793-A797 WeakPolarHBondContact O-CB 3.39Å; L793-A797 PolarHBondContact O-N 2.88Å; L794-A797 PolarHBondContact O-N 3.07Å; A797-S799 VanDerWaalsContact C-N 3.28Å; A797-S799 PolarHBondContact O-N 3.09Å; A797-L800 WeakPolarHBondContact O-CB 3.42Å; A797-L800 PolarHBondContact O-N 2.76Å |
| 798 | F | 91.5 | Very high | 89.4 | Confident | 50 Ų | 50 | 59.9 Ų | 59.9 | 22% | 0.219 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.8 | -37.1 | 171 | -71.1 | -48.7 | 0 | 0 | 0 | 112.1 | F455 G770 R774 L794 S795 L800 V801 | F455-F798 HydrophobicContact CD1-CE1 4.46Å; F455-F798 AromaticContact CE1-CD1 3.46Å; F455-F798 HydrophobicContact CE1-CD1 3.46Å; F455-F798 VanDerWaalsContact CE1-CD1 3.46Å; F455-F798 AromaticContact CE1-CE1 3.62Å; F455-F798 HydrophobicContact CE1-CE1 3.62Å; F455-F798 HydrophobicContact CE1-CG 4.34Å; F455-F798 AromaticContact CZ-CD1 3.71Å; F455-F798 HydrophobicContact CZ-CD1 3.71Å; F455-F798 AromaticContact CZ-CE1 3.8Å; F455-F798 HydrophobicContact CZ-CE1 3.8Å; G770-F798 WeakPolarHBondContact O-CE1 3.45Å; G770-F798 VanDerWaalsContact O-CZ 3.24Å; G770-F798 WeakPolarHBondContact O-CZ 3.45Å; R774-F798 HydrophobicContact CB-CE2 4.04Å; R774-F798 HydrophobicContact CB-CZ 3.82Å; R774-F798 HydrophobicContact CG-CE2 4.22Å; R774-F798 HydrophobicContact CG-CZ 4.48Å; L794-F798 HydrophobicContact CD1-CD2 4.23Å; L794-F798 HydrophobicContact CD1-CE1 4.27Å; L794-F798 HydrophobicContact CD1-CE2 3.63Å; L794-F798 HydrophobicContact CD1-CZ 3.61Å; L794-F798 HydrophobicContact CD2-CE2 3.85Å; L794-F798 HydrophobicContact CD2-CZ 4.21Å; L794-F798 HydrophobicContact CG-CD2 4.02Å; L794-F798 HydrophobicContact CG-CE2 3.44Å; L794-F798 VanDerWaalsContact CG-CE2 3.44Å; L794-F798 HydrophobicContact CG-CZ 3.93Å; L794-F798 WeakPolarHBondContact O-CD2 3.46Å; L794-F798 PolarHBondContact O-N 2.91Å; S795-F798 PolarHBondContact O-N 2.77Å; F798-L800 PolarHBondContact O-N 3.06Å; F798-V801 WeakPolarHBondContact O-CB 3.44Å; F798-V801 PolarHBondContact O-N 3.15Å |
| 799 | S | 90.6 | Very high | 89.5 | Confident | 48 Ų | 48 | 54 Ų | 54 | 34% | 0.336 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.9 | -19.2 | -179.8 | -58.6 | 0 | 0 | 0 | 0 | 113.2 | S795 D796 A797 Y803 | S795-S799 WeakPolarHBondContact O-CB 3.49Å; S795-S799 PolarHBondContact O-N 3.45Å; S795-S799 PolarHBondContact O-OG 2.92Å; D796-S799 WeakPolarHBondContact O-CA 3.2Å; D796-S799 WeakPolarHBondContact O-CB 3.47Å; D796-S799 PolarHBondContact O-N 3.06Å; D796-S799 VanDerWaalsContact O-N 3.09Å; A797-S799 VanDerWaalsContact C-N 3.28Å; A797-S799 PolarHBondContact O-N 3.09Å; S799-Y803 VanDerWaalsContact O-CD2 3.24Å; S799-Y803 WeakPolarHBondContact O-CD2 3.3Å; S799-Y803 WeakPolarHBondContact O-CE2 3.42Å |
| 800 | L | 90.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.3 | -33.9 | 170.2 | -66.1 | 171.2 | 0 | 0 | 0 | 112.9 | I459 D796 A797 F798 A802 Y803 P806 L811 L814 L815 | I459-L800 HydrophobicContact CD1-CB 4.2Å; I459-L800 HydrophobicContact CG2-CB 4.35Å; D796-L800 PolarHBondContact O-N 3.23Å; A797-L800 WeakPolarHBondContact O-CB 3.42Å; A797-L800 PolarHBondContact O-N 2.76Å; F798-L800 PolarHBondContact O-N 3.06Å; L800-A802 PolarHBondContact O-N 3.27Å; L800-Y803 PolarHBondContact O-N 2.94Å; L800-P806 HydrophobicContact CB-CB 4.48Å; L800-L811 HydrophobicContact CD2-CB 3.81Å; L800-L811 HydrophobicContact CG-CB 4.48Å; L800-L814 HydrophobicContact CD1-CB 4.4Å; L800-L815 HydrophobicContact CD1-CD2 4.06Å; L800-L815 HydrophobicContact CD1-CG 4.24Å; L800-L815 HydrophobicContact CD2-CD1 4.49Å |
| 801 | V | 87.3 | Confident | 89.6 | Confident | 59 Ų | 59 | 58.7 Ų | 58.7 | 36% | 0.358 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69.4 | -24.4 | -177.9 | -172.1 | 0 | 0 | 0 | 0 | 111.8 | F455 I459 F798 Y803 | F455-V801 HydrophobicContact CE1-CG2 4.41Å; F455-V801 HydrophobicContact CZ-CG2 3.87Å; I459-V801 HydrophobicContact CD1-CG2 3.53Å; I459-V801 HydrophobicContact CG1-CG2 3.95Å; F798-V801 WeakPolarHBondContact O-CB 3.44Å; F798-V801 PolarHBondContact O-N 3.15Å; V801-Y803 PolarHBondContact O-N 3.05Å |
| 802 | A | 86.1 | Confident | 89.5 | Confident | 87 Ų | 87 | 57 Ų | 57 | 72% | 0.719 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -7.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114.3 | L800 | L800-A802 PolarHBondContact O-N 3.27Š|
| 803 | Y | 86.8 | Confident | 89.2 | Confident | 102 Ų | 102 | 55.5 Ų | 55.5 | 40% | 0.4 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -108.2 | 124.2 | -179.6 | -70.9 | -102.4 | 0 | 0 | 0 | 111.2 | S799 L800 V801 N805 P806 S809 P810 | S799-Y803 VanDerWaalsContact O-CD2 3.24Å; S799-Y803 WeakPolarHBondContact O-CD2 3.3Å; S799-Y803 WeakPolarHBondContact O-CE2 3.42Å; L800-Y803 PolarHBondContact O-N 2.94Å; V801-Y803 PolarHBondContact O-N 3.05Å; Y803-N805 CarbonylContact O-C 3.44Å; Y803-N805 PolarHBondContact O-N 3.5Å; Y803-P806 WeakPolarHBondContact O-CD 3.21Å; Y803-S809 WeakPolarHBondContact CE2-OG 3.48Å; Y803-P810 WeakPolarHBondContact OH-CD 3.42Å |
| 804 | Q | 82.9 | Confident | 89.1 | Confident | 189 Ų | 189 | 56 Ų | 56 | 88% | 0.883 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -52.6 | -25.7 | 174 | -168.4 | 64.6 | 25.9 | 0 | 0 | 113.4 | Y463 | Y463-Q804 WeakPolarHBondContact CE2-O 3.48Š|
| 805 | N | 87.5 | Confident | 89 | Confident | 34 Ų | 34 | 55.9 Ų | 55.9 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -130.4 | 106.6 | 164.5 | 177.5 | -22.5 | 0 | 0 | 0 | 108.5 | Y463 Y803 Y807 K808 | Y463-N805 HydrophobicContact CE2-CB 3.91Å; Y463-N805 VanDerWaalsContact CZ-CG 3.44Å; Y463-N805 PolarHBondContact OH-ND2 3.31Å; Y803-N805 CarbonylContact O-C 3.44Å; Y803-N805 PolarHBondContact O-N 3.5Å; N805-Y807 PolarHBondContact O-N 2.79Å; N805-Y807 WeakPolarHBondContact OD1-CA 3.24Å; N805-Y807 VanDerWaalsContact OD1-CB 3.27Å; N805-Y807 WeakPolarHBondContact OD1-CB 3.4Å; N805-Y807 PolarHBondContact OD1-N 3.04Å; N805-K808 HydrophobicContact CB-CB 4.39Å; N805-K808 HydrophobicContact CB-CD 4.23Å; N805-K808 HydrophobicContact CB-CG 4.17Å; N805-K808 WeakPolarHBondContact O-CB 3.48Å; N805-K808 PolarHBondContact O-N 3.28Å; N805-K808 PolarHBondContact OD1-N 2.84Å |
| 806 | P | 89.9 | Confident | 88.9 | Confident | 9 Ų | 9 | 59.1 Ų | 59.1 | 6% | 0.058 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -57.9 | -26.9 | 178.9 | -29.6 | 38 | 0 | 0 | 0 | 114.6 | I459 L800 Y803 K808 S809 S812 L815 | I459-P806 HydrophobicContact CG2-CB 4.09Å; I459-P806 HydrophobicContact CG2-CG 3.79Å; L800-P806 HydrophobicContact CB-CB 4.48Å; Y803-P806 WeakPolarHBondContact O-CD 3.21Å; P806-K808 PolarHBondContact O-N 2.81Å; P806-S809 WeakPolarHBondContact O-CB 3.44Å; P806-S809 PolarHBondContact O-N 2.86Å; P806-S809 VanDerWaalsContact O-N 3.15Å; P806-S812 WeakPolarHBondContact O-CB 3.35Å; P806-L815 HydrophobicContact CB-CD1 3.7Å |
| 807 | Y | 90.2 | Very high | 88.7 | Confident | 99 Ų | 99 | 60.8 Ų | 60.8 | 39% | 0.388 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -73.9 | -12.3 | 174.8 | -63.3 | -92.6 | 0 | 0 | 0 | 113.7 | R460 Y463 N805 S812 L815 | R460-Y807 WeakPolarHBondContact CD-OH 3.34Å; R460-Y807 HydrophobicContact CG-CE2 4.48Å; R460-Y807 WeakPolarHBondContact CG-OH 3.12Å; Y463-Y807 AromaticContact CD1-CD2 3.7Å; Y463-Y807 HydrophobicContact CD1-CD2 3.7Å; Y463-Y807 AromaticContact CD1-CE2 3.7Å; Y463-Y807 HydrophobicContact CD1-CE2 3.7Å; Y463-Y807 HydrophobicContact CE1-CD2 4.1Å; Y463-Y807 HydrophobicContact CE1-CE2 4.45Å; Y463-Y807 HydrophobicContact CG-CD2 4.44Å; Y463-Y807 HydrophobicContact CG-CE2 4.41Å; N805-Y807 PolarHBondContact O-N 2.79Å; N805-Y807 WeakPolarHBondContact OD1-CA 3.24Å; N805-Y807 VanDerWaalsContact OD1-CB 3.27Å; N805-Y807 WeakPolarHBondContact OD1-CB 3.4Å; N805-Y807 PolarHBondContact OD1-N 3.04Å; Y807-S812 VanDerWaalsContact O-CB 3.3Å; Y807-S812 WeakPolarHBondContact O-CB 3.35Å; Y807-L815 HydrophobicContact CD1-CD1 4.02Å; Y807-L815 HydrophobicContact CD2-CD1 4.23Å; Y807-L815 HydrophobicContact CE1-CB 4.19Å; Y807-L815 HydrophobicContact CE1-CD1 4.19Å; Y807-L815 HydrophobicContact CE2-CD1 4.37Å; Y807-L815 HydrophobicContact CG-CD1 4.07Å |
| 808 | K | 90.1 | Very high | 88.5 | Confident | 167 Ų | 167 | 65.1 Ų | 65.1 | 73% | 0.726 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -91.9 | -3.1 | 168.8 | -66.6 | -175.4 | 179.2 | -179.9 | 0 | 113.1 | N805 P806 | N805-K808 HydrophobicContact CB-CB 4.39Å; N805-K808 HydrophobicContact CB-CD 4.23Å; N805-K808 HydrophobicContact CB-CG 4.17Å; N805-K808 WeakPolarHBondContact O-CB 3.48Å; N805-K808 PolarHBondContact O-N 3.28Å; N805-K808 PolarHBondContact OD1-N 2.84Å; P806-K808 PolarHBondContact O-N 2.81Å |
| 809 | S | 90.7 | Very high | 88.4 | Confident | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -68 | 147.2 | 173.5 | -174.4 | 0 | 0 | 0 | 0 | 111 | Y803 P806 L811 S812 | Y803-S809 WeakPolarHBondContact CE2-OG 3.48Å; P806-S809 WeakPolarHBondContact O-CB 3.44Å; P806-S809 PolarHBondContact O-N 2.86Å; P806-S809 VanDerWaalsContact O-N 3.15Å; S809-L811 PolarHBondContact O-N 3.04Å; S809-L811 VanDerWaalsContact O-N 3.15Å; S809-L811 PolarHBondContact OG-N 2.84Å; S809-S812 WeakPolarHBondContact O-CB 3.36Å; S809-S812 PolarHBondContact O-N 2.99Å; S809-S812 PolarHBondContact O-OG 2.9Å |
| 810 | P | 90.3 | Very high | 88.5 | Confident | 106 Ų | 106 | 62.8 Ų | 62.8 | 69% | 0.688 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -26.7 | 164.8 | -25.2 | 35.3 | 0 | 0 | 0 | 113.1 | Y803 | Y803-P810 WeakPolarHBondContact OH-CD 3.42Š|
| 811 | L | 87.9 | Confident | 88.3 | Confident | 49 Ų | 49 | 66.5 Ų | 66.5 | 26% | 0.257 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 3.5 | 178.5 | -64.1 | 168.2 | 0 | 0 | 0 | 113.5 | D796 L800 S809 G813 L814 | D796-L811 HydrophobicContact CB-CD1 3.87Å; D796-L811 HydrophobicContact CB-CD2 4.19Å; L800-L811 HydrophobicContact CD2-CB 3.81Å; L800-L811 HydrophobicContact CG-CB 4.48Å; S809-L811 PolarHBondContact O-N 3.04Å; S809-L811 VanDerWaalsContact O-N 3.15Å; S809-L811 PolarHBondContact OG-N 2.84Å; L811-G813 PolarHBondContact O-N 2.95Å; L811-L814 HydrophobicContact CB-CD1 4.42Å; L811-L814 WeakPolarHBondContact O-CB 3.25Å; L811-L814 PolarHBondContact O-N 2.84Å |
| 812 | S | 88 | Confident | 88.4 | Confident | 41 Ų | 41 | 64.8 Ų | 64.8 | 29% | 0.287 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -49.4 | -26.6 | 178.9 | 52.4 | 0 | 0 | 0 | 0 | 114.3 | P806 Y807 S809 L814 L815 | P806-S812 WeakPolarHBondContact O-CB 3.35Å; Y807-S812 VanDerWaalsContact O-CB 3.3Å; Y807-S812 WeakPolarHBondContact O-CB 3.35Å; S809-S812 WeakPolarHBondContact O-CB 3.36Å; S809-S812 PolarHBondContact O-N 2.99Å; S809-S812 PolarHBondContact O-OG 2.9Å; S812-L814 PolarHBondContact O-N 3.48Å; S812-L815 WeakPolarHBondContact O-CB 3.42Å; S812-L815 PolarHBondContact O-N 2.85Å; S812-L815 VanDerWaalsContact O-N 3.15Å |
| 813 | G | 85.9 | Confident | 88.8 | Confident | 37 Ų | 37 | 60.6 Ų | 60.6 | 38% | 0.381 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -49.7 | -40.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L811 L815 H816 Y819 | L811-G813 PolarHBondContact O-N 2.95Å; G813-L815 PolarHBondContact O-N 2.87Å; G813-H816 WeakPolarHBondContact O-CB 3.32Å; G813-H816 PolarHBondContact O-N 2.89Å; G813-Y819 VanDerWaalsContact O-CE2 3.24Å; G813-Y819 WeakPolarHBondContact O-CE2 2.99Å |
| 814 | L | 88.3 | Confident | 89 | Confident | 11 Ų | 11 | 55.8 Ų | 55.8 | 6% | 0.058 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -61.1 | -25.2 | -178.2 | -67.4 | 177 | 0 | 0 | 0 | 113.8 | L793 D796 L800 L811 S812 H816 F871 | L793-L814 HydrophobicContact CD1-CD2 4.45Å; D796-L814 HydrophobicContact CB-CD1 3.62Å; L800-L814 HydrophobicContact CD1-CB 4.4Å; L811-L814 HydrophobicContact CB-CD1 4.42Å; L811-L814 WeakPolarHBondContact O-CB 3.25Å; L811-L814 PolarHBondContact O-N 2.84Å; S812-L814 PolarHBondContact O-N 3.48Å; L814-H816 PolarHBondContact O-N 2.84Å; L814-F871 HydrophobicContact CD2-CE2 4.23Å |
| 815 | L | 90.7 | Very high | 89.2 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -72.9 | -11.3 | 176.9 | -60.1 | 163.1 | 0 | 0 | 0 | 112.8 | I456 I459 R460 L800 P806 Y807 S812 G813 | I456-L815 HydrophobicContact CG2-CD2 4.17Å; I459-L815 HydrophobicContact CG2-CD2 4.42Å; R460-L815 HydrophobicContact CB-CD2 3.91Å; R460-L815 WeakPolarHBondContact CD-O 3.2Å; R460-L815 HydrophobicContact CG-CB 4.44Å; R460-L815 HydrophobicContact CG-CD2 4.17Å; L800-L815 HydrophobicContact CD1-CD2 4.06Å; L800-L815 HydrophobicContact CD1-CG 4.24Å; L800-L815 HydrophobicContact CD2-CD1 4.49Å; P806-L815 HydrophobicContact CB-CD1 3.7Å; Y807-L815 HydrophobicContact CD1-CD1 4.02Å; Y807-L815 HydrophobicContact CD2-CD1 4.23Å; Y807-L815 HydrophobicContact CE1-CB 4.19Å; Y807-L815 HydrophobicContact CE1-CD1 4.19Å; Y807-L815 HydrophobicContact CE2-CD1 4.37Å; Y807-L815 HydrophobicContact CG-CD1 4.07Å; S812-L815 WeakPolarHBondContact O-CB 3.42Å; S812-L815 PolarHBondContact O-N 2.85Å; S812-L815 VanDerWaalsContact O-N 3.15Å; G813-L815 PolarHBondContact O-N 2.87Å |
| 816 | H | 88.9 | Confident | 89.3 | Confident | 108 Ų | 108 | 47.5 Ų | 47.5 | 50% | 0.5 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -72.1 | 126.5 | -173.6 | -170.1 | -81.6 | 0 | 0 | 0 | 112.1 | G813 L814 K818 Y819 | G813-H816 WeakPolarHBondContact O-CB 3.32Å; G813-H816 PolarHBondContact O-N 2.89Å; L814-H816 PolarHBondContact O-N 2.84Å; H816-K818 HydrophobicContact CB-CG 4.38Å; H816-K818 VanDerWaalsContact ND1-CB 3.34Å; H816-K818 WeakPolarHBondContact ND1-CB 3.27Å; H816-K818 WeakPolarHBondContact ND1-CD 3.47Å; H816-K818 VanDerWaalsContact ND1-CG 3.26Å; H816-K818 WeakPolarHBondContact ND1-CG 3.13Å; H816-K818 PolarHBondContact ND1-N 2.83Å; H816-K818 PolarHBondContact O-N 3.01Å; H816-Y819 WeakPolarHBondContact O-CD2 3.38Å; H816-Y819 PolarHBondContact O-N 2.88Å |
| 817 | P | 87 | Confident | 89.5 | Confident | 75 Ų | 75 | 47.1 Ų | 47.1 | 49% | 0.487 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -23.1 | -173.7 | -30.7 | 36.5 | 0 | 0 | 0 | 116.8 | Y819 R820 | P817-Y819 PolarHBondContact O-N 3.25Å; P817-R820 VanDerWaalsContact O-CB 3.27Å; P817-R820 WeakPolarHBondContact O-CB 3.24Å; P817-R820 WeakPolarHBondContact O-CG 3.2Å; P817-R820 PolarHBondContact O-N 2.73Å |
| 818 | K | 87.3 | Confident | 89.5 | Confident | 91 Ų | 91 | 42.7 Ų | 42.7 | 40% | 0.396 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -46.9 | -33.4 | 173.7 | 76.6 | -173.3 | -179.1 | 178.5 | 0 | 114.1 | H816 R820 E821 L822 | H816-K818 HydrophobicContact CB-CG 4.38Å; H816-K818 VanDerWaalsContact ND1-CB 3.34Å; H816-K818 WeakPolarHBondContact ND1-CB 3.27Å; H816-K818 WeakPolarHBondContact ND1-CD 3.47Å; H816-K818 VanDerWaalsContact ND1-CG 3.26Å; H816-K818 WeakPolarHBondContact ND1-CG 3.13Å; H816-K818 PolarHBondContact ND1-N 2.83Å; H816-K818 PolarHBondContact O-N 3.01Å; K818-R820 PolarHBondContact O-N 2.79Å; K818-E821 WeakPolarHBondContact O-CB 3.27Å; K818-E821 PolarHBondContact O-N 2.79Å; K818-E821 VanDerWaalsContact O-N 3.16Å; K818-L822 PolarHBondContact O-N 3.26Å |
| 819 | Y | 89.5 | Confident | 89.4 | Confident | 11 Ų | 11 | 37.4 Ų | 37.4 | 4% | 0.043 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.3 | -21.9 | -178.6 | -70.9 | -69.4 | 0 | 0 | 0 | 113 | G813 H816 P817 L822 L823 S868 Y872 | G813-Y819 VanDerWaalsContact O-CE2 3.24Å; G813-Y819 WeakPolarHBondContact O-CE2 2.99Å; H816-Y819 WeakPolarHBondContact O-CD2 3.38Å; H816-Y819 PolarHBondContact O-N 2.88Å; P817-Y819 PolarHBondContact O-N 3.25Å; Y819-L822 HydrophobicContact CD1-CD1 3.88Å; Y819-L822 HydrophobicContact CE1-CD1 4.13Å; Y819-L823 VanDerWaalsContact O-CB 3.27Å; Y819-L823 WeakPolarHBondContact O-CB 3.3Å; Y819-L823 PolarHBondContact O-N 2.6Å; Y819-S868 VanDerWaalsContact OH-CB 3.31Å; Y819-S868 WeakPolarHBondContact OH-CB 3.45Å; Y819-S868 PolarHBondContact OH-OG 2.93Å; Y819-Y872 HydrophobicContact CD1-CE2 4.23Å; Y819-Y872 WeakPolarHBondContact CD1-OH 3.36Å |
| 820 | R | 92.5 | Very high | 89.4 | Confident | 38 Ų | 38 | 38 Ų | 38 | 14% | 0.143 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.2 | -39.2 | 171.2 | -57 | -172.9 | 172 | -177.1 | -17.8 | 112.6 | R421 N422 Y425 D457 P817 K818 A824 | R421-R820 WeakPolarHBondContact O-CD 3.3Å; R421-R820 PolarHBondContact O-NH1 2.82Å; N422-R820 PolarHBondContact O-NH1 2.82Å; N422-R820 PolarHBondContact O-NH2 2.84Å; Y425-R820 WeakPolarHBondContact OH-CG 3.41Å; D457-R820 IonicContact OD1-NE 2.64Å; D457-R820 IonicContact OD1-NH2 3.35Å; D457-R820 IonicContact OD2-CZ 3.6Å; D457-R820 IonicContact OD2-NE 3.9Å; D457-R820 PolarHBondContact OD2-NE 3.16Å; D457-R820 IonicContact OD2-NH2 3.11Å; D457-R820 PolarHBondContact OD2-NH2 2.85Å; P817-R820 VanDerWaalsContact O-CB 3.27Å; P817-R820 WeakPolarHBondContact O-CB 3.24Å; P817-R820 WeakPolarHBondContact O-CG 3.2Å; P817-R820 PolarHBondContact O-N 2.73Å; K818-R820 PolarHBondContact O-N 2.79Å; R820-A824 WeakPolarHBondContact O-CB 3.4Å; R820-A824 PolarHBondContact O-N 3.11Å |
| 821 | E | 87.6 | Confident | 89.4 | Confident | 79 Ų | 79 | 33 Ų | 33 | 37% | 0.369 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.5 | -50.1 | 175.2 | -170.4 | -165.9 | 131 | 0 | 0 | 110.2 | K818 L823 A824 D825 R973 | K818-E821 WeakPolarHBondContact O-CB 3.27Å; K818-E821 PolarHBondContact O-N 2.79Å; K818-E821 VanDerWaalsContact O-N 3.16Å; E821-L823 VanDerWaalsContact C-N 3.34Å; E821-L823 PolarHBondContact O-N 3.18Å; E821-A824 PolarHBondContact O-N 3.05Å; E821-D825 PolarHBondContact O-N 3.04Å; E821-R973 IonicContact OE1-CZ 3.45Å; E821-R973 VanDerWaalsContact OE1-CZ 3.23Å; E821-R973 IonicContact OE1-NH1 3.78Å; E821-R973 PolarHBondContact OE1-NH1 2.88Å; E821-R973 IonicContact OE1-NH2 3.48Å; E821-R973 PolarHBondContact OE1-NH2 3Å |
| 822 | L | 88.9 | Confident | 89.4 | Confident | 22 Ų | 22 | 30.7 Ų | 30.7 | 12% | 0.115 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.5 | -41.5 | 179.1 | -63.6 | 172.7 | 0 | 0 | 0 | 112.6 | K818 Y819 A826 F869 Y872 | K818-L822 PolarHBondContact O-N 3.26Å; Y819-L822 HydrophobicContact CD1-CD1 3.88Å; Y819-L822 HydrophobicContact CE1-CD1 4.13Å; L822-A826 WeakPolarHBondContact O-CB 3.3Å; L822-A826 PolarHBondContact O-N 2.8Å; L822-F869 HydrophobicContact CD1-CD1 4.03Å; L822-F869 HydrophobicContact CD1-CE1 3.51Å; L822-F869 HydrophobicContact CD1-CZ 4.11Å; L822-F869 HydrophobicContact CD2-CD1 4.32Å; L822-F869 HydrophobicContact CD2-CE1 3.78Å; L822-F869 HydrophobicContact CG-CE1 4.3Å; L822-Y872 HydrophobicContact CB-CD2 4.41Å; L822-Y872 HydrophobicContact CB-CE2 4.01Å |
| 823 | L | 93 | Very high | 89.3 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.9 | -43.4 | 175.4 | 179.9 | 59.5 | 0 | 0 | 0 | 112.2 | I420 Y425 V449 L450 H453 Y819 E821 D825 A826 V827 Y872 F874 | I420-L823 HydrophobicContact CG2-CB 4.29Å; I420-L823 HydrophobicContact CG2-CD2 4.19Å; I420-L823 HydrophobicContact CG2-CG 4.07Å; Y425-L823 HydrophobicContact CD1-CD2 4.41Å; Y425-L823 HydrophobicContact CE1-CD2 4.07Å; V449-L823 HydrophobicContact CG1-CD1 3.66Å; L450-L823 HydrophobicContact CD2-CD2 3.94Å; L450-L823 HydrophobicContact CD2-CG 4.39Å; H453-L823 HydrophobicContact CB-CD2 3.78Å; Y819-L823 VanDerWaalsContact O-CB 3.27Å; Y819-L823 WeakPolarHBondContact O-CB 3.3Å; Y819-L823 PolarHBondContact O-N 2.6Å; E821-L823 VanDerWaalsContact C-N 3.34Å; E821-L823 PolarHBondContact O-N 3.18Å; L823-D825 VanDerWaalsContact C-N 3.28Å; L823-D825 PolarHBondContact O-N 3Å; L823-A826 PolarHBondContact O-N 3.45Å; L823-V827 HydrophobicContact CD1-CG2 3.86Å; L823-V827 HydrophobicContact CG-CG2 4.3Å; L823-V827 WeakPolarHBondContact O-CB 3.5Å; L823-V827 VanDerWaalsContact O-CG2 3.29Å; L823-V827 WeakPolarHBondContact O-CG2 3.15Å; L823-V827 PolarHBondContact O-N 2.89Å; L823-Y872 HydrophobicContact CB-CD1 4.45Å; L823-Y872 HydrophobicContact CB-CE1 4.01Å; L823-Y872 HydrophobicContact CD1-CD1 3.79Å; L823-Y872 HydrophobicContact CD1-CE1 3.86Å; L823-Y872 HydrophobicContact CG-CE1 4.43Å; L823-F874 HydrophobicContact CD1-CZ 4.16Å |
| 824 | A | 92.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.7 | -41.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R417 I420 R421 R820 E821 N828 | R417-A824 HydrophobicContact CB-CB 4.33Å; R417-A824 HydrophobicContact CG-CB 4.18Å; R417-A824 WeakPolarHBondContact CG-O 3.47Å; I420-A824 HydrophobicContact CB-CB 3.94Å; I420-A824 HydrophobicContact CG2-CB 3.8Å; R421-A824 HydrophobicContact CG-CB 3.74Å; R820-A824 WeakPolarHBondContact O-CB 3.4Å; R820-A824 PolarHBondContact O-N 3.11Å; E821-A824 PolarHBondContact O-N 3.05Å; A824-N828 VanDerWaalsContact O-CB 3.24Å; A824-N828 WeakPolarHBondContact O-CB 3.37Å; A824-N828 PolarHBondContact O-N 2.97Å; A824-N828 VanDerWaalsContact O-N 3.08Å |
| 825 | D | 87.2 | Confident | 89.2 | Confident | 33 Ų | 33 | 33.5 Ų | 33.5 | 18% | 0.176 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.9 | -46.5 | 176.5 | -62.6 | -5.6 | 0 | 0 | 0 | 111 | R421 E821 L823 V827 N828 D829 R973 | R421-D825 IonicContact CZ-OD1 2.89Å; R421-D825 IonicContact NH2-OD1 3.9Å; R421-D825 PolarHBondContact NH2-OD1 3.23Å; E821-D825 PolarHBondContact O-N 3.04Å; L823-D825 VanDerWaalsContact C-N 3.28Å; L823-D825 PolarHBondContact O-N 3Å; D825-V827 PolarHBondContact O-N 2.82Å; D825-N828 WeakPolarHBondContact O-CB 3.32Å; D825-N828 PolarHBondContact O-N 3.04Å; D825-N828 VanDerWaalsContact O-N 3.17Å; D825-D829 PolarHBondContact O-N 2.98Å; D825-R973 IonicContact OD2-CZ 3.64Å; D825-R973 IonicContact OD2-NH1 2.75Å; D825-R973 PolarHBondContact OD2-NH1 2.95Å |
| 826 | A | 90.3 | Very high | 89 | Confident | 16 Ų | 16 | 42.1 Ų | 42.1 | 13% | 0.132 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.9 | -36.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L822 L823 N828 D829 A830 Y872 F874 | L822-A826 WeakPolarHBondContact O-CB 3.3Å; L822-A826 PolarHBondContact O-N 2.8Å; L823-A826 PolarHBondContact O-N 3.45Å; A826-N828 VanDerWaalsContact C-N 3.34Å; A826-D829 PolarHBondContact O-N 3.4Å; A826-A830 PolarHBondContact O-N 2.98Å; A826-Y872 HydrophobicContact CB-CG 4.35Å; A826-F874 HydrophobicContact CB-CD2 4.43Å; A826-F874 HydrophobicContact CB-CE2 3.86Å |
| 827 | V | 92.2 | Very high | 88.5 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.3 | -39.3 | 172.9 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | L416 I420 I446 L823 D825 A830 I831 F874 | L416-V827 HydrophobicContact CD2-CG1 4.35Å; I420-V827 HydrophobicContact CD1-CB 4.08Å; I420-V827 HydrophobicContact CD1-CG1 4.02Å; I420-V827 HydrophobicContact CD1-CG2 4.22Å; I446-V827 HydrophobicContact CG2-CG1 4.32Å; I446-V827 HydrophobicContact CG2-CG2 4.07Å; L823-V827 HydrophobicContact CD1-CG2 3.86Å; L823-V827 HydrophobicContact CG-CG2 4.3Å; L823-V827 WeakPolarHBondContact O-CB 3.5Å; L823-V827 VanDerWaalsContact O-CG2 3.29Å; L823-V827 WeakPolarHBondContact O-CG2 3.15Å; L823-V827 PolarHBondContact O-N 2.89Å; D825-V827 PolarHBondContact O-N 2.82Å; V827-A830 PolarHBondContact O-N 2.87Å; V827-I831 HydrophobicContact CG1-CD1 4.06Å; V827-I831 WeakPolarHBondContact O-CD1 3.25Å; V827-I831 VanDerWaalsContact O-CG1 3.3Å; V827-I831 WeakPolarHBondContact O-CG1 3.48Å; V827-I831 PolarHBondContact O-N 2.85Å; V827-F874 HydrophobicContact CG2-CE2 4.12Å; V827-F874 HydrophobicContact CG2-CZ 4.33Å |
| 828 | N | 91.6 | Very high | 87.9 | Confident | 7 Ų | 7 | 36.5 Ų | 36.5 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.8 | -41.3 | 174.6 | 169.6 | 96 | 0 | 0 | 0 | 112.7 | R413 R417 A824 D825 A826 I831 L832 | R413-N828 PolarHBondContact NH1-OD1 3.1Å; R417-N828 VanDerWaalsContact CD-CB 3.5Å; R417-N828 VanDerWaalsContact CD-OD1 3.25Å; R417-N828 WeakPolarHBondContact CD-OD1 3.29Å; R417-N828 HydrophobicContact CG-CB 3.83Å; A824-N828 VanDerWaalsContact O-CB 3.24Å; A824-N828 WeakPolarHBondContact O-CB 3.37Å; A824-N828 PolarHBondContact O-N 2.97Å; A824-N828 VanDerWaalsContact O-N 3.08Å; D825-N828 WeakPolarHBondContact O-CB 3.32Å; D825-N828 PolarHBondContact O-N 3.04Å; D825-N828 VanDerWaalsContact O-N 3.17Å; A826-N828 VanDerWaalsContact C-N 3.34Å; N828-I831 PolarHBondContact O-N 3.16Å; N828-L832 WeakPolarHBondContact ND2-CD1 3.45Å; N828-L832 WeakPolarHBondContact O-CG 3.2Å; N828-L832 PolarHBondContact O-N 3.26Å |
| 829 | D | 87.5 | Confident | 87.5 | Confident | 55 Ų | 55 | 34.1 Ų | 34.1 | 29% | 0.294 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64.2 | -42.1 | 176.2 | -71.6 | 5 | 0 | 0 | 0 | 111 | D825 A826 I831 L832 V833 C839 | D825-D829 PolarHBondContact O-N 2.98Å; A826-D829 PolarHBondContact O-N 3.4Å; D829-I831 VanDerWaalsContact C-N 3.34Å; D829-I831 PolarHBondContact O-N 2.83Å; D829-L832 PolarHBondContact O-N 2.95Å; D829-V833 WeakPolarHBondContact O-CG2 3.28Å; D829-V833 PolarHBondContact O-N 2.91Å; D829-C839 HydrophobicContact CB-CB 4.06Å |
| 830 | A | 90.5 | Very high | 86.9 | Confident | 17 Ų | 17 | 36.5 Ų | 36.5 | 14% | 0.14 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.7 | -41.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I446 A826 V827 H834 F874 | I446-A830 HydrophobicContact CD1-CB 3.84Å; A826-A830 PolarHBondContact O-N 2.98Å; V827-A830 PolarHBondContact O-N 2.87Å; A830-H834 VanDerWaalsContact O-CB 3.31Å; A830-H834 WeakPolarHBondContact O-CB 3.33Å; A830-H834 PolarHBondContact O-N 2.85Å; A830-F874 HydrophobicContact CB-CB 4.17Å; A830-F874 HydrophobicContact CB-CD2 3.99Å; A830-F874 HydrophobicContact CB-CG 4.41Å |
| 831 | I | 90.9 | Very high | 86.2 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.7 | -45.9 | 173.9 | -66.8 | 160.8 | 0 | 0 | 0 | 111.1 | R413 L416 L432 F436 L439 V827 N828 D829 V833 H834 L835 | R413-I831 HydrophobicContact CG-CG2 3.85Å; L416-I831 HydrophobicContact CD2-CD1 3.58Å; L432-I831 HydrophobicContact CD1-CD1 4.31Å; F436-I831 HydrophobicContact CD1-CG1 4.41Å; F436-I831 HydrophobicContact CD1-CG2 3.65Å; F436-I831 HydrophobicContact CD2-CD1 4Å; F436-I831 HydrophobicContact CD2-CG1 4.49Å; F436-I831 HydrophobicContact CE1-CG2 3.43Å; F436-I831 VanDerWaalsContact CE1-CG2 3.43Å; F436-I831 HydrophobicContact CE2-CD1 4Å; F436-I831 HydrophobicContact CG-CD1 4.32Å; F436-I831 HydrophobicContact CG-CG1 4.32Å; F436-I831 HydrophobicContact CG-CG2 4.35Å; F436-I831 HydrophobicContact CZ-CD1 4.32Å; F436-I831 HydrophobicContact CZ-CG2 3.99Å; L439-I831 HydrophobicContact CD2-CB 4.26Å; L439-I831 HydrophobicContact CD2-CG1 3.5Å; V827-I831 HydrophobicContact CG1-CD1 4.06Å; V827-I831 WeakPolarHBondContact O-CD1 3.25Å; V827-I831 VanDerWaalsContact O-CG1 3.3Å; V827-I831 WeakPolarHBondContact O-CG1 3.48Å; V827-I831 PolarHBondContact O-N 2.85Å; N828-I831 PolarHBondContact O-N 3.16Å; D829-I831 VanDerWaalsContact C-N 3.34Å; D829-I831 PolarHBondContact O-N 2.83Å; I831-V833 PolarHBondContact O-N 3.2Å; I831-H834 PolarHBondContact O-N 3.05Å; I831-L835 HydrophobicContact CG2-CD1 3.75Å; I831-L835 HydrophobicContact CG2-CG 4.28Å; I831-L835 WeakPolarHBondContact O-CB 3.38Å; I831-L835 VanDerWaalsContact O-CG 3.27Å; I831-L835 WeakPolarHBondContact O-CG 2.95Å; I831-L835 PolarHBondContact O-N 2.97Å |
| 832 | L | 87.5 | Confident | 85.8 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.4 | -46.4 | 178.7 | -76 | 167.7 | 0 | 0 | 0 | 111.8 | H247 N828 D829 H834 L835 K836 Q837 | H247-L832 VanDerWaalsContact CE1-CD1 3.43Å; H247-L832 WeakPolarHBondContact CE1-CD1 3.41Å; H247-L832 WeakPolarHBondContact NE2-CD1 3.5Å; N828-L832 WeakPolarHBondContact ND2-CD1 3.45Å; N828-L832 WeakPolarHBondContact O-CG 3.2Å; N828-L832 PolarHBondContact O-N 3.26Å; D829-L832 PolarHBondContact O-N 2.95Å; L832-H834 VanDerWaalsContact C-N 3.34Å; L832-H834 PolarHBondContact O-N 3.23Å; L832-L835 CarbonylContact O-C 3.14Å; L832-L835 PolarHBondContact O-N 3.29Å; L832-K836 PolarHBondContact O-N 2.97Å; L832-K836 VanDerWaalsContact O-N 3.17Å; L832-Q837 CarbonylContact C-O 3.54Å; L832-Q837 HydrophobicContact CB-CB 4.49Å; L832-Q837 HydrophobicContact CD2-CB 3.97Å; L832-Q837 WeakPolarHBondContact O-CA 3.47Å; L832-Q837 PolarHBondContact O-N 2.86Å |
| 833 | V | 85.5 | Confident | 85.4 | Confident | 34 Ų | 34 | 35.6 Ų | 35.6 | 21% | 0.206 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.4 | -38.1 | 177.9 | -177.7 | 0 | 0 | 0 | 0 | 111.6 | D829 I831 L835 K836 C839 | D829-V833 WeakPolarHBondContact O-CG2 3.28Å; D829-V833 PolarHBondContact O-N 2.91Å; I831-V833 PolarHBondContact O-N 3.2Å; V833-L835 VanDerWaalsContact C-N 3.33Å; V833-L835 PolarHBondContact O-N 3.2Å; V833-K836 WeakPolarHBondContact O-CA 3.49Å; V833-K836 PolarHBondContact O-N 3.24Å; V833-C839 HydrophobicContact CG2-CB 3.82Å |
| 834 | H | 86.8 | Confident | 84.8 | Confident | 59 Ų | 59 | 37.9 Ų | 37.9 | 27% | 0.273 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.1 | -37.3 | 174.1 | -177.6 | 79.7 | 0 | 0 | 0 | 112.7 | T438 L439 A830 I831 L832 K836 | T438-H834 VanDerWaalsContact C-CE1 3.45Å; T438-H834 PolarHBondContact O-CE1 2.86Å; T438-H834 PolarHBondContact OG1-NE2 3.49Å; L439-H834 HydrophobicContact CD1-CB 4.07Å; L439-H834 HydrophobicContact CD2-CB 4.37Å; L439-H834 PolarHBondContact N-CE1 2.96Å; L439-H834 PolarHBondContact N-NE2 2.97Å; A830-H834 VanDerWaalsContact O-CB 3.31Å; A830-H834 WeakPolarHBondContact O-CB 3.33Å; A830-H834 PolarHBondContact O-N 2.85Å; I831-H834 PolarHBondContact O-N 3.05Å; L832-H834 VanDerWaalsContact C-N 3.34Å; L832-H834 PolarHBondContact O-N 3.23Å; H834-K836 PolarHBondContact O-N 2.83Å |
| 835 | L | 86.8 | Confident | 84 | Confident | 55 Ų | 55 | 41.3 Ų | 41.3 | 29% | 0.288 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 2 | 171.1 | -65.6 | 172.2 | 0 | 0 | 0 | 113.5 | I409 I831 L832 V833 Q837 | I409-L835 HydrophobicContact CG2-CD1 3.74Å; I831-L835 HydrophobicContact CG2-CD1 3.75Å; I831-L835 HydrophobicContact CG2-CG 4.28Å; I831-L835 WeakPolarHBondContact O-CB 3.38Å; I831-L835 VanDerWaalsContact O-CG 3.27Å; I831-L835 WeakPolarHBondContact O-CG 2.95Å; I831-L835 PolarHBondContact O-N 2.97Å; L832-L835 CarbonylContact O-C 3.14Å; L832-L835 PolarHBondContact O-N 3.29Å; V833-L835 VanDerWaalsContact C-N 3.33Å; V833-L835 PolarHBondContact O-N 3.2Å; L835-Q837 VanDerWaalsContact C-N 3.27Å; L835-Q837 HydrophobicContact CB-CG 4.24Å; L835-Q837 PolarHBondContact O-N 2.96Å |
| 836 | K | 85 | Confident | 83.4 | Confident | 183 Ų | 183 | 42.1 Ų | 42.1 | 80% | 0.796 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 32.5 | -175.8 | -53.2 | -177.1 | -178.7 | -178.6 | 0 | 113.7 | L832 V833 H834 | L832-K836 PolarHBondContact O-N 2.97Å; L832-K836 VanDerWaalsContact O-N 3.17Å; V833-K836 WeakPolarHBondContact O-CA 3.49Å; V833-K836 PolarHBondContact O-N 3.24Å; H834-K836 PolarHBondContact O-N 2.83Å |
| 837 | Q | 78.8 | Confident | 82.7 | Confident | 13 Ų | 13 | 45.2 Ų | 45.2 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | trans | -108.6 | 154.2 | 178.8 | -66.2 | -179.9 | 6.9 | 0 | 0 | 110.7 | P404 L832 L835 C839 | P404-Q837 HydrophobicContact CG-CG 4.23Å; P404-Q837 PolarHBondContact O-NE2 3.05Å; L832-Q837 CarbonylContact C-O 3.54Å; L832-Q837 HydrophobicContact CB-CB 4.49Å; L832-Q837 HydrophobicContact CD2-CB 3.97Å; L832-Q837 WeakPolarHBondContact O-CA 3.47Å; L832-Q837 PolarHBondContact O-N 2.86Å; L835-Q837 VanDerWaalsContact C-N 3.27Å; L835-Q837 HydrophobicContact CB-CG 4.24Å; L835-Q837 PolarHBondContact O-N 2.96Å; Q837-C839 PolarHBondContact O-N 2.86Å | ||
| 838 | P | 74.9 | Confident | 81.6 | Confident | 52 Ų | 52 | 47.9 Ų | 47.9 | 34% | 0.338 | 26% | 0.259 | S | S | . | . | trans | -66.3 | 120.1 | -178.7 | 27.2 | -35 | 0 | 0 | 0 | 110.9 | H247 R840 | H247-P838 PolarHBondContact NE2-O 2.88Å; P838-R840 PolarHBondContact O-N 2.82Å | ||
| 839 | C | 78.1 | Confident | 80.7 | Confident | 40 Ų | 40 | 55.4 Ų | 55.4 | 27% | 0.27 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -58.6 | -26 | 175.8 | 51.4 | 0 | 0 | 0 | 0 | 113.4 | H247 D829 V833 Q837 | H247-C839 PolarHBondContact CE1-O 3.33Å; H247-C839 PolarHBondContact NE2-O 2.84Å; H247-C839 VanDerWaalsContact NE2-O 3.12Å; D829-C839 HydrophobicContact CB-CB 4.06Å; V833-C839 HydrophobicContact CG2-CB 3.82Å; Q837-C839 PolarHBondContact O-N 2.86Å |
| 840 | R | 76.7 | Confident | 79.7 | Confident | 61 Ų | 61 | 57.2 Ų | 57.2 | 23% | 0.23 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -114.1 | 143.7 | 176.1 | -67.2 | -174.9 | 174 | -146.3 | -0.1 | 112 | P838 I845 L971 L972 | P838-R840 PolarHBondContact O-N 2.82Å; R840-I845 HydrophobicContact CB-CD1 4.24Å; R840-I845 HydrophobicContact CB-CG1 4Å; R840-L971 PolarHBondContact NH2-O 2.83Å; R840-L972 PolarHBondContact NH2-O 3.32Å |
| 841 | P | 79 | Confident | 78.2 | Confident | 8 Ų | 8 | 59 Ų | 59 | 5% | 0.052 | 30% | 0.303 | C | S | . | . | trans | -56.2 | 144.9 | 169.7 | -23.9 | 33.3 | 0 | 0 | 0 | 112.5 | Y244 H247 L843 D844 I845 | Y244-P841 HydrophobicContact CD2-CB 3.75Å; Y244-P841 HydrophobicContact CD2-CG 3.72Å; Y244-P841 HydrophobicContact CE2-CG 4.19Å; H247-P841 HydrophobicContact CB-CG 4.15Å; P841-L843 PolarHBondContact O-N 3.15Å; P841-D844 HydrophobicContact CB-CB 4.34Å; P841-D844 WeakPolarHBondContact CD-OD2 3.27Å; P841-D844 WeakPolarHBondContact CG-OD2 3.39Å; P841-D844 PolarHBondContact O-N 2.92Å; P841-I845 WeakPolarHBondContact O-CG1 3.29Å; P841-I845 PolarHBondContact O-N 3.48Å; P841-I845 VanDerWaalsContact O-N 3.1Å | ||
| 842 | V | 78 | Confident | 76.9 | Confident | 69 Ų | 69 | 64.4 Ų | 64.4 | 42% | 0.418 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.2 | -34.6 | 175.3 | -179.2 | 0 | 0 | 0 | 0 | 111.5 | L240 I845 A846 | L240-V842 HydrophobicContact CD2-CB 4.21Å; L240-V842 HydrophobicContact CD2-CG1 3.92Å; V842-I845 PolarHBondContact O-N 3.11Å; V842-A846 WeakPolarHBondContact O-CB 3.24Å; V842-A846 PolarHBondContact O-N 2.82Å |
| 843 | L | 81.3 | Confident | 75.7 | Confident | 44 Ų | 44 | 68.8 Ų | 68.8 | 23% | 0.23 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 174.9 | -177.1 | 58.1 | 0 | 0 | 0 | 112.1 | Y244 P841 A846 L847 | Y244-L843 HydrophobicContact CD2-CD2 4.32Å; Y244-L843 HydrophobicContact CG-CD2 4.18Å; P841-L843 PolarHBondContact O-N 3.15Å; L843-A846 PolarHBondContact O-N 3.33Å; L843-L847 HydrophobicContact CD1-CD1 4.33Å; L843-L847 HydrophobicContact CD1-CG 4.42Å; L843-L847 HydrophobicContact CG-CD1 4.13Å; L843-L847 WeakPolarHBondContact O-CB 3.24Å; L843-L847 VanDerWaalsContact O-CG 3.3Å; L843-L847 WeakPolarHBondContact O-CG 3.29Å; L843-L847 PolarHBondContact O-N 3.23Å |
| 844 | D | 79.7 | Confident | 74.2 | Confident | 47 Ų | 47 | 72.4 Ų | 72.4 | 25% | 0.251 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -71 | -35.4 | -179.1 | -65.3 | -4.5 | 0 | 0 | 0 | 111.6 | Y244 P841 L847 T848 | Y244-D844 WeakPolarHBondContact CD2-OD1 3.44Å; Y244-D844 WeakPolarHBondContact CE2-OD1 3.05Å; P841-D844 HydrophobicContact CB-CB 4.34Å; P841-D844 WeakPolarHBondContact CD-OD2 3.27Å; P841-D844 WeakPolarHBondContact CG-OD2 3.39Å; P841-D844 PolarHBondContact O-N 2.92Å; D844-L847 PolarHBondContact O-N 2.75Å; D844-T848 WeakPolarHBondContact O-CB 3.43Å; D844-T848 PolarHBondContact O-N 2.63Å; D844-T848 PolarHBondContact O-OG1 2.76Å |
| 845 | I | 76.6 | Confident | 72.5 | Confident | 72 Ų | 72 | 71.9 Ų | 71.9 | 37% | 0.369 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.4 | -46.3 | 172.4 | -62.9 | 167.6 | 0 | 0 | 0 | 109.9 | R840 P841 V842 T848 Y849 | R840-I845 HydrophobicContact CB-CD1 4.24Å; R840-I845 HydrophobicContact CB-CG1 4Å; P841-I845 WeakPolarHBondContact O-CG1 3.29Å; P841-I845 PolarHBondContact O-N 3.48Å; P841-I845 VanDerWaalsContact O-N 3.1Å; V842-I845 PolarHBondContact O-N 3.11Å; I845-T848 PolarHBondContact O-N 2.85Å; I845-Y849 WeakPolarHBondContact O-CB 3.47Å; I845-Y849 PolarHBondContact O-N 2.78Å |
| 846 | A | 73.5 | Confident | 70.6 | Confident | 51 Ų | 51 | 75.9 Ų | 75.9 | 42% | 0.421 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.7 | -38.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V842 L843 L850 | V842-A846 WeakPolarHBondContact O-CB 3.24Å; V842-A846 PolarHBondContact O-N 2.82Å; L843-A846 PolarHBondContact O-N 3.33Å; A846-L850 WeakPolarHBondContact O-CB 3.32Å; A846-L850 PolarHBondContact O-N 3.44Å |
| 847 | L | 75.1 | Confident | 68.5 | Low | 81 Ų | 81 | 72.2 Ų | 72.2 | 42% | 0.424 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.7 | -46.2 | 173.8 | -73 | 170.1 | 0 | 0 | 0 | 111.5 | L843 D844 Y849 L850 E851 | L843-L847 HydrophobicContact CD1-CD1 4.33Å; L843-L847 HydrophobicContact CD1-CG 4.42Å; L843-L847 HydrophobicContact CG-CD1 4.13Å; L843-L847 WeakPolarHBondContact O-CB 3.24Å; L843-L847 VanDerWaalsContact O-CG 3.3Å; L843-L847 WeakPolarHBondContact O-CG 3.29Å; L843-L847 PolarHBondContact O-N 3.23Å; D844-L847 PolarHBondContact O-N 2.75Å; L847-Y849 VanDerWaalsContact C-N 3.29Å; L847-Y849 PolarHBondContact O-N 2.76Å; L847-L850 PolarHBondContact O-N 2.84Å; L847-L850 VanDerWaalsContact O-N 3.12Å; L847-E851 WeakPolarHBondContact O-CG 3.42Å; L847-E851 PolarHBondContact O-N 2.02Å |
| 848 | T | 70.9 | Confident | 66.4 | Low | 56 Ų | 56 | 74.6 Ų | 74.6 | 34% | 0.344 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.7 | -42.1 | 176.8 | -53.7 | 0 | 0 | 0 | 0 | 111.2 | D844 I845 E851 H852 | D844-T848 WeakPolarHBondContact O-CB 3.43Å; D844-T848 PolarHBondContact O-N 2.63Å; D844-T848 PolarHBondContact O-OG1 2.76Å; I845-T848 PolarHBondContact O-N 2.85Å; T848-E851 PolarHBondContact O-N 2.87Å; T848-H852 WeakPolarHBondContact O-CB 3.43Å; T848-H852 PolarHBondContact O-N 2.85Å |
| 849 | Y | 70.9 | Confident | 64.3 | Low | 166 Ų | 166 | 77.1 Ų | 77.1 | 65% | 0.651 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -65.4 | -42.6 | 174.9 | 179.9 | -98.4 | 0 | 0 | 0 | 112.2 | I845 L847 H852 V853 | I845-Y849 WeakPolarHBondContact O-CB 3.47Å; I845-Y849 PolarHBondContact O-N 2.78Å; L847-Y849 VanDerWaalsContact C-N 3.29Å; L847-Y849 PolarHBondContact O-N 2.76Å; Y849-H852 PolarHBondContact O-N 3.24Å; Y849-V853 HydrophobicContact CD1-CG2 4.26Å; Y849-V853 HydrophobicContact CE1-CG2 3.81Å; Y849-V853 HydrophobicContact CE2-CG2 4.14Å; Y849-V853 WeakPolarHBondContact O-CG2 3.18Å; Y849-V853 PolarHBondContact O-N 2.88Å |
| 850 | L | 68.3 | Low | 62 | Low | 92 Ų | 92 | 79.1 Ų | 79.1 | 48% | 0.482 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64 | -39.7 | 177 | -172.5 | 116.2 | 0 | 0 | 0 | 112 | A846 L847 V853 L854 | A846-L850 WeakPolarHBondContact O-CB 3.32Å; A846-L850 PolarHBondContact O-N 3.44Å; L847-L850 PolarHBondContact O-N 2.84Å; L847-L850 VanDerWaalsContact O-N 3.12Å; L850-V853 PolarHBondContact O-N 3.05Å; L850-L854 HydrophobicContact CD2-CD1 3.67Å; L850-L854 HydrophobicContact CG-CD1 3.97Å; L850-L854 WeakPolarHBondContact O-CB 3.45Å; L850-L854 VanDerWaalsContact O-CG 3.25Å; L850-L854 WeakPolarHBondContact O-CG 3.43Å; L850-L854 PolarHBondContact O-N 2.85Å; L850-L854 VanDerWaalsContact O-N 3.08Å |
| 851 | E | 58.7 | Low | 59.7 | Low | 54 Ų | 54 | 81 Ų | 81 | 25% | 0.252 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60 | -49.9 | 171.6 | -70.1 | -169 | 145.2 | 0 | 0 | 110.8 | L847 T848 V853 L854 T855 S978 | L847-E851 WeakPolarHBondContact O-CG 3.42Å; L847-E851 PolarHBondContact O-N 2.02Å; T848-E851 PolarHBondContact O-N 2.87Å; E851-V853 PolarHBondContact O-N 3.11Å; E851-V853 VanDerWaalsContact O-N 3.16Å; E851-L854 PolarHBondContact O-N 3.24Å; E851-T855 PolarHBondContact O-N 3.02Å; E851-T855 PolarHBondContact O-OG1 2.63Å; E851-S978 WeakPolarHBondContact OE1-CB 3.26Å; E851-S978 PolarHBondContact OE1-OG 3.18Å |
| 852 | H | 62.1 | Low | 57.2 | Low | 115 Ų | 115 | 89.2 Ų | 89.2 | 53% | 0.532 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.7 | -13.2 | -179.7 | -161 | 59.5 | 0 | 0 | 0 | 114.8 | T848 Y849 T855 E857 | T848-H852 WeakPolarHBondContact O-CB 3.43Å; T848-H852 PolarHBondContact O-N 2.85Å; Y849-H852 PolarHBondContact O-N 3.24Å; H852-T855 VanDerWaalsContact O-O 3.13Å; H852-E857 PolarHBondContact CE1-O 3.02Å |
| 853 | V | 63.9 | Low | 54.8 | Low | 92 Ų | 92 | 89.9 Ų | 89.9 | 56% | 0.558 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -94.2 | -20.4 | 170.9 | 170.4 | 0 | 0 | 0 | 0 | 112.3 | Y849 L850 E851 | Y849-V853 HydrophobicContact CD1-CG2 4.26Å; Y849-V853 HydrophobicContact CE1-CG2 3.81Å; Y849-V853 HydrophobicContact CE2-CG2 4.14Å; Y849-V853 WeakPolarHBondContact O-CG2 3.18Å; Y849-V853 PolarHBondContact O-N 2.88Å; L850-V853 PolarHBondContact O-N 3.05Å; E851-V853 PolarHBondContact O-N 3.11Å; E851-V853 VanDerWaalsContact O-N 3.16Å |
| 854 | L | 53.3 | Low | 52.2 | Low | 111 Ų | 111 | 92.8 Ų | 92.8 | 58% | 0.581 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -95.3 | -31.8 | 178.7 | -71.1 | 173.5 | 0 | 0 | 0 | 113.1 | L850 E851 I980 | L850-L854 HydrophobicContact CD2-CD1 3.67Å; L850-L854 HydrophobicContact CG-CD1 3.97Å; L850-L854 WeakPolarHBondContact O-CB 3.45Å; L850-L854 VanDerWaalsContact O-CG 3.25Å; L850-L854 WeakPolarHBondContact O-CG 3.43Å; L850-L854 PolarHBondContact O-N 2.85Å; L850-L854 VanDerWaalsContact O-N 3.08Å; E851-L854 PolarHBondContact O-N 3.24Å; L854-I980 HydrophobicContact CD1-CD1 4.18Å |
| 855 | T | 51.8 | Low | 49.9 | Very low | 48 Ų | 48 | 97.6 Ų | 97.6 | 29% | 0.294 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -94.4 | 118.6 | 165 | 60.9 | 0 | 0 | 0 | 0 | 108.2 | M27 E851 H852 E857 | M27-T855 HydrophobicContact CE-CG2 4.3Å; E851-T855 PolarHBondContact O-N 3.02Å; E851-T855 PolarHBondContact O-OG1 2.63Å; H852-T855 VanDerWaalsContact O-O 3.13Å; T855-E857 PolarHBondContact O-N 2.92Å |
| 856 | D | 45.2 | Very low | 47.9 | Very low | 139 Ų | 139 | 98.2 Ų | 98.2 | 74% | 0.743 | 55% | 0.552 | S | S | * | * | trans | -74.9 | 43.6 | 179.9 | -153.9 | 1.8 | 0 | 0 | 0 | 112 | G858 | D856-G858 PolarHBondContact O-N 3.23Š| ||
| 857 | E | 41.4 | Very low | 46.2 | Very low | 105 Ų | 105 | 97.9 Ų | 97.9 | 49% | 0.491 | 55% | 0.554 | S | S | . | * | trans | -77.9 | 44.8 | -179.7 | -75.2 | -79.3 | 139.9 | 0 | 0 | 110.7 | H852 T855 S859 | H852-E857 PolarHBondContact CE1-O 3.02Å; T855-E857 PolarHBondContact O-N 2.92Å; E857-S859 PolarHBondContact O-N 3.34Å | ||
| 858 | G | 34 | Very low | 45 | Very low | 63 Ų | 63 | 95.7 Ų | 95.7 | 65% | 0.649 | 55% | 0.545 | S | S | * | . | trans | -68.4 | 20.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | D856 | D856-G858 PolarHBondContact O-N 3.23Š| ||
| 859 | S | 30.9 | Very low | 44.2 | Very low | 105 Ų | 105 | 94.9 Ų | 94.9 | 73% | 0.734 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -167.5 | 127.5 | 170.2 | -83.9 | 0 | 0 | 0 | 0 | 111.8 | E857 | E857-S859 PolarHBondContact O-N 3.34Š|
| 860 | S | 29.7 | Very low | 43.7 | Very low | 83 Ų | 83 | 88 Ų | 88 | 58% | 0.58 | 51% | 0.514 | S | S | * | . | trans | 59.4 | 74.4 | 169.6 | -156.8 | 0 | 0 | 0 | 0 | 115.1 | K862 | S860-K862 PolarHBondContact O-N 2.99Š| ||
| 861 | C | 28.8 | Very low | 43.9 | Very low | 100 Ų | 100 | 84 Ų | 84 | 68% | 0.676 | 49% | 0.493 | S | S | * | . | trans | -57.6 | 93.4 | 142.7 | 54.3 | 0 | 0 | 0 | 0 | 108.1 | T863 | C861-T863 PolarHBondContact O-N 2.97Š| ||
| 862 | K | 27.7 | Very low | 44.8 | Very low | 180 Ų | 180 | 82.5 Ų | 82.5 | 78% | 0.783 | 49% | 0.485 | S | S | * | . | trans | -67.1 | 83.7 | 163 | -72.6 | -175.8 | -179.7 | 175.4 | 0 | 106.7 | S860 T864 | S860-K862 PolarHBondContact O-N 2.99Å; K862-T864 VanDerWaalsContact C-N 3.33Å; K862-T864 PolarHBondContact O-N 3.07Å | ||
| 863 | T | 27.9 | Very low | 45.4 | Very low | 83 Ų | 83 | 81.9 Ų | 81.9 | 51% | 0.509 | 48% | 0.478 | S | S | . | . | trans | -50.3 | 107.7 | 156 | 47.6 | 0 | 0 | 0 | 0 | 105.8 | C861 N865 | C861-T863 PolarHBondContact O-N 2.97Å; T863-N865 PolarHBondContact O-N 2.82Å | ||
| 864 | T | 26.7 | Very low | 46.1 | Very low | 105 Ų | 105 | 78.7 Ų | 78.7 | 64% | 0.644 | 46% | 0.457 | S | S | * | . | trans | -56.8 | 116.2 | 166.8 | 37.4 | 0 | 0 | 0 | 0 | 105.4 | K862 N866 | K862-T864 VanDerWaalsContact C-N 3.33Å; K862-T864 PolarHBondContact O-N 3.07Å; T864-N866 PolarHBondContact O-N 3.07Å | ||
| 865 | N | 30.7 | Very low | 46.6 | Very low | 148 Ų | 148 | 79 Ų | 79 | 79% | 0.791 | 45% | 0.454 | S | S | * | . | trans | -72.2 | 67.4 | -177.2 | -81.6 | -15.2 | 0 | 0 | 0 | 109.2 | T863 G867 | T863-N865 PolarHBondContact O-N 2.82Å; N865-G867 PolarHBondContact O-N 2.93Å | ||
| 866 | N | 33.9 | Very low | 46.4 | Very low | 85 Ų | 85 | 79.1 Ų | 79.1 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | trans | -68.3 | 87.9 | 170.4 | -64.5 | -22.5 | 0 | 0 | 0 | 106.1 | T864 S868 F869 | T864-N866 PolarHBondContact O-N 3.07Å; N866-S868 PolarHBondContact O-N 2.69Å; N866-F869 HydrophobicContact CB-CD2 3.61Å; N866-F869 HydrophobicContact CB-CE2 3.88Å; N866-F869 PolarHBondContact O-N 2.74Å | ||
| 867 | G | 37.5 | Very low | 45.8 | Very low | 44 Ų | 44 | 76 Ų | 76 | 45% | 0.454 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -49.1 | -30.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | N865 F869 A870 | N865-G867 PolarHBondContact O-N 2.93Å; G867-F869 PolarHBondContact O-N 3.42Å; G867-A870 PolarHBondContact O-N 3.22Å; G867-A870 VanDerWaalsContact O-N 3.12Å |
| 868 | S | 50.4 | Low | 45.3 | Very low | 36 Ų | 36 | 79.9 Ų | 79.9 | 25% | 0.252 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -54.9 | -13.2 | 174.6 | -37.4 | 0 | 0 | 0 | 0 | 117 | Y819 N866 F871 Y872 | Y819-S868 VanDerWaalsContact OH-CB 3.31Å; Y819-S868 WeakPolarHBondContact OH-CB 3.45Å; Y819-S868 PolarHBondContact OH-OG 2.93Å; N866-S868 PolarHBondContact O-N 2.69Å; S868-F871 WeakPolarHBondContact O-CD2 3.09Å; S868-Y872 WeakPolarHBondContact O-CE2 3.44Å |
| 869 | F | 54.6 | Low | 44.8 | Very low | 39 Ų | 39 | 81.7 Ų | 81.7 | 17% | 0.171 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -104.5 | -23.6 | 177.7 | -66.5 | -97.5 | 0 | 0 | 0 | 113.5 | L822 N866 G867 F871 Y872 L972 | L822-F869 HydrophobicContact CD1-CD1 4.03Å; L822-F869 HydrophobicContact CD1-CE1 3.51Å; L822-F869 HydrophobicContact CD1-CZ 4.11Å; L822-F869 HydrophobicContact CD2-CD1 4.32Å; L822-F869 HydrophobicContact CD2-CE1 3.78Å; L822-F869 HydrophobicContact CG-CE1 4.3Å; N866-F869 HydrophobicContact CB-CD2 3.61Å; N866-F869 HydrophobicContact CB-CE2 3.88Å; N866-F869 PolarHBondContact O-N 2.74Å; G867-F869 PolarHBondContact O-N 3.42Å; F869-F871 PolarHBondContact O-N 3.27Å; F869-Y872 PolarHBondContact O-N 2.78Å; F869-L972 HydrophobicContact CB-CD2 3.62Å |
| 870 | A | 61 | Low | 44.5 | Very low | 20 Ų | 20 | 84.4 Ų | 84.4 | 17% | 0.165 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -67.8 | -23.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E789 G867 Y872 R873 | E789-A870 HydrophobicContact CB-CB 3.96Å; E789-A870 HydrophobicContact CG-CB 3.69Å; G867-A870 PolarHBondContact O-N 3.22Å; G867-A870 VanDerWaalsContact O-N 3.12Å; A870-Y872 PolarHBondContact O-N 2.77Å; A870-Y872 VanDerWaalsContact O-N 3.07Å; A870-R873 PolarHBondContact O-N 3.25Å |
| 871 | F | 72.2 | Confident | 44.3 | Very low | 9 Ų | 9 | 85.2 Ų | 85.2 | 4% | 0.039 | 50% | 0.496 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -25.5 | 171.6 | -55.2 | -27.7 | 0 | 0 | 0 | 114.6 | E789 Q790 L792 L793 L814 S868 F869 | E789-F871 VanDerWaalsContact C-CD1 3.49Å; E789-F871 HydrophobicContact CB-CD1 3.79Å; E789-F871 HydrophobicContact CB-CE1 4.26Å; E789-F871 WeakPolarHBondContact O-CD1 3.4Å; E789-F871 WeakPolarHBondContact O-CE1 3.43Å; Q790-F871 VanDerWaalsContact CG-O 3.3Å; Q790-F871 WeakPolarHBondContact CG-O 3.28Å; L792-F871 HydrophobicContact CB-CE1 4.26Å; L793-F871 HydrophobicContact CB-CB 4.39Å; L793-F871 HydrophobicContact CB-CD1 3.91Å; L793-F871 HydrophobicContact CB-CD2 3.97Å; L793-F871 HydrophobicContact CB-CE1 4.06Å; L793-F871 HydrophobicContact CB-CE2 4.09Å; L793-F871 HydrophobicContact CB-CG 3.86Å; L793-F871 HydrophobicContact CB-CZ 4.13Å; L793-F871 HydrophobicContact CD1-CD2 3.72Å; L793-F871 HydrophobicContact CD1-CE2 3.78Å; L793-F871 HydrophobicContact CD1-CG 4.4Å; L793-F871 HydrophobicContact CD2-CB 4.2Å; L793-F871 HydrophobicContact CD2-CD2 4.43Å; L793-F871 HydrophobicContact CD2-CG 4.42Å; L793-F871 HydrophobicContact CG-CD2 4.23Å; L793-F871 HydrophobicContact CG-CE2 4.49Å; L793-F871 HydrophobicContact CG-CG 4.44Å; L814-F871 HydrophobicContact CD2-CE2 4.23Å; S868-F871 WeakPolarHBondContact O-CD2 3.09Å; F869-F871 PolarHBondContact O-N 3.27Å |
| 872 | Y | 77.8 | Confident | 44 | Very low | 22 Ų | 22 | 86.2 Ų | 86.2 | 9% | 0.086 | 50% | 0.504 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 14.7 | -173 | -53.8 | -54.4 | 0 | 0 | 0 | 114.5 | V449 H453 Y819 L822 L823 A826 S868 F869 A870 F874 | V449-Y872 HydrophobicContact CG1-CD1 4.03Å; V449-Y872 HydrophobicContact CG1-CE1 4.01Å; H453-Y872 PolarHBondContact CE1-OH 3.02Å; H453-Y872 AromaticContact NE2-CE1 3.5Å; H453-Y872 AromaticContact NE2-CZ 3.62Å; H453-Y872 PolarHBondContact NE2-OH 2.88Å; Y819-Y872 HydrophobicContact CD1-CE2 4.23Å; Y819-Y872 WeakPolarHBondContact CD1-OH 3.36Å; L822-Y872 HydrophobicContact CB-CD2 4.41Å; L822-Y872 HydrophobicContact CB-CE2 4.01Å; L823-Y872 HydrophobicContact CB-CD1 4.45Å; L823-Y872 HydrophobicContact CB-CE1 4.01Å; L823-Y872 HydrophobicContact CD1-CD1 3.79Å; L823-Y872 HydrophobicContact CD1-CE1 3.86Å; L823-Y872 HydrophobicContact CG-CE1 4.43Å; A826-Y872 HydrophobicContact CB-CG 4.35Å; S868-Y872 WeakPolarHBondContact O-CE2 3.44Å; F869-Y872 PolarHBondContact O-N 2.78Å; A870-Y872 PolarHBondContact O-N 2.77Å; A870-Y872 VanDerWaalsContact O-N 3.07Å; Y872-F874 WeakPolarHBondContact O-CD2 3.25Å; Y872-F874 PolarHBondContact O-N 2.92Å |
| 873 | R | 74.5 | Confident | 43.8 | Very low | 103 Ų | 103 | 81 Ų | 81 | 39% | 0.389 | 50% | 0.501 | S | S | . | . | trans | -81.6 | 109 | 173.6 | -173 | -174.8 | -80.1 | 116.4 | -11.3 | 110.7 | E789 Q790 A870 N970 | E789-R873 IonicContact OE1-NH1 3.22Å; E789-R873 PolarHBondContact OE1-NH1 3.37Å; Q790-R873 PolarHBondContact NE2-O 3.4Å; A870-R873 PolarHBondContact O-N 3.25Å; R873-N970 PolarHBondContact NH2-OD1 2.67Å | ||
| 874 | F | 78.2 | Confident | 43.8 | Very low | 25 Ų | 25 | 84.8 Ų | 84.8 | 11% | 0.11 | 52% | 0.517 | C | S | . | . | trans | -96.9 | 161.5 | 177.9 | -60.1 | -55.5 | 0 | 0 | 0 | 112.5 | D443 I446 V449 L823 A826 V827 A830 Y872 S876 | D443-F874 WeakPolarHBondContact OD2-CB 3.22Å; I446-F874 HydrophobicContact CB-CD1 4.32Å; I446-F874 HydrophobicContact CB-CE1 4.26Å; I446-F874 HydrophobicContact CD1-CB 4.49Å; I446-F874 HydrophobicContact CD1-CG 4.39Å; I446-F874 HydrophobicContact CG1-CB 4.1Å; I446-F874 HydrophobicContact CG1-CD1 3.46Å; I446-F874 VanDerWaalsContact CG1-CD1 3.46Å; I446-F874 HydrophobicContact CG1-CD2 4.1Å; I446-F874 HydrophobicContact CG1-CE1 3.84Å; I446-F874 HydrophobicContact CG1-CE2 4.4Å; I446-F874 HydrophobicContact CG1-CG 3.62Å; I446-F874 HydrophobicContact CG1-CZ 4.29Å; V449-F874 HydrophobicContact CB-CE1 4.06Å; V449-F874 HydrophobicContact CB-CZ 4.26Å; V449-F874 HydrophobicContact CG1-CZ 4.34Å; V449-F874 HydrophobicContact CG2-CE1 3.94Å; L823-F874 HydrophobicContact CD1-CZ 4.16Å; A826-F874 HydrophobicContact CB-CD2 4.43Å; A826-F874 HydrophobicContact CB-CE2 3.86Å; V827-F874 HydrophobicContact CG2-CE2 4.12Å; V827-F874 HydrophobicContact CG2-CZ 4.33Å; A830-F874 HydrophobicContact CB-CB 4.17Å; A830-F874 HydrophobicContact CB-CD2 3.99Å; A830-F874 HydrophobicContact CB-CG 4.41Å; Y872-F874 WeakPolarHBondContact O-CD2 3.25Å; Y872-F874 PolarHBondContact O-N 2.92Å; F874-S876 PolarHBondContact O-N 3.05Å | ||
| 875 | K | 63.5 | Low | 43.6 | Very low | 118 Ų | 118 | 84.3 Ų | 84.3 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | trans | -88.3 | 86.4 | -174.3 | -79.3 | -172.9 | 176.3 | -179.9 | 0 | 112.1 | D443 G784 V785 G877 | D443-K875 PolarHBondContact OD2-N 3.2Å; G784-K875 PolarHBondContact O-NZ 2.82Å; V785-K875 WeakPolarHBondContact O-CE 3.44Å; V785-K875 PolarHBondContact O-NZ 3.32Å; K875-G877 PolarHBondContact O-N 3.41Å | ||
| 876 | S | 47.1 | Very low | 43.6 | Very low | 50 Ų | 50 | 83.6 Ų | 83.6 | 35% | 0.35 | 52% | 0.519 | S | S | . | . | trans | -68.9 | 85.6 | 176 | 58.7 | 0 | 0 | 0 | 0 | 114.1 | F874 Q878 | F874-S876 PolarHBondContact O-N 3.05Å; S876-Q878 PolarHBondContact O-N 3.36Å | ||
| 877 | G | 34.4 | Very low | 43.2 | Very low | 73 Ų | 73 | 86 Ų | 86 | 75% | 0.753 | 53% | 0.532 | S | S | * | . | S | Bend | trans | 60.5 | 45 | 142.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | K875 | K875-G877 PolarHBondContact O-N 3.41Š|
| 878 | Q | 29.3 | Very low | 42.7 | Very low | 186 Ų | 186 | 89.1 Ų | 89.1 | 87% | 0.869 | 54% | 0.544 | S | S | * | . | trans | -125.3 | 90.2 | 163.3 | -74.5 | -162.1 | 4.9 | 0 | 0 | 112.4 | S876 | S876-Q878 PolarHBondContact O-N 3.36Š| ||
| 879 | S | 24.4 | Very low | 41.4 | Very low | 102 Ų | 102 | 95.1 Ų | 95.1 | 71% | 0.713 | 57% | 0.572 | S | S | * | * | trans | -149.4 | 64.2 | 170.4 | 63.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 880 | N | 24.4 | Very low | 40.3 | Very low | 162 Ų | 162 | 102.1 Ų | 102.1 | 87% | 0.866 | 61% | 0.606 | S | S | * | * | trans | -168.8 | 68.9 | 156.5 | -97.8 | -21.1 | 0 | 0 | 0 | 110.4 | ||||
| 881 | A | 25.5 | Very low | 38.7 | Very low | 99 Ų | 99 | 107.7 Ų | 107.7 | 82% | 0.818 | 63% | 0.633 | S | S | * | * | trans | -128.5 | 47 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | G883 | A881-G883 VanDerWaalsContact C-N 3.27Å; A881-G883 PolarHBondContact O-N 3.33Å | ||
| 882 | S | 22.8 | Very low | 36.5 | Very low | 122 Ų | 122 | 117.3 Ų | 117.3 | 85% | 0.853 | 67% | 0.669 | S | S | * | * | trans | -69.4 | 81.7 | 173.6 | 54 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 883 | G | 23.9 | Very low | 34.2 | Very low | 69 Ų | 69 | 123.8 Ų | 123.8 | 71% | 0.711 | 70% | 0.704 | S | S | * | * | trans | -164.8 | 17.5 | -165.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | A881 | A881-G883 VanDerWaalsContact C-N 3.27Å; A881-G883 PolarHBondContact O-N 3.33Å | ||
| 884 | L | 26.7 | Very low | 32 | Very low | 164 Ų | 164 | 123 Ų | 123 | 86% | 0.859 | 72% | 0.72 | S | S | * | * | trans | -158.6 | 107.4 | 163 | -109.3 | 169.3 | 0 | 0 | 0 | 109.8 | ||||
| 885 | S | 22.6 | Very low | 29.7 | Very low | 95 Ų | 95 | 127.6 Ų | 127.6 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | trans | -84.2 | 136.9 | 168.5 | -169.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 886 | V | 29.9 | Very low | 27.9 | Very low | 133 Ų | 133 | 127.8 Ų | 127.8 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | trans | -141.1 | 109.2 | 157.4 | -175.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 887 | D | 26.5 | Very low | 26.9 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | -68.7 | 144.2 | -177.5 | -62.8 | -80.5 | 0 | 0 | 0 | 112.9 | ||||
| 888 | P | 27.8 | Very low | 26.5 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | trans | -84.3 | 141.8 | 172.7 | 33.4 | -33.1 | 0 | 0 | 0 | 112.4 | ||||
| 889 | L | 23.3 | Very low | 26.4 | Very low | 162 Ų | 162 | 133.9 Ų | 133.9 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | trans | 72.2 | 106 | 165 | -54.8 | 166.8 | 0 | 0 | 0 | 118.2 | ||||
| 890 | Q | 30.5 | Very low | 26.5 | Very low | 187 Ų | 187 | 131.9 Ų | 131.9 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | -163.3 | 155.4 | 108.6 | -108.2 | 177.4 | 52.6 | 0 | 0 | 113.7 | |||||
| 891 | N | 27.9 | Very low | 26.7 | Very low | 137 Ų | 137 | 126.2 Ų | 126.2 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | trans | 59.1 | 145.5 | -178.4 | -84.7 | -16.7 | 0 | 0 | 0 | 118.1 | ||||
| 892 | R | 25.9 | Very low | 26.7 | Very low | 211 Ų | 211 | 127.5 Ų | 127.5 | 80% | 0.796 | 72% | 0.721 | S | S | * | * | cis | -177.6 | 155 | -44.2 | -115.8 | -179 | 173.8 | 168.5 | -3.5 | 106.4 | ||||
| 893 | N | 29.2 | Very low | 27 | Very low | 157 Ų | 157 | 128.9 Ų | 128.9 | 84% | 0.84 | 72% | 0.717 | S | S | * | * | trans | 72.5 | 126.8 | 175.5 | -43.2 | -24.6 | 0 | 0 | 0 | 114.3 | ||||
| 894 | A | 29.1 | Very low | 27 | Very low | 87 Ų | 87 | 131.5 Ų | 131.5 | 72% | 0.719 | 72% | 0.724 | S | S | * | * | cis | -155.8 | 146.3 | -8.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 895 | T | 28.1 | Very low | 26.9 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 74% | 0.742 | 72% | 0.719 | S | S | * | * | trans | 35.7 | 101.6 | 138.3 | -38.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 896 | T | 26.4 | Very low | 27.1 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 76% | 0.755 | 72% | 0.722 | S | S | * | * | 48.9 | 143.6 | 89.3 | 69.3 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 897 | R | 26.6 | Very low | 26.9 | Very low | 238 Ų | 238 | 130 Ų | 130 | 90% | 0.898 | 72% | 0.716 | S | S | * | * | cis | -160.8 | -173.2 | 36.2 | -146.1 | 171.9 | -174.2 | 176.5 | 0.5 | 112.1 | ||||
| 898 | T | 26.1 | Very low | 26.9 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 67% | 0.669 | 72% | 0.723 | S | S | * | * | trans | -89.2 | 179.9 | -175.9 | 58.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 899 | T | 26.6 | Very low | 26.9 | Very low | 90 Ų | 90 | 134.4 Ų | 134.4 | 55% | 0.552 | 72% | 0.72 | S | S | * | * | cis | -156.3 | -170.8 | 24 | -27.2 | 0 | 0 | 0 | 0 | 112.1 | I669 | I669-T899 HydrophobicContact CG2-CG2 3.62Š| ||
| 900 | A | 27.4 | Very low | 27.1 | Very low | 59 Ų | 59 | 132.9 Ų | 132.9 | 49% | 0.488 | 71% | 0.713 | S | S | . | * | trans | -121.3 | 177.5 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | I669 K670 | I669-A900 WeakPolarHBondContact CG2-O 3.45Å; K670-A900 WeakPolarHBondContact CG-O 3.43Å; K670-A900 PolarHBondContact N-O 2.86Å | ||
| 901 | D | 27.3 | Very low | 27.2 | Very low | 44 Ų | 44 | 132.5 Ų | 132.5 | 24% | 0.235 | 71% | 0.711 | C | S | . | * | trans | 142.5 | 109.2 | 159.4 | -77.4 | 15.1 | 0 | 0 | 0 | 114.8 | H668 K670 | H668-D901 IonicContact CE1-OD2 2.72Å; H668-D901 IonicContact CG-OD2 3.98Å; H668-D901 IonicContact ND1-OD2 3.95Å; H668-D901 PolarHBondContact ND1-OD2 3.36Å; K670-D901 HydrophobicContact CB-CB 4.49Å; K670-D901 WeakPolarHBondContact CE-O 3.3Å; K670-D901 HydrophobicContact CG-CB 3.98Å; K670-D901 PolarHBondContact NZ-O 3.13Å | ||
| 902 | D | 26.8 | Very low | 27.1 | Very low | 126 Ų | 126 | 132 Ų | 132 | 67% | 0.674 | 71% | 0.713 | S | S | * | * | trans | 58.1 | 132.9 | 135.9 | -69.8 | 8.4 | 0 | 0 | 0 | 128.4 | ||||
| 903 | I | 27.9 | Very low | 27.6 | Very low | 150 Ų | 150 | 127 Ų | 127 | 77% | 0.769 | 71% | 0.708 | S | S | * | * | trans | 59.2 | 115.6 | 134.5 | -57.1 | 166.1 | 0 | 0 | 0 | 122 | ||||
| 904 | C | 25.4 | Very low | 27.6 | Very low | 125 Ų | 125 | 126.7 Ų | 126.7 | 85% | 0.845 | 70% | 0.704 | S | S | * | * | -159.5 | -172.6 | 123.6 | -151.5 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 905 | L | 23.6 | Very low | 27.7 | Very low | 144 Ų | 144 | 130 Ų | 130 | 75% | 0.754 | 71% | 0.705 | S | S | * | * | trans | -120.6 | 172.1 | -153.1 | -81.2 | 157.4 | 0 | 0 | 0 | 116.8 | ||||
| 906 | T | 26.5 | Very low | 27.6 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 74% | 0.736 | 71% | 0.705 | S | S | * | * | trans | 79.2 | 93.8 | 148.1 | 41.5 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 907 | S | 26 | Very low | 27.6 | Very low | 97 Ų | 97 | 130.5 Ų | 130.5 | 68% | 0.678 | 70% | 0.7 | S | S | * | * | 79 | 145.4 | 110 | 80.9 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 908 | R | 26.4 | Very low | 27.6 | Very low | 229 Ų | 229 | 125.1 Ų | 125.1 | 86% | 0.864 | 69% | 0.694 | S | S | * | * | trans | 72.4 | 145.9 | 150.5 | -78.1 | -177.6 | 174.7 | -173 | -1.4 | 119.1 | ||||
| 909 | T | 28.7 | Very low | 27.7 | Very low | 107 Ų | 107 | 127.4 Ų | 127.4 | 66% | 0.656 | 70% | 0.701 | S | S | * | * | cis | -165.2 | 157.4 | -19.2 | 10.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 910 | N | 26.9 | Very low | 27.7 | Very low | 130 Ų | 130 | 129.1 Ų | 129.1 | 70% | 0.695 | 71% | 0.711 | S | S | * | * | trans | 60.2 | 124.1 | 152.7 | -59.1 | -4.3 | 0 | 0 | 0 | 121.2 | ||||
| 911 | H | 31.8 | Very low | 28.2 | Very low | 179 Ų | 179 | 132 Ų | 132 | 83% | 0.829 | 73% | 0.725 | S | S | * | * | -174.3 | 156 | 94.9 | -102.4 | -80.7 | 0 | 0 | 0 | 112.4 | |||||
| 912 | T | 27.3 | Very low | 28.3 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | -125.7 | 158.9 | 172.1 | 55.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 913 | P | 35.3 | Very low | 28.2 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | -155.1 | 148.6 | 99.2 | 36 | -16 | 0 | 0 | 0 | 118.6 | |||||
| 914 | I | 29 | Very low | 28.2 | Very low | 149 Ų | 149 | 137 Ų | 137 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | trans | 50.8 | 125.1 | 130.7 | -45.1 | 166.6 | 0 | 0 | 0 | 118.9 | ||||
| 915 | H | 30.9 | Very low | 28.4 | Very low | 158 Ų | 158 | 136.8 Ų | 136.8 | 73% | 0.731 | 75% | 0.75 | S | S | * | * | -164.1 | 176.6 | 76.1 | -126.1 | -83 | 0 | 0 | 0 | 115.1 | |||||
| 916 | E | 27.6 | Very low | 28.5 | Very low | 159 Ų | 159 | 136.3 Ų | 136.3 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | trans | -44.2 | 174.4 | 175.2 | -68.3 | 163.5 | 143.6 | 0 | 0 | 120 | ||||
| 917 | S | 26 | Very low | 28.8 | Very low | 94 Ų | 94 | 135.7 Ų | 135.7 | 66% | 0.657 | 75% | 0.751 | S | S | * | * | cis | -174.7 | 159.1 | -31.2 | 71.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 918 | T | 25.2 | Very low | 29 | Very low | 126 Ų | 126 | 137.8 Ų | 137.8 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | 74.4 | 151.7 | 149.4 | -34.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 919 | I | 29.9 | Very low | 29.1 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | trans | 94.7 | 139.6 | 165.4 | -50.8 | -175.1 | 0 | 0 | 0 | 117.7 | ||||
| 920 | T | 26.1 | Very low | 29.4 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | trans | -142.4 | -171.6 | -169.3 | 52.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 921 | P | 37.3 | Very low | 29.4 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | -127.2 | 175.7 | -74.2 | 40.5 | -25.3 | 0 | 0 | 0 | 113.3 | |||||
| 922 | A | 29.2 | Very low | 29.1 | Very low | 98 Ų | 98 | 137.8 Ų | 137.8 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | 172.2 | 128.9 | 140.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 923 | S | 25.8 | Very low | 29.1 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | 45.9 | 110.6 | 131.6 | -159 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 924 | R | 27.8 | Very low | 28.6 | Very low | 218 Ų | 218 | 139.5 Ų | 139.5 | 82% | 0.823 | 78% | 0.779 | S | S | * | * | -178 | 141.4 | 101.5 | -103.4 | -167.1 | 152.7 | 116.3 | 2.1 | 116.1 | |||||
| 925 | D | 28.8 | Very low | 28.3 | Very low | 121 Ų | 121 | 137 Ų | 137 | 65% | 0.647 | 78% | 0.78 | S | S | * | * | trans | 46.3 | 113.8 | 139.5 | -47.9 | -23.6 | 0 | 0 | 0 | 123.2 | ||||
| 926 | T | 25.4 | Very low | 28.2 | Very low | 133 Ų | 133 | 135.5 Ų | 135.5 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | trans | 4.3 | 164.8 | 143.2 | 60.3 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 927 | P | 33 | Very low | 27.8 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | cis | -139.1 | 170.8 | 10.4 | 41.3 | -23.8 | 0 | 0 | 0 | 117.6 | ||||
| 928 | T | 31 | Very low | 27.9 | Very low | 141 Ų | 141 | 134.6 Ų | 134.6 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | trans | 169.2 | 166 | 131 | 32.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 929 | T | 28.5 | Very low | 27.8 | Very low | 137 Ų | 137 | 137.1 Ų | 137.1 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | -127.3 | 178.9 | -175.7 | 58.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 930 | P | 33.6 | Very low | 27.5 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | cis | -128.9 | 173.3 | -6.7 | 41.1 | -27.1 | 0 | 0 | 0 | 114.4 | ||||
| 931 | N | 28.6 | Very low | 27.5 | Very low | 164 Ų | 164 | 143.2 Ų | 143.2 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | -153.2 | 139.7 | 141.9 | -128.3 | -24.7 | 0 | 0 | 0 | 110.9 | ||||
| 932 | R | 25.8 | Very low | 27.1 | Very low | 232 Ų | 232 | 143.3 Ų | 143.3 | 88% | 0.875 | 79% | 0.794 | S | S | * | * | trans | -106.3 | 117.5 | -177.5 | -88.9 | -174.6 | 171.7 | -177.1 | -1.9 | 111 | ||||
| 933 | S | 26.7 | Very low | 26.9 | Very low | 115 Ų | 115 | 145.9 Ų | 145.9 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -141.5 | 109.9 | 161.9 | -56.3 | 0 | 0 | 0 | 0 | 108 | A935 | S933-A935 PolarHBondContact O-N 2.8Š| ||
| 934 | I | 25.2 | Very low | 27.2 | Very low | 155 Ų | 155 | 148.4 Ų | 148.4 | 80% | 0.795 | 80% | 0.798 | S | S | * | * | trans | -86.9 | 105.1 | -177.6 | -62.2 | 177.7 | 0 | 0 | 0 | 108.5 | V936 | I934-V936 HydrophobicContact CG2-CG2 3.95Š| ||
| 935 | A | 22.5 | Very low | 27.3 | Very low | 96 Ų | 96 | 144.8 Ų | 144.8 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | trans | -121 | 111.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | S933 G937 | S933-A935 PolarHBondContact O-N 2.8Å; A935-G937 PolarHBondContact O-N 2.79Å | ||
| 936 | V | 27.4 | Very low | 27.2 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 76% | 0.764 | 81% | 0.806 | S | S | * | * | trans | -92.1 | 86.2 | -178.4 | -176.6 | 0 | 0 | 0 | 0 | 109.6 | I934 I938 | I934-V936 HydrophobicContact CG2-CG2 3.95Å; V936-I938 HydrophobicContact CG1-CG1 4.49Å | ||
| 937 | G | 21.1 | Very low | 27.2 | Very low | 70 Ų | 70 | 148 Ų | 148 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | trans | -89.5 | 123 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | A935 | A935-G937 PolarHBondContact O-N 2.79Š| ||
| 938 | I | 26.7 | Very low | 27 | Very low | 164 Ų | 164 | 148.3 Ų | 148.3 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | trans | -92.8 | 111.4 | 171.6 | -59.6 | 177.9 | 0 | 0 | 0 | 108.6 | V936 | V936-I938 HydrophobicContact CG1-CG1 4.49Š| ||
| 939 | M | 23 | Very low | 26.8 | Very low | 179 Ų | 179 | 152.6 Ų | 152.6 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | trans | -104 | 155.9 | 167.5 | -74.2 | -141.9 | -56.2 | 0 | 0 | 111.7 | ||||
| 940 | H | 24.3 | Very low | 26.6 | Very low | 165 Ų | 165 | 153.9 Ų | 153.9 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | trans | -53.3 | 145.7 | 173.6 | -92.2 | -102.7 | 0 | 0 | 0 | 113.8 | D942 | H940-D942 IonicContact ND1-OD1 3.52Å; H940-D942 PolarHBondContact ND1-OD1 3.24Å | ||
| 941 | R | 26.9 | Very low | 26.2 | Very low | 246 Ų | 246 | 155.9 Ų | 155.9 | 93% | 0.928 | 80% | 0.803 | S | S | * | * | trans | -139.3 | 151.7 | 134.3 | -106.8 | -176.9 | 175.2 | -174.9 | -2.7 | 109.1 | ||||
| 942 | D | 28 | Very low | 26 | Very low | 120 Ų | 120 | 153.5 Ų | 153.5 | 64% | 0.642 | 80% | 0.795 | S | S | * | * | trans | -103.4 | 155.1 | -168.7 | -49.3 | -61.5 | 0 | 0 | 0 | 112.1 | H940 | H940-D942 IonicContact ND1-OD1 3.52Å; H940-D942 PolarHBondContact ND1-OD1 3.24Å | ||
| 943 | D | 25.5 | Very low | 26 | Very low | 152 Ų | 152 | 147.1 Ų | 147.1 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | 38.5 | 115.2 | 158.8 | -55.3 | -19.6 | 0 | 0 | 0 | 120.8 | ||||
| 944 | I | 32.6 | Very low | 26 | Very low | 163 Ų | 163 | 146.1 Ų | 146.1 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | -165 | 125.5 | 117.6 | -93.4 | 151.6 | 0 | 0 | 0 | 110.2 | |||||
| 945 | D | 28.4 | Very low | 26.1 | Very low | 142 Ų | 142 | 146.6 Ų | 146.6 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | 14.2 | 126.3 | 160.9 | -48.8 | -33.4 | 0 | 0 | 0 | 124.2 | ||||
| 946 | D | 27.2 | Very low | 26.3 | Very low | 164 Ų | 164 | 150.5 Ų | 150.5 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | trans | 75.7 | 154.4 | 138.6 | -83.7 | -30.7 | 0 | 0 | 0 | 125.7 | ||||
| 947 | E | 25.8 | Very low | 26.3 | Very low | 157 Ų | 157 | 148.8 Ų | 148.8 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | trans | 66.5 | 108.8 | 176.6 | -89.3 | -62.2 | 125.5 | 0 | 0 | 120.2 | R949 | E947-R949 PolarHBondContact O-N 3.4Å; E947-R949 VanDerWaalsContact O-N 3.1Å | ||
| 948 | P | 27.5 | Very low | 26.5 | Very low | 114 Ų | 114 | 154 Ų | 154 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | trans | -83.2 | 85.8 | 179.4 | 35 | -34.4 | 0 | 0 | 0 | 112.4 | H950 | P948-H950 PolarHBondContact O-N 3.22Š| ||
| 949 | R | 27.3 | Very low | 26.5 | Very low | 231 Ų | 231 | 149.5 Ų | 149.5 | 87% | 0.872 | 75% | 0.748 | S | S | * | * | trans | -58.3 | 134.5 | 174.8 | -72.9 | -168.7 | 175.9 | -153.8 | -0.7 | 112.7 | E947 I951 | E947-R949 PolarHBondContact O-N 3.4Å; E947-R949 VanDerWaalsContact O-N 3.1Å; R949-I951 PolarHBondContact O-N 3.25Å | ||
| 950 | H | 24.7 | Very low | 26.7 | Very low | 165 Ų | 165 | 148.3 Ų | 148.3 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | trans | -57 | 114.8 | 175.2 | -81.9 | -110.4 | 0 | 0 | 0 | 112.3 | P948 T952 | P948-H950 PolarHBondContact O-N 3.22Å; H950-T952 HydrophobicContact CB-CG2 4.5Å; H950-T952 PolarHBondContact O-N 3.36Å | ||
| 951 | I | 25.6 | Very low | 26.8 | Very low | 153 Ų | 153 | 143.2 Ų | 143.2 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | -92.4 | 81.9 | 159.5 | -55.8 | -179.7 | 0 | 0 | 0 | 107.7 | R949 | R949-I951 PolarHBondContact O-N 3.25Š| ||
| 952 | T | 24 | Very low | 27.1 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 70% | 0.699 | 71% | 0.706 | S | S | * | * | trans | -116.1 | 66.3 | 170.9 | 51.9 | 0 | 0 | 0 | 0 | 109.1 | H950 | H950-T952 HydrophobicContact CB-CG2 4.5Å; H950-T952 PolarHBondContact O-N 3.36Å | ||
| 953 | T | 25.5 | Very low | 27.2 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 61% | 0.607 | 71% | 0.711 | S | S | * | * | trans | -134 | 140.4 | -175.3 | 48.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 954 | D | 27.4 | Very low | 27.4 | Very low | 93 Ų | 93 | 137.3 Ų | 137.3 | 50% | 0.497 | 71% | 0.708 | S | S | . | * | trans | 65.7 | 51.6 | 156.6 | -51.3 | -46.9 | 0 | 0 | 0 | 120.2 | T957 | D954-T957 WeakPolarHBondContact OD1-CB 3.13Å; D954-T957 PolarHBondContact OD1-OG1 2.99Å | ||
| 955 | I | 27.8 | Very low | 27.4 | Very low | 166 Ų | 166 | 137.8 Ų | 137.8 | 85% | 0.851 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -91.2 | -27.7 | 145.9 | -73.2 | 167.4 | 0 | 0 | 0 | 111.6 | ||
| 956 | Q | 26.5 | Very low | 27.5 | Very low | 178 Ų | 178 | 135 Ų | 135 | 83% | 0.832 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -77.4 | -23.9 | -177.7 | -69.6 | -177.8 | -55.9 | 0 | 0 | 113.9 | ||
| 957 | T | 26.2 | Very low | 27.4 | Very low | 89 Ų | 89 | 129.9 Ų | 129.9 | 55% | 0.546 | 68% | 0.676 | S | S | . | * | G | 310 helix | trans | -83.3 | -24.5 | -167.6 | -44.2 | 0 | 0 | 0 | 0 | 113.5 | D954 | D954-T957 WeakPolarHBondContact OD1-CB 3.13Å; D954-T957 PolarHBondContact OD1-OG1 2.99Å |
| 958 | Y | 26.5 | Very low | 27.4 | Very low | 181 Ų | 181 | 127.2 Ų | 127.2 | 71% | 0.71 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -81.4 | -7.9 | 178.8 | -86.9 | -81.1 | 0 | 0 | 0 | 115 | L960 | Y958-L960 PolarHBondContact O-N 3.34Š|
| 959 | A | 26.4 | Very low | 27.4 | Very low | 69 Ų | 69 | 125.6 Ų | 125.6 | 57% | 0.57 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -71.2 | -10.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 960 | L | 26.7 | Very low | 27.5 | Very low | 154 Ų | 154 | 120 Ų | 120 | 81% | 0.806 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -106.1 | -7.4 | -168.5 | -66 | 175.6 | 0 | 0 | 0 | 115.6 | Y958 | Y958-L960 PolarHBondContact O-N 3.34Š|
| 961 | S | 26.8 | Very low | 27.9 | Very low | 57 Ų | 57 | 117.9 Ų | 117.9 | 40% | 0.399 | 64% | 0.644 | S | S | . | * | S | Bend | trans | -100.8 | -1.3 | 177.9 | 65.9 | 0 | 0 | 0 | 0 | 115.1 | N963 E964 | S961-N963 PolarHBondContact O-N 3.04Å; S961-E964 PolarHBondContact O-N 3.43Å; S961-E964 VanDerWaalsContact O-N 3.07Å |
| 962 | L | 32.2 | Very low | 28.2 | Very low | 92 Ų | 92 | 113.9 Ų | 113.9 | 48% | 0.482 | 62% | 0.624 | S | S | . | * | G | 310 helix | trans | -60.8 | -19.6 | -176.4 | -80.4 | 167.7 | 0 | 0 | 0 | 114.6 | E964 F965 | L962-E964 VanDerWaalsContact C-N 3.26Å; L962-E964 PolarHBondContact O-N 3.39Å; L962-F965 PolarHBondContact O-N 3.24Å |
| 963 | N | 30.1 | Very low | 28.8 | Very low | 139 Ų | 139 | 114.1 Ų | 114.1 | 74% | 0.743 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -67.5 | -21.9 | 175.8 | -76 | -17.8 | 0 | 0 | 0 | 113.8 | S961 F965 | S961-N963 PolarHBondContact O-N 3.04Å; N963-F965 VanDerWaalsContact C-N 3.33Å |
| 964 | E | 29.8 | Very low | 28.9 | Very low | 164 Ų | 164 | 113.4 Ų | 113.4 | 77% | 0.766 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -79.4 | -16.1 | 179.2 | -61.8 | -172.3 | 142.8 | 0 | 0 | 112.7 | S961 L962 N966 | S961-E964 PolarHBondContact O-N 3.43Å; S961-E964 VanDerWaalsContact O-N 3.07Å; L962-E964 VanDerWaalsContact C-N 3.26Å; L962-E964 PolarHBondContact O-N 3.39Å; E964-N966 PolarHBondContact O-N 3.04Å |
| 965 | F | 32.9 | Very low | 29.1 | Very low | 172 Ų | 172 | 113 Ų | 113 | 75% | 0.754 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -77.2 | 0.3 | -179.3 | -110.1 | -84.4 | 0 | 0 | 0 | 115.1 | L962 N963 G967 | L962-F965 PolarHBondContact O-N 3.24Å; N963-F965 VanDerWaalsContact C-N 3.33Å; F965-G967 PolarHBondContact O-N 3.36Å; F965-G967 VanDerWaalsContact O-N 3.12Å |
| 966 | N | 30.5 | Very low | 29.2 | Very low | 83 Ų | 83 | 108.7 Ų | 108.7 | 44% | 0.444 | 60% | 0.603 | S | S | . | * | G | 310 helix | trans | -70.2 | 2.6 | 172.7 | -76.1 | -37.5 | 0 | 0 | 0 | 114 | E964 | E964-N966 PolarHBondContact O-N 3.04Š|
| 967 | G | 25.2 | Very low | 29.3 | Very low | 57 Ų | 57 | 106.5 Ų | 106.5 | 59% | 0.588 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -95.9 | 5.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | F965 | F965-G967 PolarHBondContact O-N 3.36Å; F965-G967 VanDerWaalsContact O-N 3.12Å |
| 968 | S | 25.3 | Very low | 29.6 | Very low | 101 Ų | 101 | 103.1 Ų | 103.1 | 71% | 0.706 | 58% | 0.582 | S | S | * | * | trans | -145.3 | 83.3 | -173 | -73.1 | 0 | 0 | 0 | 0 | 114.8 | N970 | S968-N970 PolarHBondContact O-N 2.91Š| ||
| 969 | T | 27.4 | Very low | 29.9 | Very low | 81 Ų | 81 | 101.3 Ų | 101.3 | 50% | 0.497 | 58% | 0.583 | S | S | . | * | trans | -81.1 | 68.3 | -177.7 | 41.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 970 | N | 31.1 | Very low | 30.2 | Very low | 114 Ų | 114 | 100.9 Ų | 100.9 | 61% | 0.61 | 57% | 0.571 | S | S | * | * | trans | -136.2 | 23.9 | -177.9 | -95.5 | -31.5 | 0 | 0 | 0 | 116.8 | R873 S968 | R873-N970 PolarHBondContact NH2-OD1 2.67Å; S968-N970 PolarHBondContact O-N 2.91Å | ||
| 971 | L | 31.8 | Very low | 30.2 | Very low | 120 Ų | 120 | 96.5 Ų | 96.5 | 63% | 0.628 | 55% | 0.553 | S | S | * | * | trans | -107.9 | 92 | 167 | -64.4 | 178.6 | 0 | 0 | 0 | 110.9 | R840 | R840-L971 PolarHBondContact NH2-O 2.83Š| ||
| 972 | L | 33.2 | Very low | 30.4 | Very low | 69 Ų | 69 | 97.9 Ų | 97.9 | 36% | 0.361 | 56% | 0.562 | S | S | . | * | trans | -52.8 | 149.4 | 160.1 | -68.5 | 126.8 | 0 | 0 | 0 | 109.5 | R840 F869 P974 | R840-L972 PolarHBondContact NH2-O 3.32Å; F869-L972 HydrophobicContact CB-CD2 3.62Å; L972-P974 WeakPolarHBondContact O-CD 3.28Å; L972-P974 VanDerWaalsContact O-N 3.16Å | ||
| 973 | R | 36.1 | Very low | 30.4 | Very low | 118 Ų | 118 | 96 Ų | 96 | 45% | 0.445 | 56% | 0.557 | S | S | . | * | trans | -66.6 | 104.1 | 166.5 | 176.6 | 176 | 174.4 | -165.9 | -8.4 | 107.5 | E821 D825 | E821-R973 IonicContact OE1-CZ 3.45Å; E821-R973 VanDerWaalsContact OE1-CZ 3.23Å; E821-R973 IonicContact OE1-NH1 3.78Å; E821-R973 PolarHBondContact OE1-NH1 2.88Å; E821-R973 IonicContact OE1-NH2 3.48Å; E821-R973 PolarHBondContact OE1-NH2 3Å; D825-R973 IonicContact OD2-CZ 3.64Å; D825-R973 IonicContact OD2-NH1 2.75Å; D825-R973 PolarHBondContact OD2-NH1 2.95Å | ||
| 974 | P | 28.3 | Very low | 30.4 | Very low | 84 Ų | 84 | 93.7 Ų | 93.7 | 55% | 0.545 | 54% | 0.544 | S | S | . | . | trans | -72.1 | 151.2 | 172.2 | 3.5 | 16.4 | 0 | 0 | 0 | 107.1 | L972 S976 | L972-P974 WeakPolarHBondContact O-CD 3.28Å; L972-P974 VanDerWaalsContact O-N 3.16Å; P974-S976 WeakPolarHBondContact CB-OG 3.34Å; P974-S976 PolarHBondContact O-N 2.93Å | ||
| 975 | A | 29.9 | Very low | 30.3 | Very low | 86 Ų | 86 | 95 Ų | 95 | 71% | 0.711 | 54% | 0.543 | S | S | * | . | trans | -75 | 57.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | T977 | A975-T977 VanDerWaalsContact C-N 3.28Å; A975-T977 PolarHBondContact O-N 2.83Å | ||
| 976 | S | 30.7 | Very low | 30.2 | Very low | 74 Ų | 74 | 90.9 Ų | 90.9 | 52% | 0.517 | 53% | 0.532 | S | S | . | . | trans | -69 | 87.7 | 177.6 | -72.5 | 0 | 0 | 0 | 0 | 109.3 | P974 S978 | P974-S976 WeakPolarHBondContact CB-OG 3.34Å; P974-S976 PolarHBondContact O-N 2.93Å; S976-S978 PolarHBondContact O-N 3.29Å | ||
| 977 | T | 28.7 | Very low | 30 | Very low | 133 Ų | 133 | 88.6 Ų | 88.6 | 82% | 0.816 | 52% | 0.522 | S | S | * | . | trans | -64.4 | 69.5 | 144.1 | 53.3 | 0 | 0 | 0 | 0 | 107.8 | A975 I979 | A975-T977 VanDerWaalsContact C-N 3.28Å; A975-T977 PolarHBondContact O-N 2.83Å; T977-I979 PolarHBondContact O-N 2.88Å | ||
| 978 | S | 32 | Very low | 30 | Very low | 17 Ų | 17 | 90.8 Ų | 90.8 | 12% | 0.119 | 53% | 0.525 | C | S | . | . | trans | -58.9 | 134.3 | 174.3 | 152.7 | 0 | 0 | 0 | 0 | 108 | E851 S976 I980 S981 S982 | E851-S978 WeakPolarHBondContact OE1-CB 3.26Å; E851-S978 PolarHBondContact OE1-OG 3.18Å; S976-S978 PolarHBondContact O-N 3.29Å; S978-I980 PolarHBondContact O-N 3.3Å; S978-I980 VanDerWaalsContact O-N 3.11Å; S978-I980 PolarHBondContact OG-N 2.83Å; S978-I980 VanDerWaalsContact OG-N 3.16Å; S978-S981 WeakPolarHBondContact O-CA 3.48Å; S978-S981 WeakPolarHBondContact CB-OG 3.11Å; S978-S981 PolarHBondContact OG-N 3.49Å; S978-S981 PolarHBondContact O-N 3.07Å; S978-S982 PolarHBondContact O-N 2.87Å; S978-S982 PolarHBondContact O-OG 3.03Å | ||
| 979 | I | 34 | Very low | 30.2 | Very low | 144 Ų | 144 | 90 Ų | 90 | 74% | 0.738 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -24.1 | -179.8 | -59 | 173.9 | 0 | 0 | 0 | 110 | T977 S982 | T977-I979 PolarHBondContact O-N 2.88Å; I979-S982 WeakPolarHBondContact CA-OG 3.32Å; I979-S982 PolarHBondContact O-OG 3.12Å |
| 980 | I | 30.9 | Very low | 30.4 | Very low | 60 Ų | 60 | 88.9 Ų | 88.9 | 31% | 0.308 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -43.9 | 172.6 | -48.6 | -179.4 | 0 | 0 | 0 | 110.8 | L854 S978 S982 S983 | L854-I980 HydrophobicContact CD1-CD1 4.18Å; S978-I980 PolarHBondContact O-N 3.3Å; S978-I980 VanDerWaalsContact O-N 3.11Å; S978-I980 PolarHBondContact OG-N 2.83Å; S978-I980 VanDerWaalsContact OG-N 3.16Å; I980-S982 VanDerWaalsContact C-N 3.28Å; I980-S982 PolarHBondContact O-N 3.01Å; I980-S983 WeakPolarHBondContact O-CA 3.27Å; I980-S983 VanDerWaalsContact O-CB 3.28Å; I980-S983 WeakPolarHBondContact O-CB 3.48Å; I980-S983 PolarHBondContact O-N 3.1Å |
| 981 | S | 27.1 | Very low | 30.5 | Very low | 62 Ų | 62 | 88.8 Ų | 88.8 | 43% | 0.434 | 52% | 0.518 | S | S | . | . | G | 310 helix | trans | -60.5 | -32.2 | 176.1 | -59.9 | 0 | 0 | 0 | 0 | 113.7 | S978 S983 L984 | S978-S981 WeakPolarHBondContact O-CA 3.48Å; S978-S981 WeakPolarHBondContact CB-OG 3.11Å; S978-S981 PolarHBondContact OG-N 3.49Å; S978-S981 PolarHBondContact O-N 3.07Å; S981-S983 PolarHBondContact O-N 3.42Å; S981-L984 PolarHBondContact O-N 3.1Å |
| 982 | S | 31.7 | Very low | 30.4 | Very low | 85 Ų | 85 | 89.3 Ų | 89.3 | 59% | 0.594 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -63 | -15.7 | 170.7 | 38.3 | 0 | 0 | 0 | 0 | 114 | S978 I979 I980 | S978-S982 PolarHBondContact O-N 2.87Å; S978-S982 PolarHBondContact O-OG 3.03Å; I979-S982 WeakPolarHBondContact CA-OG 3.32Å; I979-S982 PolarHBondContact O-OG 3.12Å; I980-S982 VanDerWaalsContact C-N 3.28Å; I980-S982 PolarHBondContact O-N 3.01Å |
| 983 | S | 31.9 | Very low | 30.1 | Very low | 52 Ų | 52 | 90.9 Ų | 90.9 | 36% | 0.364 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -94.6 | 0.9 | 171.8 | -52 | 0 | 0 | 0 | 0 | 113.4 | I980 S981 | I980-S983 WeakPolarHBondContact O-CA 3.27Å; I980-S983 VanDerWaalsContact O-CB 3.28Å; I980-S983 WeakPolarHBondContact O-CB 3.48Å; I980-S983 PolarHBondContact O-N 3.1Å; S981-S983 PolarHBondContact O-N 3.42Å |
| 984 | L | 29.2 | Very low | 29.8 | Very low | 91 Ų | 91 | 92.4 Ų | 92.4 | 48% | 0.476 | 55% | 0.553 | S | S | . | * | trans | -128.7 | 33.3 | -167.3 | -136.1 | 152.5 | 0 | 0 | 0 | 112.3 | S981 V986 | S981-L984 PolarHBondContact O-N 3.1Å; L984-V986 HydrophobicContact CD2-CG2 4.42Å; L984-V986 PolarHBondContact O-N 3.15Å | ||
| 985 | Y | 29 | Very low | 29.7 | Very low | 192 Ų | 192 | 94.4 Ų | 94.4 | 75% | 0.753 | 56% | 0.564 | S | S | * | * | trans | -72.9 | 95 | 169.3 | -177.4 | -106 | 0 | 0 | 0 | 110.7 | P987 | Y985-P987 HydrophobicContact CD1-CB 4.47Å; Y985-P987 HydrophobicContact CE1-CB 3.66Å; Y985-P987 HydrophobicContact CE1-CG 4.11Å; Y985-P987 VanDerWaalsContact O-CD 3.3Å; Y985-P987 WeakPolarHBondContact O-CD 3.42Å | ||
| 986 | V | 31.4 | Very low | 29.6 | Very low | 85 Ų | 85 | 93.7 Ų | 93.7 | 52% | 0.515 | 57% | 0.565 | S | S | . | * | trans | -89.8 | 103.9 | 164.1 | -178.2 | 0 | 0 | 0 | 0 | 107.3 | L984 A990 | L984-V986 HydrophobicContact CD2-CG2 4.42Å; L984-V986 PolarHBondContact O-N 3.15Å; V986-A990 HydrophobicContact CG1-CB 3.89Å | ||
| 987 | P | 24.5 | Very low | 29.5 | Very low | 35 Ų | 35 | 101.7 Ų | 101.7 | 23% | 0.227 | 58% | 0.584 | C | S | . | * | trans | -64.3 | 151.4 | 175 | 26.3 | -32.9 | 0 | 0 | 0 | 109.9 | Y985 S989 A990 | Y985-P987 HydrophobicContact CD1-CB 4.47Å; Y985-P987 HydrophobicContact CE1-CB 3.66Å; Y985-P987 HydrophobicContact CE1-CG 4.11Å; Y985-P987 VanDerWaalsContact O-CD 3.3Å; Y985-P987 WeakPolarHBondContact O-CD 3.42Å; P987-S989 PolarHBondContact O-N 3.47Å; P987-A990 HydrophobicContact CG-CB 3.94Å; P987-A990 WeakPolarHBondContact O-CB 3.44Å; P987-A990 PolarHBondContact O-N 3.15Å | ||
| 988 | P | 27.1 | Very low | 29.6 | Very low | 103 Ų | 103 | 102.2 Ų | 102.2 | 67% | 0.669 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -54 | -28.7 | 178.2 | -28.8 | 36.1 | 0 | 0 | 0 | 114.2 | A990 L991 | P988-A990 VanDerWaalsContact C-N 3.33Å; P988-A990 PolarHBondContact O-N 2.78Å; P988-L991 PolarHBondContact O-N 2.85Å |
| 989 | S | 28 | Very low | 29.4 | Very low | 86 Ų | 86 | 108.9 Ų | 108.9 | 60% | 0.601 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -68.1 | -23.1 | 174.6 | 47.9 | 0 | 0 | 0 | 0 | 114.6 | P987 L991 I992 | P987-S989 PolarHBondContact O-N 3.47Å; S989-L991 VanDerWaalsContact C-N 3.27Å; S989-L991 PolarHBondContact O-N 2.59Å; S989-I992 PolarHBondContact O-N 2.71Å; S989-I992 VanDerWaalsContact O-N 3.16Å |
| 990 | A | 31.7 | Very low | 29.2 | Very low | 56 Ų | 56 | 109.1 Ų | 109.1 | 46% | 0.463 | 62% | 0.619 | S | S | . | * | G | 310 helix | trans | -75.6 | -13.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | V986 P987 P988 I992 | V986-A990 HydrophobicContact CG1-CB 3.89Å; P987-A990 HydrophobicContact CG-CB 3.94Å; P987-A990 WeakPolarHBondContact O-CB 3.44Å; P987-A990 PolarHBondContact O-N 3.15Å; P988-A990 VanDerWaalsContact C-N 3.33Å; P988-A990 PolarHBondContact O-N 2.78Å; A990-I992 VanDerWaalsContact C-N 3.34Å |
| 991 | L | 32.7 | Very low | 29.1 | Very low | 112 Ų | 112 | 111.3 Ų | 111.3 | 59% | 0.586 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -83.5 | -10.8 | 169.1 | -66.4 | 174.4 | 0 | 0 | 0 | 112.6 | P988 S989 S993 | P988-L991 PolarHBondContact O-N 2.85Å; S989-L991 VanDerWaalsContact C-N 3.27Å; S989-L991 PolarHBondContact O-N 2.59Å; L991-S993 PolarHBondContact O-N 2.61Å |
| 992 | I | 30.6 | Very low | 29 | Very low | 131 Ų | 131 | 115.9 Ų | 115.9 | 67% | 0.672 | 66% | 0.655 | S | S | * | * | trans | -103.9 | 65.5 | -173.7 | -47.7 | 177.9 | 0 | 0 | 0 | 110 | S989 A990 | S989-I992 PolarHBondContact O-N 2.71Å; S989-I992 VanDerWaalsContact O-N 3.16Å; A990-I992 VanDerWaalsContact C-N 3.34Å | ||
| 993 | S | 27.4 | Very low | 29 | Very low | 103 Ų | 103 | 118.8 Ų | 118.8 | 72% | 0.72 | 67% | 0.669 | S | S | * | * | trans | -148.7 | 34.6 | 173.5 | -171.1 | 0 | 0 | 0 | 0 | 113.7 | L991 | L991-S993 PolarHBondContact O-N 2.61Š| ||
| 994 | L | 29.3 | Very low | 28.6 | Very low | 149 Ų | 149 | 127.7 Ų | 127.7 | 78% | 0.78 | 70% | 0.695 | S | S | * | * | trans | -120.7 | 31.5 | 174.8 | -80.5 | 171.6 | 0 | 0 | 0 | 113.5 | ||||
| 995 | T | 26.6 | Very low | 28.7 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 77% | 0.773 | 71% | 0.714 | S | S | * | * | trans | -119.5 | 86.1 | 173.7 | 44.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 996 | G | 27.1 | Very low | 28.7 | Very low | 72 Ų | 72 | 124.8 Ų | 124.8 | 74% | 0.742 | 71% | 0.71 | S | S | * | * | trans | 160.9 | 48.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 997 | R | 27.6 | Very low | 28.6 | Very low | 242 Ų | 242 | 128.4 Ų | 128.4 | 91% | 0.913 | 73% | 0.727 | S | S | * | * | trans | -144.2 | 89.7 | 162 | -137.4 | 171.9 | -168.8 | 169.2 | 4.3 | 113 | N999 | R997-N999 PolarHBondContact O-N 3.04Š| ||
| 998 | N | 31.2 | Very low | 28.9 | Very low | 143 Ų | 143 | 131.8 Ų | 131.8 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | trans | -61.8 | 123.1 | -178.2 | -65 | -0.9 | 0 | 0 | 0 | 112 | N1000 | N998-N1000 PolarHBondContact O-N 2.84Š| ||
| 999 | N | 27.7 | Very low | 29.1 | Very low | 158 Ų | 158 | 135.6 Ų | 135.6 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | trans | -83.8 | 93.8 | 158.8 | -83.3 | -37.4 | 0 | 0 | 0 | 109 | R997 P1001 | R997-N999 PolarHBondContact O-N 3.04Å; N999-P1001 VanDerWaalsContact O-CD 3.3Å; N999-P1001 WeakPolarHBondContact O-CD 3.35Å | ||
| 1000 | N | 30.6 | Very low | 29 | Very low | 148 Ų | 148 | 142.2 Ų | 142.2 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | -102.8 | 101.6 | 166.8 | -96.1 | 13.7 | 0 | 0 | 0 | 110.2 | N998 | N998-N1000 PolarHBondContact O-N 2.84Š| ||
| 1001 | P | 28.5 | Very low | 29 | Very low | 106 Ų | 106 | 144.7 Ų | 144.7 | 69% | 0.688 | 78% | 0.781 | S | S | * | * | trans | -83.7 | 132.1 | 166 | 32.7 | -30.7 | 0 | 0 | 0 | 111 | N999 | N999-P1001 VanDerWaalsContact O-CD 3.3Å; N999-P1001 WeakPolarHBondContact O-CD 3.35Å | ||
| 1002 | I | 25.5 | Very low | 28.8 | Very low | 158 Ų | 158 | 144 Ų | 144 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | 68.2 | 106.6 | 158.4 | -51.8 | 163.9 | 0 | 0 | 0 | 116.7 | ||||
| 1003 | T | 30.6 | Very low | 28.8 | Very low | 146 Ų | 146 | 145.2 Ų | 145.2 | 90% | 0.896 | 79% | 0.792 | S | S | * | * | -152.2 | 152.2 | 116.7 | 6.4 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 1004 | R | 24.3 | Very low | 28.7 | Very low | 239 Ų | 239 | 144.8 Ų | 144.8 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | trans | -112.1 | 137.1 | 176.2 | -77.3 | 178.1 | 171.3 | 170.8 | -4.4 | 109.8 | ||||
| 1005 | S | 30.5 | Very low | 28.9 | Very low | 125 Ų | 125 | 145.1 Ų | 145.1 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -144.9 | 150.9 | 136.8 | 56.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1006 | S | 28.9 | Very low | 28.9 | Very low | 98 Ų | 98 | 143.9 Ų | 143.9 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | trans | -165.6 | 126.4 | -167.4 | 56.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1007 | D | 30.2 | Very low | 28.9 | Very low | 161 Ų | 161 | 151.9 Ų | 151.9 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | -164.3 | 145.2 | 177.2 | -90.4 | -29.4 | 0 | 0 | 0 | 108.6 | ||||
| 1008 | V | 31.6 | Very low | 29 | Very low | 106 Ų | 106 | 146.9 Ų | 146.9 | 64% | 0.642 | 80% | 0.799 | S | S | * | * | cis | -147.8 | 131.7 | -25.8 | 163.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 1009 | Q | 29.6 | Very low | 28.9 | Very low | 183 Ų | 183 | 151.6 Ų | 151.6 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | -168.1 | 123.6 | 123.1 | -102.9 | -175.4 | 31 | 0 | 0 | 113.4 | |||||
| 1010 | R | 27.3 | Very low | 29.2 | Very low | 225 Ų | 225 | 149.3 Ų | 149.3 | 85% | 0.849 | 80% | 0.8 | S | S | * | * | trans | 8 | 141.4 | 144.2 | -58.2 | 178.1 | -178.8 | -164.6 | -1.4 | 117.3 | ||||
| 1011 | S | 30.9 | Very low | 29.1 | Very low | 108 Ų | 108 | 148.8 Ų | 148.8 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | cis | 177.8 | 159.6 | 6 | 39.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1012 | S | 28.6 | Very low | 29 | Very low | 96 Ų | 96 | 148.8 Ų | 148.8 | 67% | 0.671 | 81% | 0.805 | S | S | * | * | cis | -174.4 | 163.5 | -11.3 | 49.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1013 | L | 30.5 | Very low | 29 | Very low | 157 Ų | 157 | 148.7 Ų | 148.7 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | 66.8 | 131 | -172.9 | -68.5 | 77.4 | 0 | 0 | 0 | 113.2 | ||||
| 1014 | S | 25.7 | Very low | 28.9 | Very low | 95 Ų | 95 | 151.2 Ų | 151.2 | 66% | 0.664 | 81% | 0.807 | S | S | * | * | cis | 92.3 | 93.5 | 27.1 | 82.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1015 | T | 32.7 | Very low | 29.1 | Very low | 156 Ų | 156 | 146 Ų | 146 | 96% | 0.957 | 80% | 0.797 | S | S | * | * | trans | -170.5 | 174.3 | 131.4 | 16.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1016 | S | 28 | Very low | 28.8 | Very low | 100 Ų | 100 | 146.1 Ų | 146.1 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | trans | -123.7 | 147.5 | -157.3 | 59.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1017 | R | 26.3 | Very low | 28.8 | Very low | 240 Ų | 240 | 149.8 Ų | 149.8 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | trans | 64.2 | 148.4 | 168.1 | -59.3 | 174.2 | 169.3 | -179 | -4 | 114.2 | ||||
| 1018 | T | 29.8 | Very low | 28.8 | Very low | 136 Ų | 136 | 147.8 Ų | 147.8 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | cis | -133.6 | -175.8 | 21 | 44.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 1019 | R | 28.4 | Very low | 28.6 | Very low | 242 Ų | 242 | 150.5 Ų | 150.5 | 91% | 0.913 | 79% | 0.788 | S | S | * | * | trans | -82.4 | 158.2 | 175.3 | -121.4 | -167.5 | 160 | -175.5 | -6 | 111.8 | ||||
| 1020 | P | 35.4 | Very low | 28.5 | Very low | 111 Ų | 111 | 152.4 Ų | 152.4 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | trans | -113.3 | 169.1 | -160.5 | 42.2 | -35.7 | 0 | 0 | 0 | 116.2 | ||||
| 1021 | T | 27.8 | Very low | 28.8 | Very low | 136 Ų | 136 | 149.4 Ų | 149.4 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | -146.3 | 135.6 | 151.4 | 22.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1022 | S | 26.3 | Very low | 28.6 | Very low | 107 Ų | 107 | 152.9 Ų | 152.9 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | 17.8 | 103.5 | 154.5 | 58.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1023 | L | 24.9 | Very low | 28.7 | Very low | 156 Ų | 156 | 154.4 Ų | 154.4 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | 170.6 | 127.8 | 122.2 | -98.6 | 158.7 | 0 | 0 | 0 | 109.4 | |||||
| 1024 | Q | 28.4 | Very low | 28.8 | Very low | 199 Ų | 199 | 155.6 Ų | 155.6 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | trans | -115.7 | 109.4 | 170.6 | -157.5 | 153.8 | 27.8 | 0 | 0 | 110.1 | ||||
| 1025 | N | 28.7 | Very low | 28.9 | Very low | 129 Ų | 129 | 158.8 Ų | 158.8 | 69% | 0.69 | 81% | 0.808 | S | S | * | * | trans | -79.8 | 140.5 | -171.8 | -90.1 | -42.3 | 0 | 0 | 0 | 112.4 | ||||
| 1026 | L | 25.4 | Very low | 28.8 | Very low | 127 Ų | 127 | 158.4 Ų | 158.4 | 67% | 0.665 | 80% | 0.798 | S | S | * | * | 44.3 | 104.9 | 122.2 | -154.6 | 80.6 | 0 | 0 | 0 | 117.4 | H1028 | L1026-H1028 WeakPolarHBondContact CD2-ND1 3.49Š| |||
| 1027 | I | 28.9 | Very low | 29 | Very low | 175 Ų | 175 | 160.2 Ų | 160.2 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | -98.1 | 123.7 | 146.7 | -66.6 | -179.3 | 0 | 0 | 0 | 107.3 | ||||
| 1028 | H | 30.1 | Very low | 29.3 | Very low | 120 Ų | 120 | 154.7 Ų | 154.7 | 56% | 0.556 | 79% | 0.788 | S | S | * | * | trans | -91.1 | 135.6 | -177.9 | -128.9 | 69.4 | 0 | 0 | 0 | 111.4 | L1026 | L1026-H1028 WeakPolarHBondContact CD2-ND1 3.49Š| ||
| 1029 | Q | 26.3 | Very low | 29.4 | Very low | 162 Ų | 162 | 157.2 Ų | 157.2 | 76% | 0.757 | 79% | 0.79 | S | S | * | * | trans | 23.4 | 134.1 | 149.9 | -59.2 | 178.3 | -3.9 | 0 | 0 | 120.2 | ||||
| 1030 | R | 27.9 | Very low | 29.4 | Very low | 223 Ų | 223 | 150.9 Ų | 150.9 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | trans | -148.4 | 126.1 | 131 | -113.2 | -167.5 | 166 | 128.4 | 3.7 | 114.8 | ||||
| 1031 | H | 33.5 | Very low | 29.2 | Very low | 163 Ų | 163 | 151.8 Ų | 151.8 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | 60.1 | 137.9 | 158.2 | -62.2 | -64.2 | 0 | 0 | 0 | 122.9 | ||||
| 1032 | Q | 26.8 | Very low | 29.4 | Very low | 181 Ų | 181 | 151.2 Ų | 151.2 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -90.2 | 160.3 | 163.8 | -53.6 | 153.2 | -39.1 | 0 | 0 | 109.6 | ||||
| 1033 | S | 30.9 | Very low | 29.6 | Very low | 127 Ų | 127 | 151.7 Ų | 151.7 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | -167.8 | 156.9 | 131.7 | -85.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1034 | Q | 31.8 | Very low | 29.7 | Very low | 183 Ų | 183 | 151.5 Ų | 151.5 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | -78.7 | 163.9 | -154.3 | -62.4 | 167 | -14.2 | 0 | 0 | 117.3 | ||||
| 1035 | L | 28.1 | Very low | 29.7 | Very low | 162 Ų | 162 | 148.4 Ų | 148.4 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | trans | -7.7 | 162.3 | 138.4 | -57.6 | 159.7 | 0 | 0 | 0 | 117.4 | ||||
| 1036 | I | 31.5 | Very low | 29.7 | Very low | 147 Ų | 147 | 145.2 Ų | 145.2 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | cis | -156.6 | 147.4 | 44 | -65.3 | 165.9 | 0 | 0 | 0 | 110.7 | ||||
| 1037 | D | 31.1 | Very low | 30 | Very low | 138 Ų | 138 | 145.3 Ų | 145.3 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | 172.8 | 151.6 | 140.9 | -106.4 | 15.1 | 0 | 0 | 0 | 111.3 | ||||
| 1038 | N | 32.9 | Very low | 30 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 67% | 0.668 | 77% | 0.771 | S | S | * | * | cis | -150.1 | -169.3 | -8.6 | -144.9 | -46.9 | 0 | 0 | 0 | 111 | ||||
| 1039 | Q | 32.6 | Very low | 30 | Very low | 188 Ų | 188 | 143 Ų | 143 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | trans | -100.3 | 176.6 | -156.1 | -62.4 | -171.9 | 8.2 | 0 | 0 | 120.4 | ||||
| 1040 | S | 27.4 | Very low | 30.4 | Very low | 109 Ų | 109 | 142.2 Ų | 142.2 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -83.8 | 167.5 | -165.2 | -35.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1041 | T | 31.5 | Very low | 30.7 | Very low | 131 Ų | 131 | 136 Ų | 136 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -164.6 | 122.9 | 147.6 | 2.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1042 | T | 31.6 | Very low | 30.6 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | 51.2 | 133.5 | 77.4 | 3.3 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1043 | T | 31.4 | Very low | 31 | Very low | 118 Ų | 118 | 130.1 Ų | 130.1 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | cis | -149.7 | 171.1 | 23.8 | 31.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1044 | M | 27.1 | Very low | 31.1 | Very low | 152 Ų | 152 | 130.1 Ų | 130.1 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | cis | 71.7 | 131 | 42.7 | -48.1 | -71.6 | 89.9 | 0 | 0 | 114.5 | ||||
| 1045 | T | 28.4 | Very low | 31.3 | Very low | 134 Ų | 134 | 126 Ų | 126 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | cis | -167 | 155.2 | -1.3 | 7.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1046 | G | 28.9 | Very low | 31.6 | Very low | 62 Ų | 62 | 124 Ų | 124 | 64% | 0.639 | 77% | 0.766 | S | S | * | * | trans | 107.5 | 158.2 | 159.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1047 | T | 30.7 | Very low | 31.7 | Very low | 128 Ų | 128 | 121.4 Ų | 121.4 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | cis | 174.9 | 122.4 | -17.5 | 24.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1048 | T | 29.4 | Very low | 31.8 | Very low | 125 Ų | 125 | 121 Ų | 121 | 77% | 0.767 | 76% | 0.764 | S | S | * | * | trans | 51.2 | 149.6 | 145.5 | 55.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1049 | T | 31.3 | Very low | 31.8 | Very low | 123 Ų | 123 | 120.6 Ų | 120.6 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | cis | -172.2 | 157.2 | 5.1 | 11.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1050 | T | 33.6 | Very low | 31.6 | Very low | 144 Ų | 144 | 117.3 Ų | 117.3 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | trans | -177.3 | 155 | 141.4 | 25.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1051 | A | 34.1 | Very low | 32.4 | Very low | 94 Ų | 94 | 117.9 Ų | 117.9 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | cis | -168.7 | 112.2 | -41.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1052 | A | 32.2 | Very low | 32.4 | Very low | 88 Ų | 88 | 116.7 Ų | 116.7 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | 167.8 | 119.4 | 156.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1053 | T | 34 | Very low | 32.3 | Very low | 131 Ų | 131 | 118.8 Ų | 118.8 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | cis | 70.1 | 125.1 | 48.8 | 72.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1054 | T | 34.7 | Very low | 32.1 | Very low | 127 Ų | 127 | 121 Ų | 121 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | cis | -152.9 | 165.3 | 23.5 | 44.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1055 | S | 34.3 | Very low | 32.2 | Very low | 98 Ų | 98 | 120.8 Ų | 120.8 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | cis | 179.8 | 140.9 | -29.2 | 56 | 0 | 0 | 0 | 0 | 112 | ||||
| 1056 | S | 34.2 | Very low | 32.2 | Very low | 119 Ų | 119 | 124.7 Ų | 124.7 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | 68.9 | 157.4 | 157.3 | 78.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1057 | S | 34 | Very low | 32.1 | Very low | 92 Ų | 92 | 131.4 Ų | 131.4 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | cis | -153.9 | 157.4 | 11.6 | 60.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1058 | T | 34 | Very low | 31.9 | Very low | 131 Ų | 131 | 132.2 Ų | 132.2 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 59.2 | 141.3 | 152.7 | 48.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1059 | S | 32.8 | Very low | 31.8 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | cis | -157.6 | 167.6 | -3.3 | 45.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 1060 | S | 29.2 | Very low | 31.5 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | trans | -101.8 | 171.9 | -158.2 | -57.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1061 | P | 43.2 | Very low | 31.3 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | trans | -118.1 | -153 | -161.8 | 45.4 | -35.1 | 0 | 0 | 0 | 115.4 | ||||
| 1062 | S | 30.8 | Very low | 31.1 | Very low | 107 Ų | 107 | 132.5 Ų | 132.5 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | 97.3 | 154.8 | 170.9 | 86.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 1063 | H | 29.5 | Very low | 30.9 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | cis | -160.2 | 170.3 | -3.5 | -132.6 | -45.9 | 0 | 0 | 0 | 111.5 | ||||
| 1064 | F | 28.5 | Very low | 30.9 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | trans | 89.8 | 121.4 | 146.7 | -105.7 | -108.9 | 0 | 0 | 0 | 124.1 | ||||
| 1065 | N | 29.6 | Very low | 30.9 | Very low | 147 Ų | 147 | 138.4 Ų | 138.4 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | trans | 80.7 | 170.9 | 141.7 | -90.9 | 3.5 | 0 | 0 | 0 | 124.3 | ||||
| 1066 | R | 26.8 | Very low | 30.9 | Very low | 217 Ų | 217 | 140.3 Ų | 140.3 | 82% | 0.819 | 79% | 0.794 | S | S | * | * | trans | -155.5 | 137 | -140.3 | 169.6 | -160.8 | -165.5 | -177.4 | 7.3 | 110.3 | ||||
| 1067 | F | 27 | Very low | 30.7 | Very low | 203 Ų | 203 | 138.9 Ų | 138.9 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | -164.7 | -170.3 | 142.1 | -115.1 | -71.9 | 0 | 0 | 0 | 111.8 | ||||
| 1068 | L | 27.1 | Very low | 30.6 | Very low | 144 Ų | 144 | 140.8 Ų | 140.8 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | trans | -127.6 | 153.7 | -156.8 | -88.2 | 167.7 | 0 | 0 | 0 | 114.3 | ||||
| 1069 | V | 26.3 | Very low | 30.5 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 71% | 0.709 | 79% | 0.787 | S | S | * | * | trans | 63.4 | 123.6 | 151.7 | 172.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1070 | T | 26.6 | Very low | 30.5 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | trans | -143.4 | 147.5 | 131 | 40.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1071 | T | 29.5 | Very low | 30.7 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | -134.3 | 124.6 | 174.6 | 50 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1072 | A | 28.5 | Very low | 30.3 | Very low | 98 Ų | 98 | 140.7 Ų | 140.7 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -171.5 | 153.7 | 171 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1073 | S | 27.8 | Very low | 30.5 | Very low | 108 Ų | 108 | 140.9 Ų | 140.9 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | cis | -170.3 | 151.1 | -19.9 | 47.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1074 | W | 33.7 | Very low | 30.7 | Very low | 251 Ų | 251 | 138.6 Ų | 138.6 | 95% | 0.951 | 78% | 0.776 | S | S | * | * | trans | -81.7 | 164.5 | 169.3 | -69.8 | 27.4 | 0 | 0 | 0 | 111.6 | ||||
| 1075 | P | 36.6 | Very low | 31.2 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | -153.8 | 151.3 | 128.8 | 36.2 | -17.7 | 0 | 0 | 0 | 118.8 | |||||
| 1076 | V | 33.3 | Very low | 31.5 | Very low | 137 Ų | 137 | 134.9 Ų | 134.9 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | trans | 74 | 139.1 | 134.4 | 162.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1077 | S | 30 | Very low | 31.9 | Very low | 90 Ų | 90 | 131 Ų | 131 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | cis | -171.6 | -177 | -13.7 | 64.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1078 | T | 32.2 | Very low | 32.3 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | 77.6 | 136.7 | 172.9 | 71.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1079 | S | 32.1 | Very low | 32.7 | Very low | 101 Ų | 101 | 126.2 Ų | 126.2 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | cis | -161.4 | -170.9 | -12.6 | 53.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1080 | F | 32.1 | Very low | 33 | Very low | 182 Ų | 182 | 125 Ų | 125 | 80% | 0.798 | 76% | 0.763 | S | S | * | * | cis | -164.6 | 148.9 | 4.5 | -139.6 | -61.8 | 0 | 0 | 0 | 109.6 | ||||
| 1081 | S | 33.3 | Very low | 33 | Very low | 100 Ų | 100 | 123.8 Ų | 123.8 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | trans | 54.4 | 144.5 | 155.9 | 46.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1082 | S | 34.1 | Very low | 33.1 | Very low | 102 Ų | 102 | 123.1 Ų | 123.1 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | cis | -173.6 | 150.1 | -11.4 | 49 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1083 | S | 35.3 | Very low | 33.1 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | 74.2 | 144.2 | 151.3 | 81.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1084 | T | 35.1 | Very low | 33.2 | Very low | 119 Ų | 119 | 125.2 Ų | 125.2 | 73% | 0.73 | 74% | 0.743 | S | S | * | * | cis | -158.2 | 149 | -0.3 | -17.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1085 | S | 37.6 | Very low | 33 | Very low | 94 Ų | 94 | 119.1 Ų | 119.1 | 66% | 0.657 | 73% | 0.734 | S | S | * | * | trans | 49 | 144.2 | 146.8 | 55.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1086 | N | 37.1 | Very low | 32.7 | Very low | 139 Ų | 139 | 119.7 Ų | 119.7 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | cis | -161.5 | 142 | 2.1 | -105.9 | -8.5 | 0 | 0 | 0 | 111.9 | ||||
| 1087 | N | 35.6 | Very low | 32.7 | Very low | 137 Ų | 137 | 120.1 Ų | 120.1 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | 34.3 | 150 | 128.5 | -71.3 | -7.1 | 0 | 0 | 0 | 122.9 | |||||
| 1088 | T | 35 | Very low | 32.6 | Very low | 115 Ų | 115 | 122 Ų | 122 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | cis | -158.8 | 148.5 | 19.8 | -3.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1089 | T | 34.2 | Very low | 32.7 | Very low | 131 Ų | 131 | 122 Ų | 122 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | 24.6 | 155.5 | 142.8 | 18.7 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1090 | A | 32.5 | Very low | 32.6 | Very low | 91 Ų | 91 | 123.1 Ų | 123.1 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | cis | -151.5 | 162.9 | 15.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1091 | T | 28.2 | Very low | 32.5 | Very low | 118 Ų | 118 | 120.5 Ų | 120.5 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | trans | -78 | 167.8 | 169.6 | -11.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1092 | T | 30.6 | Very low | 32.4 | Very low | 119 Ų | 119 | 121.3 Ų | 121.3 | 73% | 0.73 | 75% | 0.749 | S | S | * | * | -173.8 | 132.4 | 81.7 | -51.4 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 1093 | T | 28.9 | Very low | 32.2 | Very low | 109 Ų | 109 | 125 Ų | 125 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | 58.9 | 149.6 | 71.9 | -4.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1094 | I | 30.3 | Very low | 31.8 | Very low | 141 Ų | 141 | 127.1 Ų | 127.1 | 72% | 0.723 | 76% | 0.758 | S | S | * | * | cis | -152.3 | 163.4 | 11.6 | -31.5 | 158.6 | 0 | 0 | 0 | 111.2 | ||||
| 1095 | T | 29.8 | Very low | 32 | Very low | 124 Ų | 124 | 126 Ų | 126 | 76% | 0.761 | 75% | 0.752 | S | S | * | * | trans | 91.6 | 165.6 | 144.7 | 14.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 1096 | T | 28.7 | Very low | 31.5 | Very low | 123 Ų | 123 | 128.1 Ų | 128.1 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | trans | -134 | 154.4 | -153.6 | 52.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1097 | T | 33.6 | Very low | 30.9 | Very low | 146 Ų | 146 | 131.3 Ų | 131.3 | 90% | 0.896 | 76% | 0.758 | S | S | * | * | trans | -139.1 | 164 | 156.1 | 36.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1098 | T | 28.5 | Very low | 30.5 | Very low | 130 Ų | 130 | 133.5 Ų | 133.5 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | trans | -132.4 | 134.1 | -168.3 | 50.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1099 | T | 33.8 | Very low | 30.3 | Very low | 131 Ų | 131 | 133 Ų | 133 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -150.8 | 113.8 | 162.3 | 37.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1100 | T | 30.7 | Very low | 30.1 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | 83.5 | 72.5 | 64.3 | 63.6 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1101 | T | 30.7 | Very low | 29.8 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | trans | -158.2 | 129 | 145 | 32.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1102 | T | 29.5 | Very low | 29.6 | Very low | 118 Ų | 118 | 138.4 Ų | 138.4 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | cis | 64.1 | 118.1 | 48.7 | 68.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1103 | Q | 30.1 | Very low | 29.4 | Very low | 179 Ų | 179 | 140.4 Ų | 140.4 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | cis | -144 | 156.2 | -2.4 | -82 | 157 | 8.8 | 0 | 0 | 107.5 | ||||
| 1104 | N | 26.9 | Very low | 29.1 | Very low | 155 Ų | 155 | 139.7 Ų | 139.7 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | 75.6 | 155.3 | 57.6 | -113.5 | 8.4 | 0 | 0 | 0 | 115 | |||||
| 1105 | P | 40.3 | Very low | 28.9 | Very low | 95 Ų | 95 | 139.3 Ų | 139.3 | 62% | 0.617 | 77% | 0.772 | S | S | * | * | -139.4 | -165 | -118.4 | 41.8 | -21.2 | 0 | 0 | 0 | 117.2 | |||||
| 1106 | N | 25.6 | Very low | 28.6 | Very low | 138 Ų | 138 | 139.5 Ų | 139.5 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | trans | 94.7 | 120.7 | 154.8 | -78.3 | -37.2 | 0 | 0 | 0 | 122.4 | ||||
| 1107 | R | 24.6 | Very low | 28.6 | Very low | 207 Ų | 207 | 138.7 Ų | 138.7 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | trans | 66.9 | 154.6 | 155.2 | -55.7 | 178 | 179.3 | -173.4 | -1.6 | 116.3 | ||||
| 1108 | F | 27.6 | Very low | 28.2 | Very low | 182 Ų | 182 | 137.1 Ų | 137.1 | 80% | 0.798 | 77% | 0.767 | S | S | * | * | cis | -134.1 | 164.5 | 10.5 | -95.5 | -86.2 | 0 | 0 | 0 | 112.6 | ||||
| 1109 | S | 30.1 | Very low | 28.2 | Very low | 106 Ų | 106 | 139.1 Ų | 139.1 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | -75.7 | 176.8 | 161.6 | -36.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1110 | P | 32.1 | Very low | 27.9 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | cis | -147.4 | -158.7 | 25.9 | 45.3 | -23.5 | 0 | 0 | 0 | 116.4 | ||||
| 1111 | S | 25.5 | Very low | 27.6 | Very low | 112 Ų | 112 | 140.3 Ų | 140.3 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | trans | 108.1 | 127.3 | 171.6 | -50 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1112 | R | 22.7 | Very low | 27.5 | Very low | 224 Ų | 224 | 140.4 Ų | 140.4 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | cis | 99.5 | 78.8 | 27.6 | -166.7 | -168.5 | -171.5 | -166.2 | 5 | 113.5 | ||||
| 1113 | I | 26.8 | Very low | 27.3 | Very low | 160 Ų | 160 | 143.9 Ų | 143.9 | 82% | 0.821 | 78% | 0.782 | S | S | * | * | trans | -132.8 | 118.9 | 155.4 | -59.5 | 177 | 0 | 0 | 0 | 103.8 | ||||
| 1114 | T | 23.5 | Very low | 27.3 | Very low | 94 Ų | 94 | 139.1 Ų | 139.1 | 58% | 0.577 | 77% | 0.773 | S | S | * | * | cis | 73.8 | 68.6 | 35 | -41.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1115 | V | 26.1 | Very low | 27.3 | Very low | 134 Ų | 134 | 136.6 Ų | 136.6 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | trans | -112 | 107.8 | 155.9 | 178.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1116 | T | 23.1 | Very low | 26.8 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | trans | -105.1 | 116 | 175.1 | 47 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1117 | S | 29.1 | Very low | 26.8 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | -135.6 | 97.1 | 165.6 | 59.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1118 | S | 24.1 | Very low | 27.2 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | -29.9 | 126.2 | 174.7 | 50.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 1119 | L | 28.6 | Very low | 27.4 | Very low | 173 Ų | 173 | 129.3 Ų | 129.3 | 91% | 0.906 | 76% | 0.761 | S | S | * | * | trans | -140 | 147.3 | 132.1 | -108.3 | 162.7 | 0 | 0 | 0 | 108.1 | ||||
| 1120 | T | 28.6 | Very low | 27.4 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 72% | 0.724 | 75% | 0.746 | S | S | * | * | trans | -95 | 156.9 | -152.9 | 41.8 | 0 | 0 | 0 | 0 | 114.8 | T1122 | T1120-T1122 PolarHBondContact O-N 3.07Š| ||
| 1121 | N | 24 | Very low | 27.4 | Very low | 161 Ų | 161 | 126.3 Ų | 126.3 | 86% | 0.861 | 74% | 0.74 | S | S | * | * | trans | -51 | 124.4 | 169.9 | -73.4 | -21.8 | 0 | 0 | 0 | 111.8 | ||||
| 1122 | T | 28.2 | Very low | 27.5 | Very low | 129 Ų | 129 | 123.7 Ų | 123.7 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | trans | -125.5 | 125.9 | 151.5 | 50.1 | 0 | 0 | 0 | 0 | 108.4 | T1120 A1124 | T1120-T1122 PolarHBondContact O-N 3.07Å; T1122-A1124 PolarHBondContact O-N 2.96Å; T1122-A1124 VanDerWaalsContact O-N 3.09Å | ||
| 1123 | H | 25.9 | Very low | 27.7 | Very low | 192 Ų | 192 | 120.6 Ų | 120.6 | 89% | 0.889 | 72% | 0.724 | S | S | * | * | trans | -72.9 | 99.7 | 173.7 | -94.7 | -91.1 | 0 | 0 | 0 | 109.1 | ||||
| 1124 | A | 28.7 | Very low | 27.5 | Very low | 78 Ų | 78 | 121.5 Ų | 121.5 | 65% | 0.645 | 72% | 0.722 | S | S | * | * | trans | -70.6 | 133.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | T1122 T1126 | T1122-A1124 PolarHBondContact O-N 2.96Å; T1122-A1124 VanDerWaalsContact O-N 3.09Å; A1124-T1126 PolarHBondContact O-N 2.98Å | ||
| 1125 | P | 27.9 | Very low | 27.8 | Very low | 102 Ų | 102 | 120.7 Ų | 120.7 | 66% | 0.662 | 71% | 0.712 | S | S | * | * | trans | -71 | 117.3 | -175.4 | 27.1 | -33.7 | 0 | 0 | 0 | 111.5 | G1127 L1130 | P1125-G1127 PolarHBondContact O-N 2.86Å; P1125-L1130 HydrophobicContact CG-CD1 3.9Å | ||
| 1126 | T | 29.1 | Very low | 27.8 | Very low | 153 Ų | 153 | 117.7 Ų | 117.7 | 94% | 0.939 | 70% | 0.695 | S | S | * | * | trans | -78 | 82.4 | 176.1 | 50.9 | 0 | 0 | 0 | 0 | 111 | A1124 | A1124-T1126 PolarHBondContact O-N 2.98Š| ||
| 1127 | G | 27 | Very low | 28.1 | Very low | 42 Ų | 42 | 117 Ų | 117 | 43% | 0.433 | 69% | 0.685 | S | S | . | * | trans | -137.7 | 148.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P1125 E1129 | P1125-G1127 PolarHBondContact O-N 2.86Å; G1127-E1129 PolarHBondContact O-N 3.27Å | ||
| 1128 | P | 32.3 | Very low | 28 | Very low | 104 Ų | 104 | 119.5 Ų | 119.5 | 68% | 0.675 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -72.4 | -12.7 | -175.7 | 29.6 | -35.4 | 0 | 0 | 0 | 114.4 | L1130 | P1128-L1130 VanDerWaalsContact C-N 3.33Å; P1128-L1130 PolarHBondContact O-N 2.99Å |
| 1129 | E | 31.2 | Very low | 28.1 | Very low | 171 Ų | 171 | 124.2 Ų | 124.2 | 80% | 0.799 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -73.3 | -20.2 | -171.8 | -64.4 | 171.3 | 177.5 | 0 | 0 | 113.7 | G1127 A1131 | G1127-E1129 PolarHBondContact O-N 3.27Å; E1129-A1131 VanDerWaalsContact C-N 3.3Å; E1129-A1131 PolarHBondContact O-N 3.36Å |
| 1130 | L | 31.2 | Very low | 28 | Very low | 83 Ų | 83 | 122.6 Ų | 122.6 | 44% | 0.435 | 69% | 0.687 | S | S | . | * | G | 310 helix | trans | -82 | -0.8 | 179.8 | -74.2 | 171.9 | 0 | 0 | 0 | 114.6 | P1125 P1128 G1132 F1133 | P1125-L1130 HydrophobicContact CG-CD1 3.9Å; P1128-L1130 VanDerWaalsContact C-N 3.33Å; P1128-L1130 PolarHBondContact O-N 2.99Å; L1130-G1132 PolarHBondContact O-N 3.31Å; L1130-F1133 PolarHBondContact O-N 3.04Å |
| 1131 | A | 32.6 | Very low | 27.9 | Very low | 76 Ų | 76 | 123.6 Ų | 123.6 | 63% | 0.628 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -65.4 | -15.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | E1129 | E1129-A1131 VanDerWaalsContact C-N 3.3Å; E1129-A1131 PolarHBondContact O-N 3.36Å |
| 1132 | G | 27 | Very low | 28.1 | Very low | 58 Ų | 58 | 121.7 Ų | 121.7 | 60% | 0.598 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -99.7 | -6.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | L1130 | L1130-G1132 PolarHBondContact O-N 3.31Š|
| 1133 | F | 25.9 | Very low | 28.1 | Very low | 159 Ų | 159 | 121.3 Ų | 121.3 | 70% | 0.697 | 71% | 0.709 | S | S | * | * | trans | -111 | 8.8 | -158.1 | -84.4 | -73.3 | 0 | 0 | 0 | 117.5 | L1130 | L1130-F1133 PolarHBondContact O-N 3.04Š| ||
| 1134 | F | 24 | Very low | 28.2 | Very low | 179 Ų | 179 | 117.4 Ų | 117.4 | 79% | 0.785 | 70% | 0.699 | S | S | * | * | trans | -116.4 | 90.1 | 179.1 | -75 | -80.5 | 0 | 0 | 0 | 112.5 | ||||
| 1135 | H | 29.3 | Very low | 28.2 | Very low | 77 Ų | 77 | 119.7 Ų | 119.7 | 36% | 0.356 | 70% | 0.702 | S | S | . | * | trans | -95.9 | 120.1 | 175 | -147.1 | -88.8 | 0 | 0 | 0 | 110.9 | I1137 | H1135-I1137 PolarHBondContact O-N 2.66Š| ||
| 1136 | P | 26.7 | Very low | 28.2 | Very low | 70 Ų | 70 | 120.8 Ų | 120.8 | 46% | 0.455 | 71% | 0.705 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.5 | 75.8 | -168.5 | 34 | -37 | 0 | 0 | 0 | 113.2 | I220 | I220-P1136 HydrophobicContact CD1-CG 4.49Å; I220-P1136 HydrophobicContact CG2-CG 3.9Å |
| 1137 | I | 29.4 | Very low | 28.2 | Very low | 112 Ų | 112 | 118.7 Ų | 118.7 | 57% | 0.574 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.4 | -11.3 | 166 | -64.6 | -178.1 | 0 | 0 | 0 | 112.1 | H1135 F1139 | H1135-I1137 PolarHBondContact O-N 2.66Å; I1137-F1139 PolarHBondContact O-N 3.45Å |
| 1138 | L | 25.5 | Very low | 28.3 | Very low | 161 Ų | 161 | 124.1 Ų | 124.1 | 84% | 0.843 | 71% | 0.708 | S | S | * | * | trans | -73.5 | 28 | -178.2 | -76.1 | 167.2 | 0 | 0 | 0 | 115.7 | ||||
| 1139 | F | 27.1 | Very low | 27.9 | Very low | 210 Ų | 210 | 125.7 Ų | 125.7 | 92% | 0.921 | 71% | 0.71 | S | S | * | * | trans | -133.2 | 72.4 | 172.3 | -81.6 | -80.2 | 0 | 0 | 0 | 110.8 | I1137 | I1137-F1139 PolarHBondContact O-N 3.45Š| ||
| 1140 | I | 25.8 | Very low | 27.7 | Very low | 140 Ų | 140 | 121.9 Ų | 121.9 | 72% | 0.718 | 70% | 0.703 | S | S | * | * | trans | -116.9 | 116.4 | 159.1 | -58.8 | 177.7 | 0 | 0 | 0 | 106.2 | ||||
| 1141 | G | 27.5 | Very low | 27.4 | Very low | 138 Ų | 138 | 125.5 Ų | 125.5 | 100% | 1.423 | 73% | 0.727 | S | S | * | * | trans | -175.1 | 0 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 |
Retrieved 1,141 of 1,141 residues in 221.8 ms
(Link to these results)