| 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 | 29.1 | Very low | 48.5 | Very low | 222 Ų | 222 | 100.1 Ų | 100.1 | 100% | 1.094 | 55% | 0.545 | S | S | * | . | 0 | -60.4 | 0 | -66.7 | -164.3 | -169.6 | 0 | 0 | 112.9 | A3 S4 | M1-A3 VanDerWaalsContact C-N 3.28Å; M1-A3 PolarHBondContact O-N 2.79Å; M1-S4 WeakPolarHBondContact O-CB 3.23Å; M1-S4 PolarHBondContact O-N 2.94Å | |||
| 2 | A | 24.2 | Very low | 50 | Low | 77 Ų | 77 | 94.5 Ų | 94.5 | 64% | 0.636 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -48.8 | -37.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | S4 M5 | A2-S4 PolarHBondContact O-N 3.2Å; A2-M5 PolarHBondContact O-N 2.83Å; A2-M5 VanDerWaalsContact O-N 3.12Å |
| 3 | A | 28.4 | Very low | 51.1 | Low | 81 Ų | 81 | 98.8 Ų | 98.8 | 67% | 0.669 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -57.2 | -34.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | M1 M5 R6 | M1-A3 VanDerWaalsContact C-N 3.28Å; M1-A3 PolarHBondContact O-N 2.79Å; A3-M5 PolarHBondContact O-N 3.03Å; A3-M5 VanDerWaalsContact O-N 3.16Å; A3-R6 PolarHBondContact O-N 3.32Å |
| 4 | S | 35.7 | Very low | 52.1 | Low | 104 Ų | 104 | 95.8 Ų | 95.8 | 73% | 0.727 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -70.9 | -6.1 | 179.7 | -170.7 | 0 | 0 | 0 | 0 | 114 | M1 A2 | M1-S4 WeakPolarHBondContact O-CB 3.23Å; M1-S4 PolarHBondContact O-N 2.94Å; A2-S4 PolarHBondContact O-N 3.2Å |
| 5 | M | 39.3 | Very low | 53.1 | Low | 174 Ų | 174 | 93.9 Ų | 93.9 | 86% | 0.857 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -103.2 | -2.8 | 175.1 | -60.9 | -171.2 | 75.7 | 0 | 0 | 113.2 | A2 A3 | A2-M5 PolarHBondContact O-N 2.83Å; A2-M5 VanDerWaalsContact O-N 3.12Å; A3-M5 PolarHBondContact O-N 3.03Å; A3-M5 VanDerWaalsContact O-N 3.16Å |
| 6 | R | 51.7 | Low | 54.3 | Low | 165 Ų | 165 | 98 Ų | 98 | 62% | 0.623 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -41.6 | 176.9 | -66.6 | -171.7 | 179.4 | -172.8 | -2.5 | 113 | A3 A8 A45 | A3-R6 PolarHBondContact O-N 3.32Å; R6-A8 PolarHBondContact O-N 2.97Å; R6-A8 VanDerWaalsContact O-N 3.09Å; R6-A45 WeakPolarHBondContact O-CA 3.49Å |
| 7 | R | 62.3 | Low | 55.7 | Low | 147 Ų | 147 | 93.5 Ų | 93.5 | 56% | 0.555 | 49% | 0.492 | S | S | * | . | trans | -67.3 | 109 | -178.9 | -171.4 | -176.7 | -102.3 | -155.3 | -13.1 | 110.2 | D11 A45 | R7-D11 IonicContact CZ-OD2 2.71Å; R7-D11 IonicContact NH1-OD2 2.73Å; R7-D11 PolarHBondContact NH1-OD2 3.44Å; R7-D11 IonicContact NH2-OD2 3.23Å; R7-D11 PolarHBondContact NH2-OD2 2.98Å; R7-A45 CarbonylContact C-O 3.52Å; R7-A45 WeakPolarHBondContact CA-O 3.48Å | ||
| 8 | A | 65.4 | Low | 56.9 | Low | 42 Ų | 42 | 89.4 Ų | 89.4 | 35% | 0.347 | 47% | 0.472 | S | S | . | . | trans | -109 | -16.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R6 A45 F47 A117 | R6-A8 PolarHBondContact O-N 2.97Å; R6-A8 VanDerWaalsContact O-N 3.09Å; A8-A45 HydrophobicContact CB-CB 4.32Å; A8-A45 PolarHBondContact N-O 3.28Å; A8-F47 HydrophobicContact CB-CE2 4.25Å; A8-A117 HydrophobicContact CB-CB 3.73Å | ||
| 9 | A | 67.4 | Low | 57.8 | Low | 11 Ų | 11 | 89.5 Ų | 89.5 | 9% | 0.091 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -79.6 | 151.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A45 G46 F47 | A9-A45 WeakPolarHBondContact CB-O 3.48Å; A9-A45 PolarHBondContact N-O 3.37Å; A9-G46 VanDerWaalsContact CB-O 3.29Å; A9-G46 WeakPolarHBondContact CB-O 3.44Å; A9-F47 HydrophobicContact CB-CB 4.4Å; A9-F47 HydrophobicContact CB-CD1 3.55Å; A9-F47 HydrophobicContact CB-CD2 4.02Å; A9-F47 HydrophobicContact CB-CE1 3.67Å; A9-F47 HydrophobicContact CB-CE2 4.13Å; A9-F47 HydrophobicContact CB-CG 3.72Å; A9-F47 HydrophobicContact CB-CZ 3.95Å |
| 10 | H | 64.1 | Low | 58.4 | Low | 30 Ų | 30 | 85.8 Ų | 85.8 | 14% | 0.139 | 45% | 0.45 | C | S | . | . | trans | -76.4 | 136.6 | 167.4 | -69.7 | -65.9 | 0 | 0 | 0 | 110.2 | I12 E341 F368 | H10-I12 PolarHBondContact O-N 2.89Å; H10-I12 VanDerWaalsContact O-N 3.1Å; H10-E341 IonicContact CE1-OE1 2.62Å; H10-E341 IonicContact CG-OE1 3.65Å; H10-E341 IonicContact ND1-OE1 2.68Å; H10-E341 PolarHBondContact ND1-OE1 3.17Å; H10-F368 HydrophobicContact CB-CB 4.12Å; H10-F368 HydrophobicContact CB-CD1 3.87Å; H10-F368 HydrophobicContact CB-CG 4.13Å; H10-F368 WeakPolarHBondContact CD2-CB 2.94Å; H10-F368 AromaticContact CD2-CG 3.78Å | ||
| 11 | D | 66.3 | Low | 59.1 | Low | 48 Ų | 48 | 82.1 Ų | 82.1 | 26% | 0.257 | 43% | 0.431 | S | S | . | . | trans | -72.7 | 103.5 | -179.1 | -162.7 | -50 | 0 | 0 | 0 | 111.1 | R7 E13 A14 R17 | R7-D11 IonicContact CZ-OD2 2.71Å; R7-D11 IonicContact NH1-OD2 2.73Å; R7-D11 PolarHBondContact NH1-OD2 3.44Å; R7-D11 IonicContact NH2-OD2 3.23Å; R7-D11 PolarHBondContact NH2-OD2 2.98Å; D11-E13 PolarHBondContact O-N 3.46Å; D11-A14 HydrophobicContact CB-CB 4Å; D11-A14 PolarHBondContact OD1-N 3.18Å; D11-R17 PolarHBondContact O-NH2 3.18Å | ||
| 12 | I | 66.6 | Low | 61.3 | Low | 33 Ų | 33 | 75.2 Ų | 75.2 | 17% | 0.169 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -65.9 | -40.5 | -167 | -50.1 | -173 | 0 | 0 | 0 | 111.2 | H10 R15 R17 L22 K49 F368 | H10-I12 PolarHBondContact O-N 2.89Å; H10-I12 VanDerWaalsContact O-N 3.1Å; I12-R15 VanDerWaalsContact O-O 3.13Å; I12-R17 HydrophobicContact CG2-CG 4.24Å; I12-L22 HydrophobicContact CG2-CD2 4.13Å; I12-K49 HydrophobicContact CD1-CB 4.37Å; I12-F368 HydrophobicContact CD1-CE1 4.23Å; I12-F368 HydrophobicContact CG1-CE1 4.12Å |
| 13 | E | 63.8 | Low | 63.5 | Low | 150 Ų | 150 | 73.7 Ų | 73.7 | 70% | 0.701 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -30.1 | -172.4 | -57.7 | -174.3 | 151.7 | 0 | 0 | 112.2 | D11 R15 | D11-E13 PolarHBondContact O-N 3.46Å; E13-R15 PolarHBondContact O-N 3.47Å; E13-R15 VanDerWaalsContact O-N 3.09Å |
| 14 | A | 64.9 | Low | 65.2 | Low | 57 Ų | 57 | 72.4 Ų | 72.4 | 47% | 0.471 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -8.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | D11 | D11-A14 HydrophobicContact CB-CB 4Å; D11-A14 PolarHBondContact OD1-N 3.18Å |
| 15 | R | 67.5 | Low | 66.5 | Low | 67 Ų | 67 | 76.6 Ų | 76.6 | 25% | 0.253 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -150.5 | 150.8 | 175.3 | -66.2 | -169.1 | -165.2 | 137.2 | 19.4 | 112.1 | I12 E13 R17 W416 | I12-R15 VanDerWaalsContact O-O 3.13Å; E13-R15 PolarHBondContact O-N 3.47Å; E13-R15 VanDerWaalsContact O-N 3.09Å; R15-R17 WeakPolarHBondContact O-CD 3.41Å; R15-R17 WeakPolarHBondContact O-CG 3.46Å; R15-R17 PolarHBondContact O-N 2.91Å; R15-W416 VanDerWaalsContact NH2-NE1 3.18Å |
| 16 | K | 71.5 | Confident | 67.8 | Low | 160 Ų | 160 | 72 Ų | 72 | 70% | 0.696 | 37% | 0.373 | S | S | * | . | trans | -56.3 | 126.3 | 166.5 | -170.6 | 173.1 | -175.7 | 174.7 | 0 | 110.2 | ||||
| 17 | R | 79.2 | Confident | 69 | Low | 22 Ų | 22 | 66 Ų | 66 | 8% | 0.083 | 35% | 0.354 | C | S | . | . | trans | -109.7 | 158.5 | 179.4 | -54 | -50.9 | -173.7 | 138.6 | -14 | 111.8 | D11 I12 R15 L22 F368 G369 | D11-R17 PolarHBondContact O-NH2 3.18Å; I12-R17 HydrophobicContact CG2-CG 4.24Å; R15-R17 WeakPolarHBondContact O-CD 3.41Å; R15-R17 WeakPolarHBondContact O-CG 3.46Å; R15-R17 PolarHBondContact O-N 2.91Å; R17-L22 HydrophobicContact CB-CD1 4.11Å; R17-L22 HydrophobicContact CB-CD2 3.95Å; R17-L22 HydrophobicContact CB-CG 3.92Å; R17-L22 HydrophobicContact CG-CD2 4.4Å; R17-F368 PolarHBondContact NH1-O 3.47Å; R17-G369 CarbonylContact C-O 3.53Å; R17-G369 VanDerWaalsContact CA-O 3.31Å; R17-G369 WeakPolarHBondContact CA-O 3.19Å | ||
| 18 | T | 76 | Confident | 70.1 | Confident | 20 Ų | 20 | 62.8 Ų | 62.8 | 12% | 0.123 | 35% | 0.347 | C | S | . | . | trans | -81.1 | 153 | 175.5 | 56.2 | 0 | 0 | 0 | 0 | 112.8 | D20 V21 L22 K239 G369 | T18-D20 WeakPolarHBondContact CB-OD1 3.49Å; T18-D20 PolarHBondContact O-N 3.36Å; T18-D20 VanDerWaalsContact O-N 3.17Å; T18-D20 PolarHBondContact OG1-OD1 3.33Å; T18-V21 PolarHBondContact O-N 2.9Å; T18-V21 VanDerWaalsContact O-N 3.1Å; T18-L22 PolarHBondContact O-N 2.85Å; T18-K239 HydrophobicContact CG2-CB 3.93Å; T18-G369 PolarHBondContact N-O 3.32Å; T18-G369 VanDerWaalsContact N-O 3.11Å; T18-G369 WeakPolarHBondContact OG1-CA 3.3Å | ||
| 19 | E | 75 | Confident | 71 | Confident | 91 Ų | 91 | 61.1 Ų | 61.1 | 43% | 0.425 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -13.6 | -179.3 | 52.7 | 148 | -162.7 | 0 | 0 | 115.6 | V21 K239 R557 | E19-V21 VanDerWaalsContact C-N 3.33Å; E19-K239 HydrophobicContact CG-CD 4.19Å; E19-K239 WeakPolarHBondContact OE1-CE 3.43Å; E19-K239 IonicContact OE1-NZ 2.79Å; E19-K239 PolarHBondContact OE1-NZ 2.73Å; E19-R557 IonicContact OE1-NH1 3.77Å; E19-R557 IonicContact OE2-CZ 3.29Å; E19-R557 IonicContact OE2-NH1 3.14Å; E19-R557 PolarHBondContact OE2-NH1 3.17Å; E19-R557 IonicContact OE2-NH2 3.1Å; E19-R557 PolarHBondContact OE2-NH2 3.37Å |
| 20 | D | 70.2 | Confident | 71.6 | Confident | 15 Ų | 15 | 62.2 Ų | 62.2 | 8% | 0.08 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 1.6 | 174.8 | 60.7 | -24.7 | 0 | 0 | 0 | 113.6 | T18 K239 | T18-D20 WeakPolarHBondContact CB-OD1 3.49Å; T18-D20 PolarHBondContact O-N 3.36Å; T18-D20 VanDerWaalsContact O-N 3.17Å; T18-D20 PolarHBondContact OG1-OD1 3.33Å; D20-K239 HydrophobicContact CB-CD 4.35Å |
| 21 | V | 72.5 | Confident | 72.4 | Confident | 8 Ų | 8 | 64.1 Ų | 64.1 | 5% | 0.048 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | -26.1 | 175.7 | -178.9 | 0 | 0 | 0 | 0 | 112.2 | T18 E19 P52 F368 | T18-V21 PolarHBondContact O-N 2.9Å; T18-V21 VanDerWaalsContact O-N 3.1Å; E19-V21 VanDerWaalsContact C-N 3.33Å; V21-P52 WeakPolarHBondContact O-CD 3.27Å; V21-F368 HydrophobicContact CG1-CD1 3.55Å; V21-F368 HydrophobicContact CG1-CD2 3.77Å; V21-F368 HydrophobicContact CG1-CE1 3.43Å; V21-F368 VanDerWaalsContact CG1-CE1 3.43Å; V21-F368 HydrophobicContact CG1-CE2 3.66Å; V21-F368 HydrophobicContact CG1-CG 3.71Å; V21-F368 HydrophobicContact CG1-CZ 3.49Å; V21-F368 VanDerWaalsContact CG1-CZ 3.49Å |
| 22 | L | 75.7 | Confident | 73.1 | Confident | 78 Ų | 78 | 62.1 Ų | 62.1 | 41% | 0.408 | 35% | 0.35 | S | S | . | . | trans | -81.9 | 151.5 | 176.1 | -65.2 | 174.1 | 0 | 0 | 0 | 112.6 | I12 R17 T18 P52 | I12-L22 HydrophobicContact CG2-CD2 4.13Å; R17-L22 HydrophobicContact CB-CD1 4.11Å; R17-L22 HydrophobicContact CB-CD2 3.95Å; R17-L22 HydrophobicContact CB-CG 3.92Å; R17-L22 HydrophobicContact CG-CD2 4.4Å; T18-L22 PolarHBondContact O-N 2.85Å; L22-P52 WeakPolarHBondContact O-CG 3.33Å | ||
| 23 | L | 70.6 | Confident | 73.8 | Confident | 44 Ų | 44 | 64.9 Ų | 64.9 | 23% | 0.23 | 37% | 0.365 | C | S | . | . | trans | -108.1 | 170.4 | 168.4 | -76 | 177 | 0 | 0 | 0 | 110.8 | I27 P50 P52 L55 | L23-I27 HydrophobicContact CD1-CB 3.98Å; L23-I27 HydrophobicContact CD1-CD1 4.45Å; L23-I27 HydrophobicContact CD1-CG2 3.83Å; L23-P50 HydrophobicContact CD1-CG 3.93Å; L23-P50 WeakPolarHBondContact CD1-O 3.44Å; L23-P50 WeakPolarHBondContact CG-O 3.26Å; L23-P52 HydrophobicContact CD2-CB 4.26Å; L23-P52 HydrophobicContact CD2-CG 3.93Å; L23-P52 HydrophobicContact CG-CG 4.48Å; L23-L55 HydrophobicContact CD1-CB 4.37Å; L23-L55 HydrophobicContact CD1-CD2 3.88Å; L23-L55 HydrophobicContact CD2-CD2 3.68Å; L23-L55 HydrophobicContact CG-CD2 4.49Å | ||
| 24 | A | 63.3 | Low | 74.7 | Confident | 54 Ų | 54 | 58.3 Ų | 58.3 | 45% | 0.446 | 34% | 0.335 | S | S | . | . | trans | -60.9 | 157 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 25 | E | 63.4 | Low | 75.8 | Confident | 193 Ų | 193 | 58 Ų | 58 | 90% | 0.902 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 140.7 | -177.6 | -60.9 | -173.9 | 166.9 | 0 | 0 | 111.7 | ||
| 26 | G | 67 | Low | 76.9 | Confident | 77 Ų | 77 | 60.5 Ų | 60.5 | 79% | 0.794 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 106.2 | -14.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 27 | I | 76.6 | Confident | 77.8 | Confident | 40 Ų | 40 | 54.4 Ų | 54.4 | 21% | 0.205 | 32% | 0.323 | C | S | . | . | trans | -93 | 130.9 | -179.1 | -53 | 177.3 | 0 | 0 | 0 | 111.4 | L23 K49 P50 L55 | L23-I27 HydrophobicContact CD1-CB 3.98Å; L23-I27 HydrophobicContact CD1-CD1 4.45Å; L23-I27 HydrophobicContact CD1-CG2 3.83Å; I27-K49 WeakPolarHBondContact O-CG 3.45Å; I27-P50 HydrophobicContact CG2-CG 4.25Å; I27-L55 HydrophobicContact CD1-CD2 3.99Å; I27-L55 HydrophobicContact CG2-CD1 4.07Å; I27-L55 HydrophobicContact CG2-CD2 4.35Å | ||
| 28 | D | 84.3 | Confident | 78.4 | Confident | 78 Ų | 78 | 53.4 Ų | 53.4 | 42% | 0.417 | 32% | 0.319 | S | S | . | . | trans | -129.5 | -168.5 | 177.3 | 74.4 | 5.4 | 0 | 0 | 0 | 112 | G30 S31 P50 | D28-G30 WeakPolarHBondContact OD1-CA 3.46Å; D28-G30 PolarHBondContact OD1-N 3.32Å; D28-S31 PolarHBondContact O-OG 3.48Å; D28-S31 PolarHBondContact OD1-N 3.39Å; D28-P50 VanDerWaalsContact O-CD 3.24Å; D28-P50 WeakPolarHBondContact O-CD 3.35Å; D28-P50 WeakPolarHBondContact O-CG 3.41Å | ||
| 29 | F | 84.1 | Confident | 79.2 | Confident | 7 Ų | 7 | 54 Ų | 54 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -81.4 | -20.2 | 174.5 | -83.6 | -85 | 0 | 0 | 0 | 113.9 | S31 L32 L34 L39 L42 F47 K49 P50 I58 | F29-S31 VanDerWaalsContact C-N 3.31Å; F29-S31 PolarHBondContact O-N 2.67Å; F29-L32 HydrophobicContact CD1-CD1 3.75Å; F29-L32 HydrophobicContact CE1-CD1 4.23Å; F29-L32 WeakPolarHBondContact O-CB 3.45Å; F29-L32 PolarHBondContact O-N 3.33Å; F29-L34 HydrophobicContact CD1-CD1 4.28Å; F29-L39 HydrophobicContact CB-CD2 4.18Å; F29-L39 WeakPolarHBondContact O-CD2 3.33Å; F29-L42 HydrophobicContact CB-CD1 4.1Å; F29-L42 HydrophobicContact CD1-CD1 3.54Å; F29-L42 HydrophobicContact CD1-CD2 4.37Å; F29-L42 HydrophobicContact CE1-CD1 4.1Å; F29-L42 HydrophobicContact CE1-CD2 4.15Å; F29-L42 HydrophobicContact CG-CD1 3.89Å; F29-L42 HydrophobicContact CZ-CD2 4.36Å; F29-F47 HydrophobicContact CD2-CB 4.24Å; F29-F47 HydrophobicContact CE2-CB 3.72Å; F29-F47 HydrophobicContact CZ-CB 4.24Å; F29-K49 WeakPolarHBondContact CE2-O 3.41Å; F29-P50 HydrophobicContact CD1-CB 4.4Å; F29-P50 HydrophobicContact CE1-CB 4Å; F29-P50 HydrophobicContact CE2-CB 4.16Å; F29-P50 VanDerWaalsContact CE2-N 3.35Å; F29-P50 HydrophobicContact CZ-CB 3.87Å; F29-I58 HydrophobicContact CE1-CD1 4.23Å |
| 30 | G | 81.4 | Confident | 80 | Confident | 35 Ų | 35 | 53 Ų | 53 | 36% | 0.361 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -64.8 | -36.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D28 L32 L33 | D28-G30 WeakPolarHBondContact OD1-CA 3.46Å; D28-G30 PolarHBondContact OD1-N 3.32Å; G30-L32 PolarHBondContact O-N 3.48Å; G30-L33 PolarHBondContact O-N 3.18Å; G30-L33 VanDerWaalsContact O-N 3.13Å |
| 31 | S | 80.6 | Confident | 81.1 | Confident | 70 Ų | 70 | 52.3 Ų | 52.3 | 49% | 0.49 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -65.8 | -0.4 | 174.5 | 86.5 | 0 | 0 | 0 | 0 | 114.8 | D28 F29 | D28-S31 PolarHBondContact O-OG 3.48Å; D28-S31 PolarHBondContact OD1-N 3.39Å; F29-S31 VanDerWaalsContact C-N 3.31Å; F29-S31 PolarHBondContact O-N 2.67Å |
| 32 | L | 80.1 | Confident | 82 | Confident | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -95.1 | 2.1 | 174.6 | -53.8 | -175.3 | 0 | 0 | 0 | 113.4 | F29 G30 L34 P50 L55 I58 P59 R62 | F29-L32 HydrophobicContact CD1-CD1 3.75Å; F29-L32 HydrophobicContact CE1-CD1 4.23Å; F29-L32 WeakPolarHBondContact O-CB 3.45Å; F29-L32 PolarHBondContact O-N 3.33Å; G30-L32 PolarHBondContact O-N 3.48Å; L32-L34 HydrophobicContact CB-CD1 4.08Å; L32-L34 HydrophobicContact CB-CG 4Å; L32-L34 HydrophobicContact CD1-CD1 4.38Å; L32-L34 PolarHBondContact O-N 3.3Å; L32-P50 HydrophobicContact CD1-CB 4.43Å; L32-P50 HydrophobicContact CD1-CG 4.49Å; L32-L55 HydrophobicContact CD2-CD1 3.69Å; L32-I58 HydrophobicContact CD1-CB 4.37Å; L32-I58 HydrophobicContact CD1-CD1 4.07Å; L32-I58 HydrophobicContact CD1-CG2 4.29Å; L32-P59 HydrophobicContact CD2-CG 4.28Å; L32-R62 PolarHBondContact O-NH1 3.03Å |
| 33 | L | 81.3 | Confident | 82.8 | Confident | 92 Ų | 92 | 52.4 Ų | 52.4 | 48% | 0.482 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 31.5 | 176.9 | -56.5 | 174 | 0 | 0 | 0 | 114.3 | G30 R62 L770 | G30-L33 PolarHBondContact O-N 3.18Å; G30-L33 VanDerWaalsContact O-N 3.13Å; L33-R62 PolarHBondContact O-NH1 3.4Å; L33-R62 PolarHBondContact O-NH2 3.12Å; L33-L770 HydrophobicContact CD1-CD1 3.52Å; L33-L770 HydrophobicContact CD1-CG 3.65Å |
| 34 | L | 84.4 | Confident | 83.7 | Confident | 11 Ų | 11 | 53.2 Ų | 53.2 | 6% | 0.058 | 33% | 0.333 | C | S | . | . | trans | -70.5 | 155.5 | -179.9 | -65.1 | 165.7 | 0 | 0 | 0 | 111.4 | F29 L32 V38 L39 L42 I58 T83 D87 | F29-L34 HydrophobicContact CD1-CD1 4.28Å; L32-L34 HydrophobicContact CB-CD1 4.08Å; L32-L34 HydrophobicContact CB-CG 4Å; L32-L34 HydrophobicContact CD1-CD1 4.38Å; L32-L34 PolarHBondContact O-N 3.3Å; L34-V38 HydrophobicContact CB-CG1 4.46Å; L34-V38 HydrophobicContact CD1-CG1 4.35Å; L34-L39 HydrophobicContact CB-CD2 3.86Å; L34-L39 HydrophobicContact CB-CG 3.95Å; L34-L39 HydrophobicContact CD1-CD2 4.08Å; L34-L39 WeakPolarHBondContact O-CD1 3.48Å; L34-L42 HydrophobicContact CD1-CD1 3.71Å; L34-I58 HydrophobicContact CD2-CG2 4.13Å; L34-T83 HydrophobicContact CD1-CG2 3.64Å; L34-T83 HydrophobicContact CD2-CG2 3.44Å; L34-T83 VanDerWaalsContact CD2-CG2 3.44Å; L34-T83 HydrophobicContact CG-CG2 4.21Å; L34-D87 HydrophobicContact CD2-CB 4.37Å | ||
| 35 | S | 87.9 | Confident | 84.9 | Confident | 50 Ų | 50 | 50.7 Ų | 50.7 | 35% | 0.35 | 31% | 0.311 | S | S | . | . | trans | -58.8 | 143.8 | 172.1 | 57 | 0 | 0 | 0 | 0 | 111.8 | A37 V38 L39 D87 | S35-A37 VanDerWaalsContact C-N 3.28Å; S35-A37 PolarHBondContact O-N 3.44Å; S35-V38 WeakPolarHBondContact O-CA 3.47Å; S35-V38 WeakPolarHBondContact O-CB 3.49Å; S35-V38 PolarHBondContact O-N 3.39Å; S35-V38 WeakPolarHBondContact OG-CG2 3.37Å; S35-L39 PolarHBondContact O-N 3.39Å; S35-D87 VanDerWaalsContact CB-OD1 3.23Å; S35-D87 WeakPolarHBondContact CB-OD1 3.22Å; S35-D87 PolarHBondContact N-OD1 3.22Å; S35-D87 PolarHBondContact OG-OD1 3.35Å | ||
| 36 | Q | 88.9 | Confident | 86 | Confident | 121 Ų | 121 | 42.5 Ų | 42.5 | 57% | 0.565 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -57.2 | -39.4 | -172.6 | -170.5 | 62.9 | 46.1 | 0 | 0 | 112.8 | V38 L39 D40 | Q36-V38 VanDerWaalsContact C-N 3.27Å; Q36-V38 PolarHBondContact O-N 3.12Å; Q36-L39 PolarHBondContact O-N 3Å; Q36-L39 VanDerWaalsContact O-N 3.15Å; Q36-D40 PolarHBondContact NE2-OD1 2.77Å; Q36-D40 WeakPolarHBondContact O-CB 3.41Å; Q36-D40 VanDerWaalsContact O-CG 3.25Å; Q36-D40 PolarHBondContact O-N 2.96Å |
| 37 | A | 90.8 | Very high | 87 | Confident | 32 Ų | 32 | 40.2 Ų | 40.2 | 26% | 0.264 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.5 | -30.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S35 G41 M122 | S35-A37 VanDerWaalsContact C-N 3.28Å; S35-A37 PolarHBondContact O-N 3.44Å; A37-G41 PolarHBondContact O-N 3.31Å; A37-G41 VanDerWaalsContact O-N 3.17Å; A37-M122 HydrophobicContact CB-CG 3.83Å |
| 38 | V | 92.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -76.5 | -37.9 | 173.8 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | L34 S35 Q36 L42 T83 L86 D87 I118 M122 | L34-V38 HydrophobicContact CB-CG1 4.46Å; L34-V38 HydrophobicContact CD1-CG1 4.35Å; S35-V38 WeakPolarHBondContact O-CA 3.47Å; S35-V38 WeakPolarHBondContact O-CB 3.49Å; S35-V38 PolarHBondContact O-N 3.39Å; S35-V38 WeakPolarHBondContact OG-CG2 3.37Å; Q36-V38 VanDerWaalsContact C-N 3.27Å; Q36-V38 PolarHBondContact O-N 3.12Å; V38-L42 HydrophobicContact CG1-CD1 4.05Å; V38-L42 HydrophobicContact CG1-CG 4.4Å; V38-L42 VanDerWaalsContact O-CB 3.31Å; V38-L42 WeakPolarHBondContact O-CB 3.17Å; V38-L42 WeakPolarHBondContact O-CG 3.3Å; V38-L42 PolarHBondContact O-N 2.73Å; V38-T83 HydrophobicContact CG1-CG2 4.05Å; V38-L86 HydrophobicContact CG2-CB 3.95Å; V38-D87 HydrophobicContact CG2-CB 4.42Å; V38-I118 HydrophobicContact CG1-CG2 4.35Å; V38-M122 HydrophobicContact CG2-SD 4.15Å |
| 39 | L | 91.8 | Very high | 87.3 | Confident | 32 Ų | 32 | 43.9 Ų | 43.9 | 17% | 0.168 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.2 | -47.8 | 173.8 | -67.7 | 175.4 | 0 | 0 | 0 | 112.5 | F29 L34 S35 Q36 G41 L42 S43 | F29-L39 HydrophobicContact CB-CD2 4.18Å; F29-L39 WeakPolarHBondContact O-CD2 3.33Å; L34-L39 HydrophobicContact CB-CD2 3.86Å; L34-L39 HydrophobicContact CB-CG 3.95Å; L34-L39 HydrophobicContact CD1-CD2 4.08Å; L34-L39 WeakPolarHBondContact O-CD1 3.48Å; S35-L39 PolarHBondContact O-N 3.39Å; Q36-L39 PolarHBondContact O-N 3Å; Q36-L39 VanDerWaalsContact O-N 3.15Å; L39-G41 VanDerWaalsContact C-N 3.28Å; L39-G41 PolarHBondContact O-N 3.3Å; L39-L42 PolarHBondContact O-N 2.77Å; L39-S43 WeakPolarHBondContact O-CB 3.42Å; L39-S43 PolarHBondContact O-N 3.41Å |
| 40 | D | 92.6 | Very high | 87.6 | Confident | 72 Ų | 72 | 43.7 Ų | 43.7 | 39% | 0.385 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.7 | -38.4 | 178 | -69.5 | -17.8 | 0 | 0 | 0 | 111.4 | Q36 S44 A121 | Q36-D40 PolarHBondContact NE2-OD1 2.77Å; Q36-D40 WeakPolarHBondContact O-CB 3.41Å; Q36-D40 VanDerWaalsContact O-CG 3.25Å; Q36-D40 PolarHBondContact O-N 2.96Å; D40-S44 WeakPolarHBondContact O-CB 3.47Å; D40-S44 PolarHBondContact O-N 3.42Å; D40-S44 PolarHBondContact O-OG 3.41Å; D40-A121 HydrophobicContact CB-CB 4.04Å |
| 41 | G | 93.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -73.4 | -40.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A37 L39 S44 A45 I118 | A37-G41 PolarHBondContact O-N 3.31Å; A37-G41 VanDerWaalsContact O-N 3.17Å; L39-G41 VanDerWaalsContact C-N 3.28Å; L39-G41 PolarHBondContact O-N 3.3Å; G41-S44 PolarHBondContact O-N 3.33Å; G41-A45 VanDerWaalsContact O-CB 3.26Å; G41-A45 WeakPolarHBondContact O-CB 3.17Å; G41-A45 PolarHBondContact O-N 3Å; G41-I118 VanDerWaalsContact CA-O 3.27Å; G41-I118 WeakPolarHBondContact CA-O 3.38Å |
| 42 | L | 92.1 | Very high | 88.1 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.1 | -51.6 | 169.4 | -79.7 | 166.6 | 0 | 0 | 0 | 110.6 | F29 L34 V38 L39 A45 G46 F47 I118 | F29-L42 HydrophobicContact CB-CD1 4.1Å; F29-L42 HydrophobicContact CD1-CD1 3.54Å; F29-L42 HydrophobicContact CD1-CD2 4.37Å; F29-L42 HydrophobicContact CE1-CD1 4.1Å; F29-L42 HydrophobicContact CE1-CD2 4.15Å; F29-L42 HydrophobicContact CG-CD1 3.89Å; F29-L42 HydrophobicContact CZ-CD2 4.36Å; L34-L42 HydrophobicContact CD1-CD1 3.71Å; V38-L42 HydrophobicContact CG1-CD1 4.05Å; V38-L42 HydrophobicContact CG1-CG 4.4Å; V38-L42 VanDerWaalsContact O-CB 3.31Å; V38-L42 WeakPolarHBondContact O-CB 3.17Å; V38-L42 WeakPolarHBondContact O-CG 3.3Å; V38-L42 PolarHBondContact O-N 2.73Å; L39-L42 PolarHBondContact O-N 2.77Å; L42-A45 CarbonylContact O-C 3.5Å; L42-A45 PolarHBondContact O-N 3.17Å; L42-G46 PolarHBondContact O-N 3.43Å; L42-G46 VanDerWaalsContact O-N 3.07Å; L42-F47 HydrophobicContact CB-CB 4.15Å; L42-F47 HydrophobicContact CD2-CB 3.82Å; L42-F47 HydrophobicContact CD2-CD2 3.9Å; L42-F47 HydrophobicContact CD2-CG 4Å; L42-F47 WeakPolarHBondContact O-CB 3.33Å; L42-F47 PolarHBondContact O-N 3.36Å; L42-I118 HydrophobicContact CD2-CD1 3.95Å; L42-I118 HydrophobicContact CD2-CG1 4.17Å; L42-I118 HydrophobicContact CD2-CG2 3.88Å; L42-I118 HydrophobicContact CG-CG2 3.88Å |
| 43 | S | 91.1 | Very high | 88.4 | Confident | 87 Ų | 87 | 39.5 Ų | 39.5 | 61% | 0.608 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -59.5 | -47 | 177.3 | -176.3 | 0 | 0 | 0 | 0 | 112 | L39 A45 G46 | L39-S43 WeakPolarHBondContact O-CB 3.42Å; L39-S43 PolarHBondContact O-N 3.41Å; S43-A45 VanDerWaalsContact C-N 3.28Å; S43-A45 PolarHBondContact O-N 2.94Å; S43-G46 WeakPolarHBondContact O-CA 3.23Å; S43-G46 PolarHBondContact O-N 3.34Å |
| 44 | S | 90.4 | Very high | 88.9 | Confident | 61 Ų | 61 | 35.2 Ų | 35.2 | 43% | 0.427 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.3 | -31.2 | 176.3 | -66.5 | 0 | 0 | 0 | 0 | 113.7 | D40 G41 G46 | D40-S44 WeakPolarHBondContact O-CB 3.47Å; D40-S44 PolarHBondContact O-N 3.42Å; D40-S44 PolarHBondContact O-OG 3.41Å; G41-S44 PolarHBondContact O-N 3.33Å; S44-G46 VanDerWaalsContact C-N 3.3Å |
| 45 | A | 88.1 | Confident | 89.1 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -82 | -6.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | R6 R7 A8 A9 G41 L42 S43 F47 A117 | R6-A45 WeakPolarHBondContact O-CA 3.49Å; R7-A45 CarbonylContact C-O 3.52Å; R7-A45 WeakPolarHBondContact CA-O 3.48Å; A8-A45 HydrophobicContact CB-CB 4.32Å; A8-A45 PolarHBondContact N-O 3.28Å; A9-A45 WeakPolarHBondContact CB-O 3.48Å; A9-A45 PolarHBondContact N-O 3.37Å; G41-A45 VanDerWaalsContact O-CB 3.26Å; G41-A45 WeakPolarHBondContact O-CB 3.17Å; G41-A45 PolarHBondContact O-N 3Å; L42-A45 CarbonylContact O-C 3.5Å; L42-A45 PolarHBondContact O-N 3.17Å; S43-A45 VanDerWaalsContact C-N 3.28Å; S43-A45 PolarHBondContact O-N 2.94Å; A45-F47 HydrophobicContact CB-CD2 3.77Å; A45-F47 HydrophobicContact CB-CE2 3.9Å; A45-A117 HydrophobicContact CB-CB 4.16Å |
| 46 | G | 86.8 | Confident | 89 | Confident | 21 Ų | 21 | 35.7 Ų | 35.7 | 22% | 0.216 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.2 | 7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | A9 L42 S43 S44 Q48 | A9-G46 VanDerWaalsContact CB-O 3.29Å; A9-G46 WeakPolarHBondContact CB-O 3.44Å; L42-G46 PolarHBondContact O-N 3.43Å; L42-G46 VanDerWaalsContact O-N 3.07Å; S43-G46 WeakPolarHBondContact O-CA 3.23Å; S43-G46 PolarHBondContact O-N 3.34Å; S44-G46 VanDerWaalsContact C-N 3.3Å; G46-Q48 PolarHBondContact O-N 3.2Å; G46-Q48 VanDerWaalsContact O-N 3.16Å |
| 47 | F | 87.3 | Confident | 89 | Confident | 29 Ų | 29 | 30 Ų | 30 | 13% | 0.127 | 17% | 0.171 | C | C | . | . | trans | -78.9 | 95 | 178.2 | -66.2 | -76.1 | 0 | 0 | 0 | 110.2 | A8 A9 F29 L42 A45 I118 | A8-F47 HydrophobicContact CB-CE2 4.25Å; A9-F47 HydrophobicContact CB-CB 4.4Å; A9-F47 HydrophobicContact CB-CD1 3.55Å; A9-F47 HydrophobicContact CB-CD2 4.02Å; A9-F47 HydrophobicContact CB-CE1 3.67Å; A9-F47 HydrophobicContact CB-CE2 4.13Å; A9-F47 HydrophobicContact CB-CG 3.72Å; A9-F47 HydrophobicContact CB-CZ 3.95Å; F29-F47 HydrophobicContact CD2-CB 4.24Å; F29-F47 HydrophobicContact CE2-CB 3.72Å; F29-F47 HydrophobicContact CZ-CB 4.24Å; L42-F47 HydrophobicContact CB-CB 4.15Å; L42-F47 HydrophobicContact CD2-CB 3.82Å; L42-F47 HydrophobicContact CD2-CD2 3.9Å; L42-F47 HydrophobicContact CD2-CG 4Å; L42-F47 WeakPolarHBondContact O-CB 3.33Å; L42-F47 PolarHBondContact O-N 3.36Å; A45-F47 HydrophobicContact CB-CD2 3.77Å; A45-F47 HydrophobicContact CB-CE2 3.9Å; F47-I118 HydrophobicContact CD2-CD1 4.24Å; F47-I118 HydrophobicContact CD2-CG1 4.15Å; F47-I118 HydrophobicContact CE2-CD1 3.83Å; F47-I118 HydrophobicContact CE2-CG1 3.86Å; F47-I118 HydrophobicContact CZ-CD1 4.46Å | ||
| 48 | Q | 82.6 | Confident | 88.9 | Confident | 100 Ų | 100 | 28.4 Ų | 28.4 | 47% | 0.467 | 16% | 0.158 | S | C | . | . | trans | -85.2 | -48.8 | 179.6 | -63.2 | 176.8 | -1.3 | 0 | 0 | 113 | G46 | G46-Q48 PolarHBondContact O-N 3.2Å; G46-Q48 VanDerWaalsContact O-N 3.16Å | ||
| 49 | K | 85.5 | Confident | 88.6 | Confident | 95 Ų | 95 | 30 Ų | 30 | 41% | 0.413 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -126.4 | 136.6 | -175.3 | -61.7 | 179.9 | 179.5 | 165.8 | 0 | 110.4 | I12 I27 F29 | I12-K49 HydrophobicContact CD1-CB 4.37Å; I27-K49 WeakPolarHBondContact O-CG 3.45Å; F29-K49 WeakPolarHBondContact CE2-O 3.41Å |
| 50 | P | 89.1 | Confident | 88.4 | Confident | 4 Ų | 4 | 30 Ų | 30 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | trans | -69.3 | 150.3 | 174.6 | 27.4 | -32.3 | 0 | 0 | 0 | 110.5 | L23 I27 D28 F29 L32 Q54 L55 | L23-P50 HydrophobicContact CD1-CG 3.93Å; L23-P50 WeakPolarHBondContact CD1-O 3.44Å; L23-P50 WeakPolarHBondContact CG-O 3.26Å; I27-P50 HydrophobicContact CG2-CG 4.25Å; D28-P50 VanDerWaalsContact O-CD 3.24Å; D28-P50 WeakPolarHBondContact O-CD 3.35Å; D28-P50 WeakPolarHBondContact O-CG 3.41Å; F29-P50 HydrophobicContact CD1-CB 4.4Å; F29-P50 HydrophobicContact CE1-CB 4Å; F29-P50 HydrophobicContact CE2-CB 4.16Å; F29-P50 VanDerWaalsContact CE2-N 3.35Å; F29-P50 HydrophobicContact CZ-CB 3.87Å; L32-P50 HydrophobicContact CD1-CB 4.43Å; L32-P50 HydrophobicContact CD1-CG 4.49Å; P50-Q54 HydrophobicContact CB-CB 3.86Å; P50-L55 HydrophobicContact CB-CB 4.47Å; P50-L55 HydrophobicContact CG-CB 4.43Å | ||
| 51 | S | 86.9 | Confident | 88.2 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.007 | 15% | 0.15 | C | C | . | . | trans | -77.1 | 162.8 | 164.1 | 58.4 | 0 | 0 | 0 | 0 | 110.7 | I53 Q54 L55 T75 | S51-I53 PolarHBondContact O-N 2.98Å; S51-I53 VanDerWaalsContact O-N 3.08Å; S51-Q54 WeakPolarHBondContact O-CB 3.35Å; S51-Q54 PolarHBondContact O-N 2.95Å; S51-Q54 WeakPolarHBondContact OG-CG 3.38Å; S51-Q54 PolarHBondContact OG-OE1 3.1Å; S51-L55 PolarHBondContact O-N 2.99Å; S51-T75 PolarHBondContact OG-O 3.36Å | ||
| 52 | P | 85.5 | Confident | 87.8 | Confident | 19 Ų | 19 | 29.5 Ų | 29.5 | 12% | 0.123 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -55.8 | -29.1 | -179.6 | -26.4 | 33.1 | 0 | 0 | 0 | 114.9 | V21 L22 L23 K56 L231 | V21-P52 WeakPolarHBondContact O-CD 3.27Å; L22-P52 WeakPolarHBondContact O-CG 3.33Å; L23-P52 HydrophobicContact CD2-CB 4.26Å; L23-P52 HydrophobicContact CD2-CG 3.93Å; L23-P52 HydrophobicContact CG-CG 4.48Å; P52-K56 PolarHBondContact O-N 3.2Å; P52-L231 HydrophobicContact CB-CD1 3.95Å; P52-L231 HydrophobicContact CB-CD2 4.07Å |
| 53 | I | 87.7 | Confident | 87.3 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -76.3 | -34 | 175.6 | -165.5 | 68.5 | 0 | 0 | 0 | 112 | S51 A57 V69 A71 V229 L231 | S51-I53 PolarHBondContact O-N 2.98Å; S51-I53 VanDerWaalsContact O-N 3.08Å; I53-A57 WeakPolarHBondContact O-CB 3.35Å; I53-A57 PolarHBondContact O-N 3.21Å; I53-V69 HydrophobicContact CD1-CG1 3.69Å; I53-V69 HydrophobicContact CG1-CG1 3.62Å; I53-A71 HydrophobicContact CB-CB 4.12Å; I53-A71 HydrophobicContact CD1-CB 3.92Å; I53-A71 HydrophobicContact CG1-CB 3.71Å; I53-A71 HydrophobicContact CG2-CB 4.34Å; I53-V229 HydrophobicContact CD1-CG1 3.91Å; I53-L231 HydrophobicContact CB-CD1 3.89Å; I53-L231 HydrophobicContact CB-CG 4.47Å; I53-L231 HydrophobicContact CD1-CD1 4.43Å; I53-L231 HydrophobicContact CD1-CG 4.13Å |
| 54 | Q | 90.9 | Very high | 87 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.009 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -70.5 | -46.7 | 177 | -71.8 | 156.9 | -6.9 | 0 | 0 | 110.9 | P50 S51 K56 A57 I58 G76 C79 V80 | P50-Q54 HydrophobicContact CB-CB 3.86Å; S51-Q54 WeakPolarHBondContact O-CB 3.35Å; S51-Q54 PolarHBondContact O-N 2.95Å; S51-Q54 WeakPolarHBondContact OG-CG 3.38Å; S51-Q54 PolarHBondContact OG-OE1 3.1Å; Q54-K56 VanDerWaalsContact C-N 3.32Å; Q54-K56 PolarHBondContact O-N 3.38Å; Q54-A57 PolarHBondContact O-N 3.29Å; Q54-I58 HydrophobicContact CB-CD1 3.82Å; Q54-I58 HydrophobicContact CG-CD1 4.29Å; Q54-I58 VanDerWaalsContact O-CB 3.3Å; Q54-I58 WeakPolarHBondContact O-CB 3.33Å; Q54-I58 VanDerWaalsContact O-CG1 3.28Å; Q54-I58 WeakPolarHBondContact O-CG1 3.01Å; Q54-I58 PolarHBondContact O-N 2.87Å; Q54-G76 PolarHBondContact NE2-O 3.22Å; Q54-C79 HydrophobicContact CG-CB 4.45Å; Q54-C79 VanDerWaalsContact NE2-CB 3.34Å; Q54-V80 HydrophobicContact CB-CG2 4.43Å; Q54-V80 HydrophobicContact CG-CG2 3.69Å |
| 55 | L | 88.4 | Confident | 86.8 | Confident | 21 Ų | 21 | 28.5 Ų | 28.5 | 11% | 0.11 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -55.4 | -44.9 | 176.2 | 176.5 | 61.8 | 0 | 0 | 0 | 112.2 | L23 I27 L32 P50 S51 P59 | L23-L55 HydrophobicContact CD1-CB 4.37Å; L23-L55 HydrophobicContact CD1-CD2 3.88Å; L23-L55 HydrophobicContact CD2-CD2 3.68Å; L23-L55 HydrophobicContact CG-CD2 4.49Å; I27-L55 HydrophobicContact CD1-CD2 3.99Å; I27-L55 HydrophobicContact CG2-CD1 4.07Å; I27-L55 HydrophobicContact CG2-CD2 4.35Å; L32-L55 HydrophobicContact CD2-CD1 3.69Å; P50-L55 HydrophobicContact CB-CB 4.47Å; P50-L55 HydrophobicContact CG-CB 4.43Å; S51-L55 PolarHBondContact O-N 2.99Å; L55-P59 WeakPolarHBondContact O-CD 3.39Å |
| 56 | K | 85.6 | Confident | 87 | Confident | 51 Ų | 51 | 29.3 Ų | 29.3 | 22% | 0.222 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -83.4 | -30.7 | -177.2 | -60.7 | -164.7 | -175.5 | -161.2 | 0 | 113.7 | P52 Q54 L60 V229 G556 R557 V559 | P52-K56 PolarHBondContact O-N 3.2Å; Q54-K56 VanDerWaalsContact C-N 3.32Å; Q54-K56 PolarHBondContact O-N 3.38Å; K56-L60 VanDerWaalsContact O-CD1 3.29Å; K56-L60 WeakPolarHBondContact O-CD1 3.45Å; K56-V229 HydrophobicContact CB-CG1 4.28Å; K56-G556 PolarHBondContact NZ-O 2.99Å; K56-R557 PolarHBondContact NZ-O 3.1Å; K56-V559 HydrophobicContact CD-CG2 4.17Å |
| 57 | A | 89.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -91.9 | -32.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115 | I53 Q54 G61 L67 V69 V80 V229 | I53-A57 WeakPolarHBondContact O-CB 3.35Å; I53-A57 PolarHBondContact O-N 3.21Å; Q54-A57 PolarHBondContact O-N 3.29Å; A57-G61 PolarHBondContact O-N 3.21Å; A57-G61 VanDerWaalsContact O-N 3.09Å; A57-L67 HydrophobicContact CB-CD1 4.4Å; A57-L67 WeakPolarHBondContact O-CD1 3.32Å; A57-V69 HydrophobicContact CB-CG1 4.3Å; A57-V69 HydrophobicContact CB-CG2 4.28Å; A57-V80 HydrophobicContact CB-CG1 3.56Å; A57-V229 HydrophobicContact CB-CG1 4.17Å |
| 58 | I | 89.6 | Confident | 87.6 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.1 | -49.5 | -175.4 | -68.6 | 169.8 | 0 | 0 | 0 | 112 | F29 L32 L34 Q54 L60 G61 R62 V80 T83 | F29-I58 HydrophobicContact CE1-CD1 4.23Å; L32-I58 HydrophobicContact CD1-CB 4.37Å; L32-I58 HydrophobicContact CD1-CD1 4.07Å; L32-I58 HydrophobicContact CD1-CG2 4.29Å; L34-I58 HydrophobicContact CD2-CG2 4.13Å; Q54-I58 HydrophobicContact CB-CD1 3.82Å; Q54-I58 HydrophobicContact CG-CD1 4.29Å; Q54-I58 VanDerWaalsContact O-CB 3.3Å; Q54-I58 WeakPolarHBondContact O-CB 3.33Å; Q54-I58 VanDerWaalsContact O-CG1 3.28Å; Q54-I58 WeakPolarHBondContact O-CG1 3.01Å; Q54-I58 PolarHBondContact O-N 2.87Å; I58-L60 PolarHBondContact O-N 3.06Å; I58-G61 PolarHBondContact O-N 3.17Å; I58-R62 HydrophobicContact CG2-CG 4.44Å; I58-R62 WeakPolarHBondContact O-CG 3.42Å; I58-R62 PolarHBondContact O-N 2.76Å; I58-V80 HydrophobicContact CG1-CB 4.45Å; I58-V80 HydrophobicContact CG1-CG1 4.11Å; I58-T83 HydrophobicContact CD1-CG2 4.11Å; I58-T83 HydrophobicContact CG2-CG2 3.94Å |
| 59 | P | 86.4 | Confident | 88.1 | Confident | 33 Ų | 33 | 22.8 Ų | 22.8 | 21% | 0.214 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.4 | -45 | -179.6 | -24.4 | 35.5 | 0 | 0 | 0 | 113 | L32 L55 G61 R62 C63 | L32-P59 HydrophobicContact CD2-CG 4.28Å; L55-P59 WeakPolarHBondContact O-CD 3.39Å; P59-G61 PolarHBondContact O-N 2.96Å; P59-R62 PolarHBondContact O-N 3.2Å; P59-R62 VanDerWaalsContact O-N 3.09Å; P59-C63 PolarHBondContact O-N 3.47Å; P59-C63 VanDerWaalsContact O-N 3.16Å |
| 60 | L | 86.8 | Confident | 88.3 | Confident | 32 Ų | 32 | 18.9 Ų | 18.9 | 17% | 0.168 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.3 | -36 | 177.5 | -60.7 | 174.7 | 0 | 0 | 0 | 112.1 | K56 I58 C63 L65 L67 T227 V229 | K56-L60 VanDerWaalsContact O-CD1 3.29Å; K56-L60 WeakPolarHBondContact O-CD1 3.45Å; I58-L60 PolarHBondContact O-N 3.06Å; L60-C63 PolarHBondContact O-N 3Å; L60-L65 HydrophobicContact CB-CD1 4.45Å; L60-L65 HydrophobicContact CD2-CD1 4.35Å; L60-L65 WeakPolarHBondContact O-CB 3.45Å; L60-L67 HydrophobicContact CB-CD1 4.44Å; L60-L67 HydrophobicContact CB-CD2 3.84Å; L60-T227 HydrophobicContact CD1-CG2 3.98Å; L60-V229 HydrophobicContact CD1-CG2 3.92Å |
| 61 | G | 87.4 | Confident | 88.2 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -70.1 | -35.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A57 I58 P59 C63 G64 Q203 | A57-G61 PolarHBondContact O-N 3.21Å; A57-G61 VanDerWaalsContact O-N 3.09Å; I58-G61 PolarHBondContact O-N 3.17Å; P59-G61 PolarHBondContact O-N 2.96Å; G61-C63 VanDerWaalsContact C-N 3.3Å; G61-C63 PolarHBondContact O-N 3.03Å; G61-G64 PolarHBondContact O-N 3.22Å; G61-G64 VanDerWaalsContact O-N 3.08Å; G61-Q203 PolarHBondContact O-NE2 3.35Å |
| 62 | R | 87.2 | Confident | 87.9 | Confident | 60 Ų | 60 | 20.2 Ų | 20.2 | 23% | 0.226 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -68.6 | -28.4 | 175.5 | -65.4 | 176.8 | 77.4 | -146.5 | 3.6 | 112.9 | L32 L33 I58 P59 G64 D87 Y766 | L32-R62 PolarHBondContact O-NH1 3.03Å; L33-R62 PolarHBondContact O-NH1 3.4Å; L33-R62 PolarHBondContact O-NH2 3.12Å; I58-R62 HydrophobicContact CG2-CG 4.44Å; I58-R62 WeakPolarHBondContact O-CG 3.42Å; I58-R62 PolarHBondContact O-N 2.76Å; P59-R62 PolarHBondContact O-N 3.2Å; P59-R62 VanDerWaalsContact O-N 3.09Å; R62-G64 PolarHBondContact O-N 3.19Å; R62-G64 VanDerWaalsContact O-N 3.11Å; R62-D87 IonicContact CZ-OD2 3.98Å; R62-D87 IonicContact NE-OD2 3.18Å; R62-D87 PolarHBondContact NE-OD2 2.81Å; R62-D87 IonicContact NH2-OD1 3.88Å; R62-D87 IonicContact NH2-OD2 3.6Å; R62-D87 PolarHBondContact NH2-OD2 3.28Å; R62-Y766 PolarHBondContact NH1-OH 3.31Å |
| 63 | C | 81.6 | Confident | 87.5 | Confident | 26 Ų | 26 | 20.2 Ų | 20.2 | 18% | 0.176 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -0.5 | 169 | -66.6 | 0 | 0 | 0 | 0 | 114.3 | P59 L60 G61 L65 N763 | P59-C63 PolarHBondContact O-N 3.47Å; P59-C63 VanDerWaalsContact O-N 3.16Å; L60-C63 PolarHBondContact O-N 3Å; G61-C63 VanDerWaalsContact C-N 3.3Å; G61-C63 PolarHBondContact O-N 3.03Å; C63-L65 VanDerWaalsContact C-N 3.3Å; C63-L65 HydrophobicContact CB-CD1 4.36Å; C63-L65 HydrophobicContact CB-CG 4.1Å; C63-L65 PolarHBondContact O-N 3.43Å; C63-N763 PolarHBondContact SG-OD1 3.1Å |
| 64 | G | 83.3 | Confident | 86.9 | Confident | 42 Ų | 42 | 20.9 Ų | 20.9 | 43% | 0.433 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 11 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | G61 R62 | G61-G64 PolarHBondContact O-N 3.22Å; G61-G64 VanDerWaalsContact O-N 3.08Å; R62-G64 PolarHBondContact O-N 3.19Å; R62-G64 VanDerWaalsContact O-N 3.11Å |
| 65 | L | 86.3 | Confident | 86.2 | Confident | 60 Ų | 60 | 21.2 Ų | 21.2 | 31% | 0.314 | 12% | 0.124 | S | C | . | . | trans | -72.8 | 140.6 | 179.8 | -57.9 | 175.9 | 0 | 0 | 0 | 111.4 | L60 C63 L67 Q203 | L60-L65 HydrophobicContact CB-CD1 4.45Å; L60-L65 HydrophobicContact CD2-CD1 4.35Å; L60-L65 WeakPolarHBondContact O-CB 3.45Å; C63-L65 VanDerWaalsContact C-N 3.3Å; C63-L65 HydrophobicContact CB-CD1 4.36Å; C63-L65 HydrophobicContact CB-CG 4.1Å; C63-L65 PolarHBondContact O-N 3.43Å; L65-L67 HydrophobicContact CB-CD2 4.16Å; L65-L67 PolarHBondContact O-N 3.41Å; L65-Q203 PolarHBondContact O-NE2 2.93Å | ||
| 66 | D | 91.8 | Very high | 86 | Confident | 18 Ų | 18 | 21.2 Ų | 21.2 | 10% | 0.096 | 13% | 0.129 | C | C | . | . | trans | -61.8 | 128.8 | 166.5 | -88.6 | 15.1 | 0 | 0 | 0 | 109.2 | M204 M223 N224 P226 T227 | D66-M204 CarbonylContact C-O 3.57Å; D66-M204 VanDerWaalsContact CA-O 3.27Å; D66-M204 WeakPolarHBondContact CA-O 3.32Å; D66-M204 PolarHBondContact OD1-N 2.8Å; D66-M223 HydrophobicContact CB-CB 4.43Å; D66-M223 HydrophobicContact CB-CE 3.78Å; D66-M223 WeakPolarHBondContact OD2-CA 3.44Å; D66-M223 WeakPolarHBondContact OD2-CB 3.2Å; D66-N224 PolarHBondContact OD2-N 3.07Å; D66-P226 HydrophobicContact CB-CB 4.14Å; D66-P226 CarbonylContact O-C 3.5Å; D66-P226 VanDerWaalsContact O-CA 3.32Å; D66-P226 WeakPolarHBondContact O-CA 3.43Å; D66-T227 PolarHBondContact O-N 2.99Å | ||
| 67 | L | 93.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 136 | -178.5 | -55.1 | -172.7 | 0 | 0 | 0 | 112.9 | A57 L60 L65 V69 I84 M204 L205 A206 M223 T227 | A57-L67 HydrophobicContact CB-CD1 4.4Å; A57-L67 WeakPolarHBondContact O-CD1 3.32Å; L60-L67 HydrophobicContact CB-CD1 4.44Å; L60-L67 HydrophobicContact CB-CD2 3.84Å; L65-L67 HydrophobicContact CB-CD2 4.16Å; L65-L67 PolarHBondContact O-N 3.41Å; L67-V69 HydrophobicContact CB-CG2 3.9Å; L67-V69 HydrophobicContact CD1-CG2 4.28Å; L67-I84 HydrophobicContact CD1-CD1 4.42Å; L67-M204 PolarHBondContact N-O 2.84Å; L67-L205 HydrophobicContact CB-CD2 3.65Å; L67-L205 HydrophobicContact CD1-CD2 3.96Å; L67-L205 HydrophobicContact CG-CD2 3.65Å; L67-L205 WeakPolarHBondContact O-CA 3.29Å; L67-A206 PolarHBondContact O-N 3.19Å; L67-M223 VanDerWaalsContact O-CE 3.26Å; L67-M223 WeakPolarHBondContact O-CE 3.35Å; L67-T227 WeakPolarHBondContact CA-O 3.22Å; L67-T227 HydrophobicContact CD2-CG2 4.48Å |
| 68 | I | 94.6 | Very high | 86.4 | Confident | 10 Ų | 10 | 21.5 Ų | 21.5 | 5% | 0.051 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 112.5 | 163.4 | -61.1 | 171.4 | 0 | 0 | 0 | 107.9 | A206 Y211 L219 M223 P226 T227 F228 V229 | I68-A206 CarbonylContact C-O 3.56Å; I68-A206 WeakPolarHBondContact CA-O 3.08Å; I68-A206 HydrophobicContact CG1-CB 4.47Å; I68-Y211 HydrophobicContact CG2-CD2 4.22Å; I68-Y211 HydrophobicContact CG2-CE2 3.54Å; I68-L219 HydrophobicContact CD1-CB 4.08Å; I68-L219 HydrophobicContact CD1-CD1 3.97Å; I68-L219 HydrophobicContact CG1-CD1 4.14Å; I68-L219 HydrophobicContact CG2-CD1 4.18Å; I68-M223 HydrophobicContact CD1-SD 3.97Å; I68-M223 HydrophobicContact CG1-CE 3.94Å; I68-M223 HydrophobicContact CG1-SD 3.54Å; I68-M223 VanDerWaalsContact CG1-SD 3.54Å; I68-P226 HydrophobicContact CD1-CB 3.8Å; I68-P226 HydrophobicContact CD1-CG 3.78Å; I68-P226 HydrophobicContact CG1-CB 3.92Å; I68-P226 HydrophobicContact CG1-CG 4.45Å; I68-T227 PolarHBondContact N-O 2.93Å; I68-F228 HydrophobicContact CB-CD2 3.72Å; I68-F228 HydrophobicContact CB-CE2 4.12Å; I68-F228 HydrophobicContact CD1-CD2 4.39Å; I68-F228 HydrophobicContact CG2-CD2 3.6Å; I68-F228 HydrophobicContact CG2-CE2 3.45Å; I68-F228 VanDerWaalsContact CG2-CE2 3.45Å; I68-V229 PolarHBondContact O-N 3.19Å |
| 69 | V | 93.1 | Very high | 86.6 | Confident | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 102.8 | -171.6 | -171 | 0 | 0 | 0 | 0 | 110.2 | I53 A57 L67 A206 L207 S208 V229 | I53-V69 HydrophobicContact CD1-CG1 3.69Å; I53-V69 HydrophobicContact CG1-CG1 3.62Å; A57-V69 HydrophobicContact CB-CG1 4.3Å; A57-V69 HydrophobicContact CB-CG2 4.28Å; L67-V69 HydrophobicContact CB-CG2 3.9Å; L67-V69 HydrophobicContact CD1-CG2 4.28Å; V69-A206 PolarHBondContact N-O 3.25Å; V69-L207 HydrophobicContact CB-CD2 3.84Å; V69-L207 HydrophobicContact CB-CG 3.94Å; V69-L207 HydrophobicContact CG1-CD2 4.1Å; V69-L207 HydrophobicContact CG2-CD2 4.22Å; V69-L207 HydrophobicContact CG2-CG 4.29Å; V69-L207 WeakPolarHBondContact O-CA 3.07Å; V69-S208 PolarHBondContact O-N 2.83Å; V69-S208 VanDerWaalsContact O-N 3.17Å; V69-V229 WeakPolarHBondContact CA-O 3.3Å |
| 70 | Q | 90.4 | Very high | 87 | Confident | 13 Ų | 13 | 20.2 Ų | 20.2 | 6% | 0.061 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 113.4 | 175.9 | -168.4 | -171.7 | -7.8 | 0 | 0 | 111.1 | A209 F228 V229 R230 | Q70-A209 PolarHBondContact NE2-O 2.8Å; Q70-F228 HydrophobicContact CB-CZ 4.4Å; Q70-V229 PolarHBondContact N-O 2.88Å; Q70-R230 HydrophobicContact CB-CB 4.38Å; Q70-R230 HydrophobicContact CB-CG 4.38Å; Q70-R230 WeakPolarHBondContact O-CA 3.44Å; Q70-R230 VanDerWaalsContact OE1-CZ 3.27Å |
| 71 | A | 85.5 | Confident | 87.5 | Confident | 6 Ų | 6 | 18.7 Ų | 18.7 | 5% | 0.05 | 12% | 0.117 | C | C | . | . | trans | -149.9 | 150 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I53 T75 K77 S208 A209 | I53-A71 HydrophobicContact CB-CB 4.12Å; I53-A71 HydrophobicContact CD1-CB 3.92Å; I53-A71 HydrophobicContact CG1-CB 3.71Å; I53-A71 HydrophobicContact CG2-CB 4.34Å; A71-T75 WeakPolarHBondContact CB-OG1 3.19Å; A71-K77 HydrophobicContact CB-CD 4.2Å; A71-K77 HydrophobicContact CB-CG 4.06Å; A71-K77 PolarHBondContact O-NZ 2.88Å; A71-S208 PolarHBondContact N-O 2.88Å; A71-S208 VanDerWaalsContact N-O 3.12Å; A71-A209 VanDerWaalsContact O-CA 3.3Å; A71-A209 WeakPolarHBondContact O-CA 3.45Å | ||
| 72 | K | 80.9 | Confident | 87.9 | Confident | 27 Ų | 27 | 18.6 Ų | 18.6 | 12% | 0.117 | 12% | 0.117 | C | C | . | . | trans | -54 | 153.4 | -175.1 | -64.4 | 169.7 | -174.7 | 178 | 0 | 112.3 | T75 D235 G237 L238 | K72-T75 HydrophobicContact CB-CG2 3.86Å; K72-T75 WeakPolarHBondContact O-CB 3.4Å; K72-T75 VanDerWaalsContact O-CG2 3.31Å; K72-T75 WeakPolarHBondContact O-CG2 3.35Å; K72-T75 PolarHBondContact O-N 3.12Å; K72-T75 PolarHBondContact O-OG1 3.2Å; K72-D235 WeakPolarHBondContact CE-O 3.4Å; K72-D235 VanDerWaalsContact NZ-CG 3.31Å; K72-D235 PolarHBondContact NZ-O 3.14Å; K72-D235 IonicContact NZ-OD1 3.46Å; K72-D235 PolarHBondContact NZ-OD1 3.05Å; K72-D235 IonicContact NZ-OD2 2.88Å; K72-D235 PolarHBondContact NZ-OD2 3.29Å; K72-G237 VanDerWaalsContact CE-O 3.29Å; K72-G237 WeakPolarHBondContact CE-O 3.25Å; K72-G237 PolarHBondContact NZ-O 2.92Å; K72-L238 HydrophobicContact CB-CD2 3.85Å; K72-L238 HydrophobicContact CD-CD2 4.19Å; K72-L238 HydrophobicContact CG-CD2 4.07Å | ||
| 73 | S | 77.6 | Confident | 88.4 | Confident | 20 Ų | 20 | 15.8 Ų | 15.8 | 14% | 0.14 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 140.5 | 178.1 | -71.1 | 0 | 0 | 0 | 0 | 111.1 | T75 | S73-T75 VanDerWaalsContact C-N 3.35Å; S73-T75 PolarHBondContact O-N 3.15Å |
| 74 | G | 74.1 | Confident | 89 | Confident | 15 Ų | 15 | 14.7 Ų | 14.7 | 16% | 0.155 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | -1.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | G76 F368 | G74-G76 PolarHBondContact O-N 3.42Å; G74-F368 VanDerWaalsContact O-CA 3.23Å; G74-F368 WeakPolarHBondContact O-CA 3.3Å; G74-F368 WeakPolarHBondContact O-CD2 3.49Å; G74-F368 PolarHBondContact O-N 3.04Å |
| 75 | T | 76.4 | Confident | 89.7 | Confident | 8 Ų | 8 | 12.7 Ų | 12.7 | 5% | 0.049 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -76.6 | 6.9 | 176.8 | 55.7 | 0 | 0 | 0 | 0 | 115.1 | S51 A71 K72 S73 | S51-T75 PolarHBondContact OG-O 3.36Å; A71-T75 WeakPolarHBondContact CB-OG1 3.19Å; K72-T75 HydrophobicContact CB-CG2 3.86Å; K72-T75 WeakPolarHBondContact O-CB 3.4Å; K72-T75 VanDerWaalsContact O-CG2 3.31Å; K72-T75 WeakPolarHBondContact O-CG2 3.35Å; K72-T75 PolarHBondContact O-N 3.12Å; K72-T75 PolarHBondContact O-OG1 3.2Å; S73-T75 VanDerWaalsContact C-N 3.35Å; S73-T75 PolarHBondContact O-N 3.15Å |
| 76 | G | 84 | Confident | 90.1 | Very high | 21 Ų | 21 | 9.9 Ų | 9.9 | 22% | 0.216 | 6% | 0.063 | C | C | . | . | trans | 83.5 | 18.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q54 G74 T78 C79 | Q54-G76 PolarHBondContact NE2-O 3.22Å; G74-G76 PolarHBondContact O-N 3.42Å; G76-T78 PolarHBondContact O-N 3.01Å; G76-T78 VanDerWaalsContact O-N 3.09Å; G76-C79 WeakPolarHBondContact O-CB 3.27Å; G76-C79 PolarHBondContact O-N 2.7Å | ||
| 77 | K | 90.7 | Very high | 90.2 | Very high | 16 Ų | 16 | 10.8 Ų | 10.8 | 7% | 0.07 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -43.4 | -41.6 | 175.2 | -70.7 | -160.6 | -62.8 | -77.8 | 0 | 114.4 | A71 C79 V80 L207 S208 | A71-K77 HydrophobicContact CB-CD 4.2Å; A71-K77 HydrophobicContact CB-CG 4.06Å; A71-K77 PolarHBondContact O-NZ 2.88Å; K77-C79 VanDerWaalsContact C-N 3.27Å; K77-C79 PolarHBondContact O-N 3.31Å; K77-V80 VanDerWaalsContact O-CB 3.24Å; K77-V80 WeakPolarHBondContact O-CB 3.42Å; K77-V80 WeakPolarHBondContact O-CG2 3.29Å; K77-V80 PolarHBondContact O-N 3.18Å; K77-L207 HydrophobicContact CB-CD2 4.11Å; K77-L207 HydrophobicContact CD-CB 4.4Å; K77-S208 WeakPolarHBondContact CD-O 3.46Å; K77-S208 VanDerWaalsContact CE-C 3.49Å; K77-S208 WeakPolarHBondContact CE-O 3.36Å; K77-S208 PolarHBondContact NZ-O 2.89Å |
| 78 | T | 93.3 | Very high | 89.9 | Confident | 42 Ų | 42 | 13.6 Ų | 13.6 | 26% | 0.258 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -58.5 | -36.2 | -179.4 | -46.4 | 0 | 0 | 0 | 0 | 113 | G76 V80 F81 V82 I111 V114 | G76-T78 PolarHBondContact O-N 3.01Å; G76-T78 VanDerWaalsContact O-N 3.09Å; T78-V80 VanDerWaalsContact C-N 3.27Å; T78-V80 PolarHBondContact O-N 3.29Å; T78-F81 HydrophobicContact CG2-CE1 4.36Å; T78-F81 HydrophobicContact CG2-CE2 4.34Å; T78-F81 HydrophobicContact CG2-CZ 3.85Å; T78-V82 HydrophobicContact CG2-CG2 4.22Å; T78-V82 WeakPolarHBondContact O-CB 3.43Å; T78-V82 WeakPolarHBondContact O-CG2 3.32Å; T78-V82 PolarHBondContact O-N 3.07Å; T78-V82 VanDerWaalsContact O-N 3.16Å; T78-I111 HydrophobicContact CG2-CG1 4.12Å; T78-V114 HydrophobicContact CG2-CB 4.21Å; T78-V114 HydrophobicContact CG2-CG1 4.21Å; T78-V114 HydrophobicContact CG2-CG2 4.24Å |
| 79 | C | 93.9 | Very high | 89.7 | Confident | 4 Ų | 4 | 14.1 Ų | 14.1 | 3% | 0.027 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.4 | -31.4 | 176.7 | -166.5 | 0 | 0 | 0 | 0 | 111.9 | Q54 G76 K77 T83 | Q54-C79 HydrophobicContact CG-CB 4.45Å; Q54-C79 VanDerWaalsContact NE2-CB 3.34Å; G76-C79 WeakPolarHBondContact O-CB 3.27Å; G76-C79 PolarHBondContact O-N 2.7Å; K77-C79 VanDerWaalsContact C-N 3.27Å; K77-C79 PolarHBondContact O-N 3.31Å; C79-T83 WeakPolarHBondContact O-CB 3.23Å; C79-T83 PolarHBondContact O-N 3.25Å; C79-T83 PolarHBondContact O-OG1 2.94Å |
| 80 | V | 94.9 | Very high | 89.5 | Confident | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57.2 | -61.3 | -179.1 | -177.9 | 0 | 0 | 0 | 0 | 110.5 | Q54 A57 I58 K77 T78 T83 I84 L207 | Q54-V80 HydrophobicContact CB-CG2 4.43Å; Q54-V80 HydrophobicContact CG-CG2 3.69Å; A57-V80 HydrophobicContact CB-CG1 3.56Å; I58-V80 HydrophobicContact CG1-CB 4.45Å; I58-V80 HydrophobicContact CG1-CG1 4.11Å; K77-V80 VanDerWaalsContact O-CB 3.24Å; K77-V80 WeakPolarHBondContact O-CB 3.42Å; K77-V80 WeakPolarHBondContact O-CG2 3.29Å; K77-V80 PolarHBondContact O-N 3.18Å; T78-V80 VanDerWaalsContact C-N 3.27Å; T78-V80 PolarHBondContact O-N 3.29Å; V80-T83 PolarHBondContact O-N 3.16Å; V80-I84 HydrophobicContact CG1-CD1 3.88Å; V80-I84 WeakPolarHBondContact O-CD1 3.49Å; V80-I84 VanDerWaalsContact O-CG1 3.29Å; V80-I84 WeakPolarHBondContact O-CG1 3.48Å; V80-I84 PolarHBondContact O-N 3.05Å; V80-I84 VanDerWaalsContact O-N 3.08Å; V80-L207 HydrophobicContact CB-CD2 4.45Å |
| 81 | F | 96.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -75.2 | -25.9 | -176.9 | 65 | -102.7 | 0 | 0 | 0 | 113.3 | T78 A85 I100 I111 V174 D176 L205 L207 | T78-F81 HydrophobicContact CG2-CE1 4.36Å; T78-F81 HydrophobicContact CG2-CE2 4.34Å; T78-F81 HydrophobicContact CG2-CZ 3.85Å; F81-A85 WeakPolarHBondContact O-CB 3.41Å; F81-A85 PolarHBondContact O-N 3.48Å; F81-I100 HydrophobicContact CD2-CD1 4.01Å; F81-I100 HydrophobicContact CD2-CG2 4.48Å; F81-I100 HydrophobicContact CE2-CD1 3.98Å; F81-I100 HydrophobicContact CE2-CG2 3.89Å; F81-I100 HydrophobicContact CZ-CG2 4.46Å; F81-I111 HydrophobicContact CE2-CD1 4.21Å; F81-I111 HydrophobicContact CE2-CG1 4.32Å; F81-I111 HydrophobicContact CE2-CG2 3.89Å; F81-I111 HydrophobicContact CZ-CD1 3.84Å; F81-I111 HydrophobicContact CZ-CG1 4.01Å; F81-I111 HydrophobicContact CZ-CG2 4.43Å; F81-V174 HydrophobicContact CB-CG1 3.87Å; F81-V174 HydrophobicContact CB-CG2 4.37Å; F81-V174 HydrophobicContact CD1-CG1 4.1Å; F81-V174 HydrophobicContact CD2-CG1 3.82Å; F81-V174 HydrophobicContact CE1-CG1 4.5Å; F81-V174 HydrophobicContact CE2-CG1 4.29Å; F81-V174 HydrophobicContact CG-CG1 3.7Å; F81-D176 HydrophobicContact CE1-CB 3.89Å; F81-D176 HydrophobicContact CZ-CB 3.86Å; F81-L205 HydrophobicContact CB-CD1 3.84Å; F81-L207 HydrophobicContact CB-CD1 4.09Å; F81-L207 HydrophobicContact CD1-CD1 3.47Å; F81-L207 VanDerWaalsContact CD1-CD1 3.47Å; F81-L207 HydrophobicContact CD1-CD2 3.7Å; F81-L207 HydrophobicContact CD1-CG 4.15Å; F81-L207 HydrophobicContact CE1-CD1 4.13Å; F81-L207 HydrophobicContact CE1-CD2 4.35Å; F81-L207 HydrophobicContact CG-CD1 4.11Å |
| 82 | V | 97.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.9 | -41.8 | 173.3 | 170.9 | 0 | 0 | 0 | 0 | 111 | T78 A85 L86 V114 V115 I118 | T78-V82 HydrophobicContact CG2-CG2 4.22Å; T78-V82 WeakPolarHBondContact O-CB 3.43Å; T78-V82 WeakPolarHBondContact O-CG2 3.32Å; T78-V82 PolarHBondContact O-N 3.07Å; T78-V82 VanDerWaalsContact O-N 3.16Å; V82-A85 PolarHBondContact O-N 3.1Å; V82-L86 HydrophobicContact CG1-CD1 3.71Å; V82-L86 HydrophobicContact CG1-CG 4.3Å; V82-L86 WeakPolarHBondContact O-CB 3.35Å; V82-L86 VanDerWaalsContact O-CG 3.28Å; V82-L86 WeakPolarHBondContact O-CG 3.34Å; V82-L86 PolarHBondContact O-N 3.27Å; V82-V114 HydrophobicContact CB-CG1 4.39Å; V82-V114 HydrophobicContact CG1-CG1 4.27Å; V82-V114 HydrophobicContact CG2-CG1 4.2Å; V82-V115 HydrophobicContact CB-CG2 4.4Å; V82-V115 HydrophobicContact CG1-CB 4.36Å; V82-V115 HydrophobicContact CG1-CG2 3.9Å; V82-V115 HydrophobicContact CG2-CG2 3.65Å; V82-I118 HydrophobicContact CG1-CB 4.23Å; V82-I118 HydrophobicContact CG1-CD1 3.93Å |
| 83 | T | 96.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.3 | -47.6 | 175.1 | -63.6 | 0 | 0 | 0 | 0 | 111.2 | L34 V38 I58 C79 V80 A85 L86 D87 | L34-T83 HydrophobicContact CD1-CG2 3.64Å; L34-T83 HydrophobicContact CD2-CG2 3.44Å; L34-T83 VanDerWaalsContact CD2-CG2 3.44Å; L34-T83 HydrophobicContact CG-CG2 4.21Å; V38-T83 HydrophobicContact CG1-CG2 4.05Å; I58-T83 HydrophobicContact CD1-CG2 4.11Å; I58-T83 HydrophobicContact CG2-CG2 3.94Å; C79-T83 WeakPolarHBondContact O-CB 3.23Å; C79-T83 PolarHBondContact O-N 3.25Å; C79-T83 PolarHBondContact O-OG1 2.94Å; V80-T83 PolarHBondContact O-N 3.16Å; T83-A85 VanDerWaalsContact C-N 3.34Å; T83-A85 PolarHBondContact O-N 3.07Å; T83-L86 PolarHBondContact O-N 3.16Å; T83-D87 VanDerWaalsContact O-CB 3.3Å; T83-D87 WeakPolarHBondContact O-CB 3.19Å; T83-D87 PolarHBondContact O-N 3.2Å |
| 84 | I | 95.4 | Very high | 90.6 | Very high | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.015 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.4 | -44.9 | 175.3 | -62.9 | 157 | 0 | 0 | 0 | 110.8 | L67 V80 S88 L172 L205 | L67-I84 HydrophobicContact CD1-CD1 4.42Å; V80-I84 HydrophobicContact CG1-CD1 3.88Å; V80-I84 WeakPolarHBondContact O-CD1 3.49Å; V80-I84 VanDerWaalsContact O-CG1 3.29Å; V80-I84 WeakPolarHBondContact O-CG1 3.48Å; V80-I84 PolarHBondContact O-N 3.05Å; V80-I84 VanDerWaalsContact O-N 3.08Å; I84-S88 VanDerWaalsContact O-CB 3.32Å; I84-S88 WeakPolarHBondContact O-CB 3.16Å; I84-S88 PolarHBondContact O-N 3.19Å; I84-S88 VanDerWaalsContact O-N 3.12Å; I84-S88 PolarHBondContact O-OG 2.84Å; I84-L172 HydrophobicContact CG2-CD2 4.33Å; I84-L205 HydrophobicContact CB-CD1 4.4Å; I84-L205 HydrophobicContact CD1-CD1 3.92Å; I84-L205 HydrophobicContact CG2-CD1 4.21Å |
| 85 | A | 96.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.4 | -52.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F81 V82 T83 S88 L89 V98 I148 L172 | F81-A85 WeakPolarHBondContact O-CB 3.41Å; F81-A85 PolarHBondContact O-N 3.48Å; V82-A85 PolarHBondContact O-N 3.1Å; T83-A85 VanDerWaalsContact C-N 3.34Å; T83-A85 PolarHBondContact O-N 3.07Å; A85-S88 PolarHBondContact O-N 3.2Å; A85-S88 PolarHBondContact O-OG 2.74Å; A85-L89 PolarHBondContact O-N 2.7Å; A85-V98 HydrophobicContact CB-CG1 3.95Å; A85-V98 HydrophobicContact CB-CG2 4.13Å; A85-I148 HydrophobicContact CB-CD1 4.47Å; A85-L172 HydrophobicContact CB-CD2 3.76Å |
| 86 | L | 96.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.9 | -43.1 | -178.2 | -70.6 | 170 | 0 | 0 | 0 | 111.9 | V38 V82 T83 S88 L89 V115 I118 M122 L125 I148 | V38-L86 HydrophobicContact CG2-CB 3.95Å; V82-L86 HydrophobicContact CG1-CD1 3.71Å; V82-L86 HydrophobicContact CG1-CG 4.3Å; V82-L86 WeakPolarHBondContact O-CB 3.35Å; V82-L86 VanDerWaalsContact O-CG 3.28Å; V82-L86 WeakPolarHBondContact O-CG 3.34Å; V82-L86 PolarHBondContact O-N 3.27Å; T83-L86 PolarHBondContact O-N 3.16Å; L86-S88 PolarHBondContact O-N 3.24Å; L86-L89 HydrophobicContact CD2-CD1 4.34Å; L86-L89 PolarHBondContact O-N 3.47Å; L86-V115 HydrophobicContact CD2-CG1 4.2Å; L86-I118 HydrophobicContact CD1-CB 3.8Å; L86-I118 HydrophobicContact CD1-CG2 3.6Å; L86-M122 HydrophobicContact CB-SD 3.93Å; L86-M122 HydrophobicContact CD2-SD 3.78Å; L86-M122 HydrophobicContact CG-SD 4.33Å; L86-M122 WeakPolarHBondContact O-CE 3.4Å; L86-L125 HydrophobicContact CD2-CD1 4.17Å; L86-L125 HydrophobicContact CD2-CD2 3.66Å; L86-I148 HydrophobicContact CD2-CD1 3.88Å |
| 87 | D | 92.3 | Very high | 93 | Very high | 37 Ų | 37 | 32.6 Ų | 32.6 | 20% | 0.198 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.3 | -18.4 | 179.7 | -157.6 | 74.1 | 0 | 0 | 0 | 113 | L34 S35 V38 R62 T83 | L34-D87 HydrophobicContact CD2-CB 4.37Å; S35-D87 VanDerWaalsContact CB-OD1 3.23Å; S35-D87 WeakPolarHBondContact CB-OD1 3.22Å; S35-D87 PolarHBondContact N-OD1 3.22Å; S35-D87 PolarHBondContact OG-OD1 3.35Å; V38-D87 HydrophobicContact CG2-CB 4.42Å; R62-D87 IonicContact CZ-OD2 3.98Å; R62-D87 IonicContact NE-OD2 3.18Å; R62-D87 PolarHBondContact NE-OD2 2.81Å; R62-D87 IonicContact NH2-OD1 3.88Å; R62-D87 IonicContact NH2-OD2 3.6Å; R62-D87 PolarHBondContact NH2-OD2 3.28Å; T83-D87 VanDerWaalsContact O-CB 3.3Å; T83-D87 WeakPolarHBondContact O-CB 3.19Å; T83-D87 PolarHBondContact O-N 3.2Å |
| 88 | S | 88.2 | Confident | 93.4 | Very high | 59 Ų | 59 | 31.9 Ų | 31.9 | 41% | 0.413 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -3.6 | 175.4 | 74.6 | 0 | 0 | 0 | 0 | 115.5 | I84 A85 L86 | I84-S88 VanDerWaalsContact O-CB 3.32Å; I84-S88 WeakPolarHBondContact O-CB 3.16Å; I84-S88 PolarHBondContact O-N 3.19Å; I84-S88 VanDerWaalsContact O-N 3.12Å; I84-S88 PolarHBondContact O-OG 2.84Å; A85-S88 PolarHBondContact O-N 3.2Å; A85-S88 PolarHBondContact O-OG 2.74Å; L86-S88 PolarHBondContact O-N 3.24Å |
| 89 | L | 89.3 | Confident | 93.6 | Very high | 21 Ų | 21 | 29.9 Ų | 29.9 | 11% | 0.11 | 17% | 0.165 | C | C | . | . | trans | -81.1 | 142 | -173.9 | -79.8 | -176 | 0 | 0 | 0 | 114.1 | A85 L86 L91 Q97 V98 M122 L125 H147 I148 | A85-L89 PolarHBondContact O-N 2.7Å; L86-L89 HydrophobicContact CD2-CD1 4.34Å; L86-L89 PolarHBondContact O-N 3.47Å; L89-L91 HydrophobicContact CB-CD2 4.49Å; L89-L91 HydrophobicContact CD1-CD2 4.22Å; L89-Q97 HydrophobicContact CD2-CB 3.86Å; L89-V98 HydrophobicContact CD2-CG2 3.91Å; L89-M122 HydrophobicContact CB-CE 4.44Å; L89-L125 HydrophobicContact CD1-CD1 3.42Å; L89-L125 VanDerWaalsContact CD1-CD1 3.42Å; L89-H147 HydrophobicContact CD1-CB 4.05Å; L89-H147 HydrophobicContact CD2-CB 4Å; L89-I148 HydrophobicContact CD1-CD1 3.9Å; L89-I148 HydrophobicContact CD1-CG1 3.97Å; L89-I148 HydrophobicContact CD2-CG1 4.32Å | ||
| 90 | I | 89.2 | Confident | 93.8 | Very high | 100 Ų | 100 | 29.7 Ų | 29.7 | 51% | 0.513 | 16% | 0.164 | S | C | . | . | trans | -106.3 | 104.6 | 164.2 | -57.9 | 175.4 | 0 | 0 | 0 | 107.6 | E92 N93 Q97 | I90-E92 VanDerWaalsContact C-N 3.28Å; I90-E92 HydrophobicContact CG2-CB 4.38Å; I90-E92 WeakPolarHBondContact CG2-OE2 3.28Å; I90-E92 PolarHBondContact O-N 3.35Å; I90-N93 HydrophobicContact CG2-CB 4.36Å; I90-N93 PolarHBondContact O-N 2.84Å; I90-Q97 PolarHBondContact O-NE2 3.47Å | ||
| 91 | L | 90.1 | Very high | 94 | Very high | 46 Ų | 46 | 29.7 Ų | 29.7 | 24% | 0.241 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -20 | -172 | -64.8 | 174.7 | 0 | 0 | 0 | 113.4 | L89 N93 M122 L125 H147 | L89-L91 HydrophobicContact CB-CD2 4.49Å; L89-L91 HydrophobicContact CD1-CD2 4.22Å; L91-N93 PolarHBondContact O-N 3.09Å; L91-M122 HydrophobicContact CD1-CB 4.1Å; L91-M122 HydrophobicContact CD1-CE 4.09Å; L91-M122 HydrophobicContact CD2-CE 4.22Å; L91-M122 HydrophobicContact CG-CE 4.31Å; L91-L125 HydrophobicContact CD2-CB 4.22Å; L91-L125 HydrophobicContact CD2-CD1 4.01Å; L91-H147 PolarHBondContact O-NE2 3.24Å |
| 92 | E | 89.9 | Confident | 93.9 | Very high | 161 Ų | 161 | 29.7 Ų | 29.7 | 75% | 0.752 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -20.9 | 175.8 | -59.6 | 70.1 | -154.8 | 0 | 0 | 111.6 | I90 P94 | I90-E92 VanDerWaalsContact C-N 3.28Å; I90-E92 HydrophobicContact CG2-CB 4.38Å; I90-E92 WeakPolarHBondContact CG2-OE2 3.28Å; I90-E92 PolarHBondContact O-N 3.35Å; E92-P94 WeakPolarHBondContact O-CD 3.4Å |
| 93 | N | 86.4 | Confident | 93.6 | Very high | 54 Ų | 54 | 30.1 Ų | 30.1 | 29% | 0.289 | 17% | 0.167 | S | C | . | . | trans | -98.3 | 103.5 | 178.8 | 178.8 | 5.6 | 0 | 0 | 0 | 110.7 | I90 L91 S95 Q97 H147 | I90-N93 HydrophobicContact CG2-CB 4.36Å; I90-N93 PolarHBondContact O-N 2.84Å; L91-N93 PolarHBondContact O-N 3.09Å; N93-S95 PolarHBondContact O-N 3.05Å; N93-S95 WeakPolarHBondContact OD1-CB 3.38Å; N93-S95 PolarHBondContact OD1-N 3.25Å; N93-S95 PolarHBondContact OD1-OG 3.13Å; N93-Q97 PolarHBondContact O-NE2 2.85Å; N93-H147 PolarHBondContact O-CD2 2.99Å | ||
| 94 | P | 90.8 | Very high | 93.2 | Very high | 68 Ų | 68 | 30.9 Ų | 30.9 | 44% | 0.442 | 17% | 0.172 | S | C | . | . | trans | -68.7 | -2.3 | -175 | 30.8 | -38.3 | 0 | 0 | 0 | 114.7 | E92 K145 C146 | E92-P94 WeakPolarHBondContact O-CD 3.4Å; P94-K145 HydrophobicContact CB-CB 4.37Å; P94-K145 HydrophobicContact CB-CG 3.81Å; P94-C146 PolarHBondContact O-N 3.21Å | ||
| 95 | S | 92.5 | Very high | 92.9 | Very high | 45 Ų | 45 | 34.4 Ų | 34.4 | 32% | 0.315 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -78.1 | 155.8 | -177.9 | -45.5 | 0 | 0 | 0 | 0 | 112.4 | N93 Q97 C146 S169 | N93-S95 PolarHBondContact O-N 3.05Å; N93-S95 WeakPolarHBondContact OD1-CB 3.38Å; N93-S95 PolarHBondContact OD1-N 3.25Å; N93-S95 PolarHBondContact OD1-OG 3.13Å; S95-Q97 PolarHBondContact O-N 3.02Å; S95-Q97 PolarHBondContact O-NE2 3.27Å; S95-C146 CarbonylContact C-O 3.44Å; S95-S169 WeakPolarHBondContact CB-OG 3.42Å |
| 96 | T | 96.9 | Very high | 92.4 | Very high | 10 Ų | 10 | 34.8 Ų | 34.8 | 6% | 0.061 | 19% | 0.186 | C | C | . | . | trans | -70.8 | 116.1 | 176.9 | -52.2 | 0 | 0 | 0 | 0 | 111.6 | V98 C146 A149 L165 S169 I170 | T96-V98 WeakPolarHBondContact CG2-O 3.43Å; T96-C146 WeakPolarHBondContact CA-O 3.31Å; T96-C146 WeakPolarHBondContact CB-O 2.88Å; T96-C146 PolarHBondContact N-O 3.47Å; T96-C146 VanDerWaalsContact N-O 3.16Å; T96-C146 PolarHBondContact OG1-O 3.16Å; T96-A149 HydrophobicContact CG2-CB 3.69Å; T96-L165 HydrophobicContact CG2-CD1 4.24Å; T96-S169 CarbonylContact O-C 3.19Å; T96-S169 WeakPolarHBondContact O-CB 3.33Å; T96-I170 HydrophobicContact CG2-CD1 4.47Å; T96-I170 HydrophobicContact CG2-CG1 4.22Å; T96-I170 WeakPolarHBondContact O-CG1 3.32Å; T96-I170 PolarHBondContact O-N 3.15Å | ||
| 97 | Q | 95.9 | Very high | 92.1 | Very high | 17 Ų | 17 | 35.1 Ų | 35.1 | 8% | 0.079 | 19% | 0.188 | C | C | . | . | trans | -105 | -29.4 | -177.8 | -70.3 | 164.2 | 67.5 | 0 | 0 | 111.5 | L89 I90 N93 S95 H147 I170 R171 L172 | L89-Q97 HydrophobicContact CD2-CB 3.86Å; I90-Q97 PolarHBondContact O-NE2 3.47Å; N93-Q97 PolarHBondContact O-NE2 2.85Å; S95-Q97 PolarHBondContact O-N 3.02Å; S95-Q97 PolarHBondContact O-NE2 3.27Å; Q97-H147 PolarHBondContact N-O 3.23Å; Q97-I170 CarbonylContact O-C 3.54Å; Q97-I170 WeakPolarHBondContact O-CA 3.32Å; Q97-R171 PolarHBondContact O-N 2.82Å; Q97-L172 PolarHBondContact O-N 2.92Å | ||
| 98 | V | 98.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 133.3 | 179 | -172.2 | 0 | 0 | 0 | 0 | 110.3 | A85 L89 T96 I100 H147 I148 A149 L172 | A85-V98 HydrophobicContact CB-CG1 3.95Å; A85-V98 HydrophobicContact CB-CG2 4.13Å; L89-V98 HydrophobicContact CD2-CG2 3.91Å; T96-V98 WeakPolarHBondContact CG2-O 3.43Å; V98-I100 HydrophobicContact CG1-CD1 4.26Å; V98-I100 HydrophobicContact CG1-CG1 3.87Å; V98-H147 PolarHBondContact N-O 2.95Å; V98-H147 VanDerWaalsContact N-O 3.16Å; V98-I148 HydrophobicContact CB-CB 4.42Å; V98-I148 HydrophobicContact CB-CG1 4.05Å; V98-I148 HydrophobicContact CB-CG2 4.22Å; V98-I148 HydrophobicContact CG1-CG2 4.31Å; V98-I148 HydrophobicContact CG2-CG1 4.18Å; V98-A149 PolarHBondContact O-N 3.27Å; V98-L172 WeakPolarHBondContact CA-O 3.16Å; V98-L172 HydrophobicContact CB-CB 4.49Å; V98-L172 HydrophobicContact CG1-CB 4.14Å; V98-L172 HydrophobicContact CG1-CD2 3.91Å; V98-L172 HydrophobicContact CG1-CG 4.08Å; V98-L172 HydrophobicContact CG2-CB 4.19Å; V98-L172 HydrophobicContact CG2-CD2 4.26Å |
| 99 | L | 98.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 122.3 | 171 | 173.5 | 62.6 | 0 | 0 | 0 | 110.5 | L101 A149 I156 I170 L172 F173 V174 I194 L198 | L99-L101 HydrophobicContact CD1-CD2 4.13Å; L99-L101 HydrophobicContact CG-CD2 4.31Å; L99-A149 WeakPolarHBondContact CA-O 3.49Å; L99-A149 HydrophobicContact CD1-CB 4.02Å; L99-I156 HydrophobicContact CD1-CD1 3.86Å; L99-I156 HydrophobicContact CD1-CG1 4.18Å; L99-I156 HydrophobicContact CD1-CG2 3.92Å; L99-I156 HydrophobicContact CD2-CG2 4.05Å; L99-I170 HydrophobicContact CB-CD1 3.96Å; L99-I170 HydrophobicContact CB-CG2 4.25Å; L99-I170 HydrophobicContact CD2-CD1 4.21Å; L99-L172 PolarHBondContact N-O 3.17Å; L99-F173 HydrophobicContact CB-CD2 4.21Å; L99-F173 HydrophobicContact CD2-CD2 3.95Å; L99-F173 HydrophobicContact CD2-CE2 3.83Å; L99-F173 HydrophobicContact CG-CD2 4.03Å; L99-F173 HydrophobicContact CG-CE2 4.13Å; L99-F173 WeakPolarHBondContact O-CA 3.22Å; L99-V174 PolarHBondContact O-N 3.11Å; L99-I194 HydrophobicContact CD2-CG2 3.91Å; L99-L198 HydrophobicContact CD2-CD1 4.48Å; L99-L198 HydrophobicContact CD2-CD2 4.04Å |
| 100 | I | 98.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 119.1 | -179.5 | -47.4 | -177.2 | 0 | 0 | 0 | 109.6 | F81 V98 I111 I148 A149 V150 G151 V174 | F81-I100 HydrophobicContact CD2-CD1 4.01Å; F81-I100 HydrophobicContact CD2-CG2 4.48Å; F81-I100 HydrophobicContact CE2-CD1 3.98Å; F81-I100 HydrophobicContact CE2-CG2 3.89Å; F81-I100 HydrophobicContact CZ-CG2 4.46Å; V98-I100 HydrophobicContact CG1-CD1 4.26Å; V98-I100 HydrophobicContact CG1-CG1 3.87Å; I100-I111 HydrophobicContact CD1-CG2 4.03Å; I100-I111 HydrophobicContact CG2-CD1 3.92Å; I100-I111 HydrophobicContact CG2-CG2 4.18Å; I100-I148 HydrophobicContact CD1-CG2 3.93Å; I100-I148 HydrophobicContact CG1-CG2 4.31Å; I100-A149 PolarHBondContact N-O 3.29Å; I100-V150 HydrophobicContact CB-CG1 4.33Å; I100-V150 HydrophobicContact CB-CG2 4.29Å; I100-V150 HydrophobicContact CD1-CG2 4.27Å; I100-V150 CarbonylContact O-C 3.59Å; I100-V150 WeakPolarHBondContact O-CA 3.16Å; I100-G151 PolarHBondContact O-N 2.89Å; I100-V174 HydrophobicContact CB-CB 4.3Å; I100-V174 HydrophobicContact CG1-CB 4.12Å; I100-V174 HydrophobicContact CG1-CG2 4.25Å; I100-V174 HydrophobicContact CG2-CB 4.01Å; I100-V174 HydrophobicContact CG2-CG1 4.1Å |
| 101 | L | 98 | Very high | 92.6 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 140.1 | 174.7 | -58.4 | -172.8 | 0 | 0 | 0 | 111.2 | L99 G151 P153 I156 F173 V174 L175 D176 L181 I191 I194 | L99-L101 HydrophobicContact CD1-CD2 4.13Å; L99-L101 HydrophobicContact CG-CD2 4.31Å; L101-G151 WeakPolarHBondContact CA-O 3.46Å; L101-P153 HydrophobicContact CB-CG 4.49Å; L101-P153 HydrophobicContact CD1-CG 4.35Å; L101-I156 HydrophobicContact CD2-CB 4.05Å; L101-I156 HydrophobicContact CD2-CG1 3.75Å; L101-I156 HydrophobicContact CD2-CG2 4.11Å; L101-F173 HydrophobicContact CD1-CE2 3.69Å; L101-F173 HydrophobicContact CD1-CZ 3.67Å; L101-F173 HydrophobicContact CG-CE2 3.85Å; L101-F173 HydrophobicContact CG-CZ 4.27Å; L101-V174 PolarHBondContact N-O 3.28Å; L101-L175 HydrophobicContact CB-CD2 3.94Å; L101-L175 HydrophobicContact CD1-CD2 3.87Å; L101-L175 HydrophobicContact CG-CD2 4.21Å; L101-D176 PolarHBondContact O-N 2.72Å; L101-D176 VanDerWaalsContact O-N 3.08Å; L101-L181 HydrophobicContact CB-CD1 4.28Å; L101-I191 HydrophobicContact CD1-CG1 4.03Å; L101-I194 HydrophobicContact CD1-CD1 4.1Å; L101-I194 HydrophobicContact CD2-CD1 4.45Å |
| 102 | A | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -137.7 | 142.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | T104 I107 A108 I111 G151 P153 | A102-T104 PolarHBondContact O-N 2.95Å; A102-I107 HydrophobicContact CB-CB 3.9Å; A102-I107 HydrophobicContact CB-CG2 3.56Å; A102-A108 HydrophobicContact CB-CB 4.31Å; A102-I111 HydrophobicContact CB-CD1 4.09Å; A102-G151 PolarHBondContact N-O 2.87Å; A102-P153 WeakPolarHBondContact O-CD 3.37Å | ||
| 103 | P | 91.3 | Very high | 93.1 | Very high | 10 Ų | 10 | 23.9 Ų | 23.9 | 7% | 0.065 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -75.1 | -24.5 | -172.1 | 28.2 | -34.6 | 0 | 0 | 0 | 113.2 | I107 D176 E177 K180 L181 F187 | P103-I107 HydrophobicContact CG-CD1 3.98Å; P103-D176 WeakPolarHBondContact CD-O 3.45Å; P103-E177 HydrophobicContact CG-CB 3.93Å; P103-K180 HydrophobicContact CB-CB 4.1Å; P103-K180 HydrophobicContact CB-CG 4.01Å; P103-K180 HydrophobicContact CG-CB 4.19Å; P103-K180 HydrophobicContact CG-CG 4.46Å; P103-L181 HydrophobicContact CB-CD2 3.97Å; P103-L181 HydrophobicContact CB-CG 4.13Å; P103-L181 HydrophobicContact CG-CG 4.37Å; P103-F187 HydrophobicContact CB-CD2 4.32Å; P103-F187 HydrophobicContact CB-CE2 4.02Å; P103-F187 WeakPolarHBondContact O-CE2 3.45Å |
| 104 | T | 88.6 | Confident | 93.5 | Very high | 16 Ų | 16 | 22.7 Ų | 22.7 | 10% | 0.098 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -120 | 152.6 | 174.8 | 77.6 | 0 | 0 | 0 | 0 | 111.7 | A102 E106 I107 A108 R336 | A102-T104 PolarHBondContact O-N 2.95Å; T104-E106 PolarHBondContact O-N 2.97Å; T104-I107 PolarHBondContact O-N 3.38Å; T104-I107 WeakPolarHBondContact OG1-CG1 3.4Å; T104-I107 PolarHBondContact OG1-N 2.77Å; T104-A108 PolarHBondContact O-N 2.89Å; T104-R336 HydrophobicContact CG2-CB 4.06Å; T104-R336 VanDerWaalsContact CG2-O 3.28Å; T104-R336 WeakPolarHBondContact CG2-O 3.4Å; T104-R336 PolarHBondContact OG1-O 2.79Å |
| 105 | R | 88.5 | Confident | 93.8 | Very high | 76 Ų | 76 | 19.4 Ų | 19.4 | 29% | 0.287 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -68.7 | -28.7 | -176.6 | -57.2 | 170 | -174.3 | 168.4 | 1.4 | 111.1 | A108 V109 I131 G132 | R105-A108 PolarHBondContact O-N 3.44Å; R105-V109 WeakPolarHBondContact O-CG2 3.41Å; R105-V109 PolarHBondContact O-N 3.08Å; R105-V109 VanDerWaalsContact O-N 3.14Å; R105-I131 HydrophobicContact CB-CB 4.07Å; R105-I131 HydrophobicContact CB-CD1 4.14Å; R105-I131 HydrophobicContact CB-CG2 3.85Å; R105-I131 HydrophobicContact CG-CB 3.97Å; R105-I131 HydrophobicContact CG-CG2 4.05Å; R105-G132 WeakPolarHBondContact CD-O 3.43Å; R105-G132 VanDerWaalsContact CZ-O 3.24Å; R105-G132 PolarHBondContact NE-O 3.45Å; R105-G132 VanDerWaalsContact NE-O 3.16Å; R105-G132 PolarHBondContact NH1-O 3.28Å |
| 106 | E | 86.7 | Confident | 94 | Very high | 9 Ų | 9 | 20.8 Ų | 20.8 | 4% | 0.042 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -71.6 | -38.5 | 178.4 | -66.3 | 66.1 | -149.1 | 0 | 0 | 111.5 | T104 Q110 Q310 R313 M317 | T104-E106 PolarHBondContact O-N 2.97Å; E106-Q110 VanDerWaalsContact O-CG 3.27Å; E106-Q110 WeakPolarHBondContact O-CG 3.25Å; E106-Q110 PolarHBondContact O-N 3.18Å; E106-Q110 VanDerWaalsContact O-N 3.09Å; E106-Q310 PolarHBondContact OE1-NE2 2.89Å; E106-R313 VanDerWaalsContact CD-NH2 3.26Å; E106-R313 IonicContact OE1-CZ 3.44Å; E106-R313 IonicContact OE1-NE 3.31Å; E106-R313 PolarHBondContact OE1-NE 2.88Å; E106-R313 IonicContact OE1-NH2 2.84Å; E106-R313 PolarHBondContact OE1-NH2 2.89Å; E106-R313 IonicContact OE2-CZ 2.73Å; E106-R313 IonicContact OE2-NE 2.7Å; E106-R313 IonicContact OE2-NH2 2.83Å; E106-R313 PolarHBondContact OE2-NH2 2.6Å; E106-M317 HydrophobicContact CG-CG 4.42Å |
| 107 | I | 89.5 | Confident | 93.8 | Very high | 7 Ų | 7 | 20.9 Ų | 20.9 | 4% | 0.036 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.8 | -46.9 | 169.6 | -63.7 | 167.6 | 0 | 0 | 0 | 110 | A102 P103 T104 V109 Q110 I111 E177 R336 | A102-I107 HydrophobicContact CB-CB 3.9Å; A102-I107 HydrophobicContact CB-CG2 3.56Å; P103-I107 HydrophobicContact CG-CD1 3.98Å; T104-I107 PolarHBondContact O-N 3.38Å; T104-I107 WeakPolarHBondContact OG1-CG1 3.4Å; T104-I107 PolarHBondContact OG1-N 2.77Å; I107-V109 VanDerWaalsContact C-N 3.29Å; I107-V109 PolarHBondContact O-N 3.26Å; I107-Q110 WeakPolarHBondContact O-CA 3.48Å; I107-Q110 WeakPolarHBondContact O-CB 3.38Å; I107-Q110 PolarHBondContact O-N 3.16Å; I107-I111 HydrophobicContact CG2-CD1 3.66Å; I107-I111 HydrophobicContact CG2-CG1 4.02Å; I107-I111 WeakPolarHBondContact O-CG1 3.41Å; I107-I111 PolarHBondContact O-N 3.09Å; I107-E177 HydrophobicContact CD1-CG 4.38Å; I107-R336 HydrophobicContact CD1-CB 4.45Å |
| 108 | A | 93.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57.9 | -39.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A102 T104 R105 H112 V129 I131 V150 | A102-A108 HydrophobicContact CB-CB 4.31Å; T104-A108 PolarHBondContact O-N 2.89Å; R105-A108 PolarHBondContact O-N 3.44Å; A108-H112 PolarHBondContact O-N 3.35Å; A108-V129 HydrophobicContact CB-CG1 4.09Å; A108-I131 HydrophobicContact CB-CG2 3.85Å; A108-V150 HydrophobicContact CB-CG1 4.08Å; A108-V150 WeakPolarHBondContact O-CG1 3.5Å |
| 109 | V | 91.8 | Very high | 93.7 | Very high | 42 Ų | 42 | 20.1 Ų | 20.1 | 26% | 0.255 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -67.4 | -38.4 | 173.4 | 172.7 | 0 | 0 | 0 | 0 | 111.8 | R105 I107 S113 V129 I131 L314 | R105-V109 WeakPolarHBondContact O-CG2 3.41Å; R105-V109 PolarHBondContact O-N 3.08Å; R105-V109 VanDerWaalsContact O-N 3.14Å; I107-V109 VanDerWaalsContact C-N 3.29Å; I107-V109 PolarHBondContact O-N 3.26Å; V109-S113 PolarHBondContact O-N 3.15Å; V109-S113 PolarHBondContact O-OG 3.33Å; V109-V129 HydrophobicContact CG2-CG1 4.01Å; V109-I131 HydrophobicContact CG2-CD1 4.22Å; V109-L314 HydrophobicContact CG2-CD2 4.31Å |
| 110 | Q | 90.2 | Very high | 93.5 | Very high | 29 Ų | 29 | 23.2 Ų | 23.2 | 14% | 0.136 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.4 | -44 | 178.4 | -74.2 | 163.5 | 16.6 | 0 | 0 | 112.6 | E106 I107 H112 S113 V114 G337 | E106-Q110 VanDerWaalsContact O-CG 3.27Å; E106-Q110 WeakPolarHBondContact O-CG 3.25Å; E106-Q110 PolarHBondContact O-N 3.18Å; E106-Q110 VanDerWaalsContact O-N 3.09Å; I107-Q110 WeakPolarHBondContact O-CA 3.48Å; I107-Q110 WeakPolarHBondContact O-CB 3.38Å; I107-Q110 PolarHBondContact O-N 3.16Å; Q110-H112 VanDerWaalsContact C-N 3.34Å; Q110-H112 PolarHBondContact O-N 3.39Å; Q110-S113 WeakPolarHBondContact O-CB 3.38Å; Q110-S113 PolarHBondContact O-N 3.32Å; Q110-S113 VanDerWaalsContact O-N 3.12Å; Q110-V114 WeakPolarHBondContact O-CG2 3.3Å; Q110-V114 PolarHBondContact O-N 3.14Å; Q110-G337 PolarHBondContact NE2-O 2.73Å; Q110-G337 PolarHBondContact OE1-O 2.78Å |
| 111 | I | 95 | Very high | 93.2 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -55.7 | -50.6 | 174.2 | -69.4 | 172.9 | 0 | 0 | 0 | 109.8 | T78 F81 I100 A102 I107 S113 V114 V115 V150 D176 | T78-I111 HydrophobicContact CG2-CG1 4.12Å; F81-I111 HydrophobicContact CE2-CD1 4.21Å; F81-I111 HydrophobicContact CE2-CG1 4.32Å; F81-I111 HydrophobicContact CE2-CG2 3.89Å; F81-I111 HydrophobicContact CZ-CD1 3.84Å; F81-I111 HydrophobicContact CZ-CG1 4.01Å; F81-I111 HydrophobicContact CZ-CG2 4.43Å; I100-I111 HydrophobicContact CD1-CG2 4.03Å; I100-I111 HydrophobicContact CG2-CD1 3.92Å; I100-I111 HydrophobicContact CG2-CG2 4.18Å; A102-I111 HydrophobicContact CB-CD1 4.09Å; I107-I111 HydrophobicContact CG2-CD1 3.66Å; I107-I111 HydrophobicContact CG2-CG1 4.02Å; I107-I111 WeakPolarHBondContact O-CG1 3.41Å; I107-I111 PolarHBondContact O-N 3.09Å; I111-S113 VanDerWaalsContact C-N 3.32Å; I111-S113 PolarHBondContact O-N 3.04Å; I111-V114 PolarHBondContact O-N 2.92Å; I111-V115 HydrophobicContact CG2-CG2 4.2Å; I111-V115 WeakPolarHBondContact O-CG2 3.33Å; I111-V115 PolarHBondContact O-N 3.23Å; I111-V150 HydrophobicContact CB-CG1 3.93Å; I111-V150 HydrophobicContact CD1-CG1 4.46Å; I111-V150 HydrophobicContact CG2-CG1 3.78Å; I111-V150 HydrophobicContact CG2-CG2 4.04Å; I111-D176 HydrophobicContact CD1-CB 4.03Å |
| 112 | H | 96 | Very high | 93 | Very high | 50 Ų | 50 | 26.1 Ų | 26.1 | 23% | 0.231 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.6 | -41.1 | 175.7 | 161.6 | -81.2 | 0 | 0 | 0 | 112.9 | A108 Q110 V114 V115 M116 C127 V129 | A108-H112 PolarHBondContact O-N 3.35Å; Q110-H112 VanDerWaalsContact C-N 3.34Å; Q110-H112 PolarHBondContact O-N 3.39Å; H112-V114 VanDerWaalsContact C-N 3.3Å; H112-V114 PolarHBondContact O-N 3.17Å; H112-V115 PolarHBondContact O-N 2.82Å; H112-M116 WeakPolarHBondContact O-CG 3.21Å; H112-M116 PolarHBondContact O-N 3.44Å; H112-C127 PolarHBondContact CD2-O 3.41Å; H112-C127 VanDerWaalsContact CD2-O 3.27Å; H112-C127 PolarHBondContact NE2-O 3.2Å; H112-V129 HydrophobicContact CB-CG2 3.23Å; H112-V129 VanDerWaalsContact CG-CG2 3.41Å |
| 113 | S | 93.2 | Very high | 92.9 | Very high | 67 Ų | 67 | 34.9 Ų | 34.9 | 47% | 0.469 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.7 | -35.8 | 174.1 | -69.1 | 0 | 0 | 0 | 0 | 113 | V109 Q110 I111 A117 | V109-S113 PolarHBondContact O-N 3.15Å; V109-S113 PolarHBondContact O-OG 3.33Å; Q110-S113 WeakPolarHBondContact O-CB 3.38Å; Q110-S113 PolarHBondContact O-N 3.32Å; Q110-S113 VanDerWaalsContact O-N 3.12Å; I111-S113 VanDerWaalsContact C-N 3.32Å; I111-S113 PolarHBondContact O-N 3.04Å; S113-A117 VanDerWaalsContact O-CB 3.29Å; S113-A117 WeakPolarHBondContact O-CB 3.4Å; S113-A117 PolarHBondContact O-N 2.93Å; S113-A117 VanDerWaalsContact O-N 3.14Å |
| 114 | V | 94.6 | Very high | 92.9 | Very high | 28 Ų | 28 | 36.6 Ų | 36.6 | 17% | 0.17 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -73.4 | -41.4 | 175.1 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | T78 V82 Q110 I111 H112 M116 A117 I118 | T78-V114 HydrophobicContact CG2-CB 4.21Å; T78-V114 HydrophobicContact CG2-CG1 4.21Å; T78-V114 HydrophobicContact CG2-CG2 4.24Å; V82-V114 HydrophobicContact CB-CG1 4.39Å; V82-V114 HydrophobicContact CG1-CG1 4.27Å; V82-V114 HydrophobicContact CG2-CG1 4.2Å; Q110-V114 WeakPolarHBondContact O-CG2 3.3Å; Q110-V114 PolarHBondContact O-N 3.14Å; I111-V114 PolarHBondContact O-N 2.92Å; H112-V114 VanDerWaalsContact C-N 3.3Å; H112-V114 PolarHBondContact O-N 3.17Å; V114-M116 PolarHBondContact O-N 3.5Å; V114-A117 PolarHBondContact O-N 3.31Å; V114-I118 HydrophobicContact CG1-CD1 3.68Å; V114-I118 HydrophobicContact CG1-CG1 4.3Å; V114-I118 WeakPolarHBondContact O-CG1 3.42Å; V114-I118 PolarHBondContact O-N 2.69Å |
| 115 | V | 97 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.2 | -48.9 | 174.1 | 173 | 0 | 0 | 0 | 0 | 111.2 | V82 L86 I111 H112 A117 G119 C127 I148 | V82-V115 HydrophobicContact CB-CG2 4.4Å; V82-V115 HydrophobicContact CG1-CB 4.36Å; V82-V115 HydrophobicContact CG1-CG2 3.9Å; V82-V115 HydrophobicContact CG2-CG2 3.65Å; L86-V115 HydrophobicContact CD2-CG1 4.2Å; I111-V115 HydrophobicContact CG2-CG2 4.2Å; I111-V115 WeakPolarHBondContact O-CG2 3.33Å; I111-V115 PolarHBondContact O-N 3.23Å; H112-V115 PolarHBondContact O-N 2.82Å; V115-A117 VanDerWaalsContact C-N 3.31Å; V115-A117 PolarHBondContact O-N 2.81Å; V115-G119 WeakPolarHBondContact O-CA 3.31Å; V115-G119 PolarHBondContact O-N 2.63Å; V115-C127 HydrophobicContact CB-CB 4.45Å; V115-C127 HydrophobicContact CG1-CB 3.65Å; V115-I148 HydrophobicContact CG1-CD1 3.63Å |
| 116 | M | 96.4 | Very high | 93.7 | Very high | 74 Ų | 74 | 35.6 Ų | 35.6 | 37% | 0.365 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -74.8 | -18.2 | -179.8 | -63.6 | -54.5 | -60.7 | 0 | 0 | 113.7 | H112 V114 L125 C127 | H112-M116 WeakPolarHBondContact O-CG 3.21Å; H112-M116 PolarHBondContact O-N 3.44Å; V114-M116 PolarHBondContact O-N 3.5Å; M116-L125 HydrophobicContact SD-CD2 4.47Å; M116-C127 HydrophobicContact CG-CB 4.38Å; M116-C127 HydrophobicContact SD-CB 3.68Å |
| 117 | A | 94.4 | Very high | 94.2 | Very high | 11 Ų | 11 | 35.3 Ų | 35.3 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -80.1 | -47 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A8 A45 S113 V114 V115 C120 | A8-A117 HydrophobicContact CB-CB 3.73Å; A45-A117 HydrophobicContact CB-CB 4.16Å; S113-A117 VanDerWaalsContact O-CB 3.29Å; S113-A117 WeakPolarHBondContact O-CB 3.4Å; S113-A117 PolarHBondContact O-N 2.93Å; S113-A117 VanDerWaalsContact O-N 3.14Å; V114-A117 PolarHBondContact O-N 3.31Å; V115-A117 VanDerWaalsContact C-N 3.31Å; V115-A117 PolarHBondContact O-N 2.81Å; A117-C120 WeakPolarHBondContact O-CB 3.41Å; A117-C120 PolarHBondContact O-N 2.65Å; A117-C120 PolarHBondContact O-SG 3.48Å; A117-C120 VanDerWaalsContact O-SG 3.35Å |
| 118 | I | 95.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -75.8 | -32.8 | 179.4 | -61.2 | 175.9 | 0 | 0 | 0 | 111.1 | V38 G41 L42 F47 V82 L86 V114 C120 | V38-I118 HydrophobicContact CG1-CG2 4.35Å; G41-I118 VanDerWaalsContact CA-O 3.27Å; G41-I118 WeakPolarHBondContact CA-O 3.38Å; L42-I118 HydrophobicContact CD2-CD1 3.95Å; L42-I118 HydrophobicContact CD2-CG1 4.17Å; L42-I118 HydrophobicContact CD2-CG2 3.88Å; L42-I118 HydrophobicContact CG-CG2 3.88Å; F47-I118 HydrophobicContact CD2-CD1 4.24Å; F47-I118 HydrophobicContact CD2-CG1 4.15Å; F47-I118 HydrophobicContact CE2-CD1 3.83Å; F47-I118 HydrophobicContact CE2-CG1 3.86Å; F47-I118 HydrophobicContact CZ-CD1 4.46Å; V82-I118 HydrophobicContact CG1-CB 4.23Å; V82-I118 HydrophobicContact CG1-CD1 3.93Å; L86-I118 HydrophobicContact CD1-CB 3.8Å; L86-I118 HydrophobicContact CD1-CG2 3.6Å; V114-I118 HydrophobicContact CG1-CD1 3.68Å; V114-I118 HydrophobicContact CG1-CG1 4.3Å; V114-I118 WeakPolarHBondContact O-CG1 3.42Å; V114-I118 PolarHBondContact O-N 2.69Å; I118-C120 PolarHBondContact O-N 3.4Å |
| 119 | G | 95.4 | Very high | 94.7 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 12.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | V115 A121 M122 | V115-G119 WeakPolarHBondContact O-CA 3.31Å; V115-G119 PolarHBondContact O-N 2.63Å; G119-A121 PolarHBondContact O-N 2.61Å; G119-A121 VanDerWaalsContact O-N 3.15Å; G119-M122 WeakPolarHBondContact O-CB 3.35Å; G119-M122 PolarHBondContact O-N 2.84Å |
| 120 | C | 94.6 | Very high | 94.9 | Very high | 65 Ų | 65 | 35.8 Ų | 35.8 | 44% | 0.439 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -12.9 | -168.5 | 76.1 | 0 | 0 | 0 | 0 | 115.3 | A117 I118 | A117-C120 WeakPolarHBondContact O-CB 3.41Å; A117-C120 PolarHBondContact O-N 2.65Å; A117-C120 PolarHBondContact O-SG 3.48Å; A117-C120 VanDerWaalsContact O-SG 3.35Å; I118-C120 PolarHBondContact O-N 3.4Å |
| 121 | A | 92.7 | Very high | 95.1 | Very high | 41 Ų | 41 | 34.6 Ų | 34.6 | 34% | 0.339 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | 0.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D40 G119 E123 | D40-A121 HydrophobicContact CB-CB 4.04Å; G119-A121 PolarHBondContact O-N 2.61Å; G119-A121 VanDerWaalsContact O-N 3.15Å; A121-E123 PolarHBondContact O-N 3.38Å |
| 122 | M | 93.3 | Very high | 94.8 | Very high | 21 Ų | 21 | 35.3 Ų | 35.3 | 10% | 0.103 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -90.1 | 92.1 | 177.2 | -63.7 | -179.9 | 80.3 | 0 | 0 | 109.7 | A37 V38 L86 L89 L91 G119 G124 L125 | A37-M122 HydrophobicContact CB-CG 3.83Å; V38-M122 HydrophobicContact CG2-SD 4.15Å; L86-M122 HydrophobicContact CB-SD 3.93Å; L86-M122 HydrophobicContact CD2-SD 3.78Å; L86-M122 HydrophobicContact CG-SD 4.33Å; L86-M122 WeakPolarHBondContact O-CE 3.4Å; L89-M122 HydrophobicContact CB-CE 4.44Å; L91-M122 HydrophobicContact CD1-CB 4.1Å; L91-M122 HydrophobicContact CD1-CE 4.09Å; L91-M122 HydrophobicContact CD2-CE 4.22Å; L91-M122 HydrophobicContact CG-CE 4.31Å; G119-M122 WeakPolarHBondContact O-CB 3.35Å; G119-M122 PolarHBondContact O-N 2.84Å; M122-G124 PolarHBondContact O-N 3.03Å; M122-L125 HydrophobicContact CB-CB 4.07Å; M122-L125 HydrophobicContact CB-CD2 4.3Å; M122-L125 VanDerWaalsContact O-CB 3.26Å; M122-L125 WeakPolarHBondContact O-CB 3.28Å; M122-L125 PolarHBondContact O-N 3.26Å |
| 123 | E | 92.4 | Very high | 94.3 | Very high | 183 Ų | 183 | 35.8 Ų | 35.8 | 86% | 0.855 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 133.2 | -178.4 | -66 | -159.5 | 164.8 | 0 | 0 | 112 | A121 L125 | A121-E123 PolarHBondContact O-N 3.38Å; E123-L125 VanDerWaalsContact C-N 3.28Å; E123-L125 PolarHBondContact O-N 3.12Å |
| 124 | G | 92.3 | Very high | 93.9 | Very high | 46 Ų | 46 | 37 Ų | 37 | 47% | 0.474 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 1.2 | 180 | 0 | 0 | 0 | 0 | 0 | 115.9 | M122 K145 H147 | M122-G124 PolarHBondContact O-N 3.03Å; G124-K145 WeakPolarHBondContact O-CE 3.41Å; G124-K145 PolarHBondContact O-NZ 2.83Å; G124-H147 PolarHBondContact O-CE1 3.35Å |
| 125 | L | 96 | Very high | 93.7 | Very high | 12 Ų | 12 | 38.9 Ų | 38.9 | 6% | 0.063 | 24% | 0.236 | C | C | . | . | trans | -53.5 | 144.2 | 170.2 | 177.9 | 65.2 | 0 | 0 | 0 | 111.9 | L86 L89 L91 M116 M122 E123 H147 | L86-L125 HydrophobicContact CD2-CD1 4.17Å; L86-L125 HydrophobicContact CD2-CD2 3.66Å; L89-L125 HydrophobicContact CD1-CD1 3.42Å; L89-L125 VanDerWaalsContact CD1-CD1 3.42Å; L91-L125 HydrophobicContact CD2-CB 4.22Å; L91-L125 HydrophobicContact CD2-CD1 4.01Å; M116-L125 HydrophobicContact SD-CD2 4.47Å; M122-L125 HydrophobicContact CB-CB 4.07Å; M122-L125 HydrophobicContact CB-CD2 4.3Å; M122-L125 VanDerWaalsContact O-CB 3.26Å; M122-L125 WeakPolarHBondContact O-CB 3.28Å; M122-L125 PolarHBondContact O-N 3.26Å; E123-L125 VanDerWaalsContact C-N 3.28Å; E123-L125 PolarHBondContact O-N 3.12Å; L125-H147 HydrophobicContact CD1-CB 4.47Å | ||
| 126 | E | 96.6 | Very high | 93.4 | Very high | 60 Ų | 60 | 40.3 Ų | 40.3 | 28% | 0.28 | 25% | 0.245 | S | C | . | . | trans | -138.5 | 117.9 | 176.4 | -57.6 | -70.9 | 176.7 | 0 | 0 | 108.7 | H128 K145 H147 I148 | E126-H128 IonicContact OE2-CE1 3.18Å; E126-H128 IonicContact OE2-NE2 3.66Å; E126-K145 WeakPolarHBondContact CB-O 3.41Å; E126-K145 HydrophobicContact CG-CD 3.66Å; E126-K145 VanDerWaalsContact CG-CE 3.42Å; E126-K145 HydrophobicContact CG-CG 3.91Å; E126-K145 VanDerWaalsContact CG-NZ 3.34Å; E126-K145 IonicContact OE1-NZ 2.7Å; E126-K145 PolarHBondContact OE1-NZ 3.33Å; E126-H147 PolarHBondContact N-ND1 2.9Å; E126-H147 PolarHBondContact O-N 3.14Å; E126-I148 PolarHBondContact O-N 2.97Å | ||
| 127 | C | 97.4 | Very high | 93.1 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.02 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 136.3 | 170.4 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | H112 V115 M116 I148 | H112-C127 PolarHBondContact CD2-O 3.41Å; H112-C127 VanDerWaalsContact CD2-O 3.27Å; H112-C127 PolarHBondContact NE2-O 3.2Å; V115-C127 HydrophobicContact CB-CB 4.45Å; V115-C127 HydrophobicContact CG1-CB 3.65Å; M116-C127 HydrophobicContact CG-CB 4.38Å; M116-C127 HydrophobicContact SD-CB 3.68Å; C127-I148 WeakPolarHBondContact CA-O 3.26Å; C127-I148 HydrophobicContact CB-CB 4.16Å |
| 128 | H | 97.3 | Very high | 92.9 | Very high | 27 Ų | 27 | 45.8 Ų | 45.8 | 13% | 0.125 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 147.2 | -175.1 | -63 | -33.6 | 0 | 0 | 0 | 112.8 | E126 F130 H142 K145 I148 V150 | E126-H128 IonicContact OE2-CE1 3.18Å; E126-H128 IonicContact OE2-NE2 3.66Å; H128-F130 HydrophobicContact CB-CE1 4.39Å; H128-F130 HydrophobicContact CB-CE2 3.84Å; H128-F130 HydrophobicContact CB-CZ 3.64Å; H128-H142 HydrophobicContact CB-CB 4.07Å; H128-H142 VanDerWaalsContact CD2-CB 3.41Å; H128-H142 WeakPolarHBondContact CD2-CB 3.2Å; H128-H142 PolarHBondContact CD2-O 3.28Å; H128-H142 PolarHBondContact NE2-O 3.12Å; H128-K145 PolarHBondContact NE2-O 3.36Å; H128-I148 PolarHBondContact N-O 3.24Å; H128-I148 VanDerWaalsContact N-O 3.1Å; H128-V150 PolarHBondContact O-N 3.46Å |
| 129 | V | 96.4 | Very high | 92.7 | Very high | 31 Ų | 31 | 46.2 Ų | 46.2 | 19% | 0.188 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 119 | -174.5 | -177.4 | 0 | 0 | 0 | 0 | 111.6 | A108 V109 H112 I131 V150 | A108-V129 HydrophobicContact CB-CG1 4.09Å; V109-V129 HydrophobicContact CG2-CG1 4.01Å; H112-V129 HydrophobicContact CB-CG2 3.23Å; H112-V129 VanDerWaalsContact CG-CG2 3.41Å; V129-I131 HydrophobicContact CG1-CD1 4.36Å; V129-I131 HydrophobicContact CG1-CG1 4.17Å; V129-I131 HydrophobicContact CG1-CG2 3.74Å; V129-V150 CarbonylContact C-O 3.56Å; V129-V150 WeakPolarHBondContact CA-O 3.18Å |
| 130 | F | 96.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 93.8 | -176.4 | -58.5 | -67.7 | 0 | 0 | 0 | 110.6 | H128 D139 H142 L143 A149 V150 G151 S152 R155 I156 L159 | H128-F130 HydrophobicContact CB-CE1 4.39Å; H128-F130 HydrophobicContact CB-CE2 3.84Å; H128-F130 HydrophobicContact CB-CZ 3.64Å; F130-D139 HydrophobicContact CD1-CB 3.89Å; F130-D139 HydrophobicContact CE1-CB 4Å; F130-H142 HydrophobicContact CE1-CB 4.14Å; F130-H142 HydrophobicContact CZ-CB 4.26Å; F130-L143 HydrophobicContact CE1-CD1 4.23Å; F130-L143 HydrophobicContact CE1-CD2 3.83Å; F130-L143 HydrophobicContact CE1-CG 3.73Å; F130-L143 HydrophobicContact CE2-CD2 4.06Å; F130-L143 HydrophobicContact CZ-CD2 3.45Å; F130-L143 VanDerWaalsContact CZ-CD2 3.45Å; F130-L143 HydrophobicContact CZ-CG 3.78Å; F130-A149 HydrophobicContact CD2-CB 4.02Å; F130-A149 HydrophobicContact CE2-CB 3.78Å; F130-V150 PolarHBondContact N-O 3.41Å; F130-G151 WeakPolarHBondContact O-CA 3.47Å; F130-S152 PolarHBondContact O-N 3.26Å; F130-S152 VanDerWaalsContact O-N 3.14Å; F130-R155 HydrophobicContact CB-CG 4.04Å; F130-I156 HydrophobicContact CB-CD1 3.77Å; F130-I156 HydrophobicContact CD2-CD1 4.03Å; F130-I156 HydrophobicContact CG-CD1 4.26Å; F130-L159 HydrophobicContact CB-CD1 3.73Å; F130-L159 HydrophobicContact CD1-CD1 3.49Å; F130-L159 VanDerWaalsContact CD1-CD1 3.49Å; F130-L159 HydrophobicContact CE1-CD1 4.25Å; F130-L159 HydrophobicContact CG-CD1 3.67Å |
| 131 | I | 93.8 | Very high | 92.3 | Very high | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | trans | -125.7 | 144.1 | -173.4 | 53.1 | 170.1 | 0 | 0 | 0 | 113.4 | R105 A108 V109 V129 R155 Q310 | R105-I131 HydrophobicContact CB-CB 4.07Å; R105-I131 HydrophobicContact CB-CD1 4.14Å; R105-I131 HydrophobicContact CB-CG2 3.85Å; R105-I131 HydrophobicContact CG-CB 3.97Å; R105-I131 HydrophobicContact CG-CG2 4.05Å; A108-I131 HydrophobicContact CB-CG2 3.85Å; V109-I131 HydrophobicContact CG2-CD1 4.22Å; V129-I131 HydrophobicContact CG1-CD1 4.36Å; V129-I131 HydrophobicContact CG1-CG1 4.17Å; V129-I131 HydrophobicContact CG1-CG2 3.74Å; I131-R155 PolarHBondContact O-NH1 2.85Å; I131-Q310 HydrophobicContact CD1-CG 4.13Å | ||
| 132 | G | 88.1 | Confident | 92.3 | Very high | 16 Ų | 16 | 54.7 Ų | 54.7 | 17% | 0.165 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 158.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R105 | R105-G132 WeakPolarHBondContact CD-O 3.43Å; R105-G132 VanDerWaalsContact CZ-O 3.24Å; R105-G132 PolarHBondContact NE-O 3.45Å; R105-G132 VanDerWaalsContact NE-O 3.16Å; R105-G132 PolarHBondContact NH1-O 3.28Å |
| 133 | G | 85.3 | Confident | 92.2 | Very high | 60 Ų | 60 | 55.1 Ų | 55.1 | 62% | 0.619 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.5 | -8.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 134 | R | 85.4 | Confident | 92 | Very high | 92 Ų | 92 | 54.9 Ų | 54.9 | 35% | 0.347 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -114.5 | 153 | 170.7 | -69.7 | -177.4 | 172.9 | 171.2 | -4.2 | 112.1 | V136 R155 D311 | R134-V136 PolarHBondContact O-N 3.29Å; R134-R155 PolarHBondContact O-NH1 3.41Å; R134-R155 PolarHBondContact O-NH2 2.91Å; R134-D311 IonicContact CZ-OD1 3.84Å; R134-D311 IonicContact NE-OD1 2.81Å; R134-D311 PolarHBondContact NE-OD1 3.36Å; R134-D311 IonicContact NH2-OD1 3.99Å; R134-D311 PolarHBondContact NH2-OD1 2.98Å |
| 135 | P | 89.7 | Confident | 92 | Very high | 68 Ų | 68 | 56.2 Ų | 56.2 | 44% | 0.442 | 31% | 0.306 | S | S | . | . | trans | -63 | 129.3 | -179.4 | -21.8 | 33.1 | 0 | 0 | 0 | 113.3 | S137 Q138 | P135-S137 PolarHBondContact O-N 3.02Å; P135-S137 VanDerWaalsContact O-N 3.1Å; P135-Q138 HydrophobicContact CB-CG 4.42Å; P135-Q138 WeakPolarHBondContact O-CB 3.37Å; P135-Q138 PolarHBondContact O-N 3.33Å | ||
| 136 | V | 92.3 | Very high | 92 | Very high | 30 Ų | 30 | 55.7 Ų | 55.7 | 18% | 0.182 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.1 | -24.7 | 179.5 | -173.6 | 0 | 0 | 0 | 0 | 112.7 | R134 Q138 D139 L159 L162 M164 | R134-V136 PolarHBondContact O-N 3.29Å; V136-Q138 PolarHBondContact O-N 2.95Å; V136-D139 WeakPolarHBondContact O-CB 3.31Å; V136-D139 PolarHBondContact O-N 3.39Å; V136-L159 HydrophobicContact CG1-CD2 3.75Å; V136-L162 HydrophobicContact CG1-CD1 3.98Å; V136-M164 HydrophobicContact CG1-CE 4.12Å; V136-M164 HydrophobicContact CG1-SD 4.17Å |
| 137 | S | 90.3 | Very high | 92 | Very high | 97 Ų | 97 | 52.9 Ų | 52.9 | 68% | 0.678 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.6 | -24.3 | 174.8 | 49.5 | 0 | 0 | 0 | 0 | 113.9 | P135 | P135-S137 PolarHBondContact O-N 3.02Å; P135-S137 VanDerWaalsContact O-N 3.1Å |
| 138 | Q | 89.2 | Confident | 92.1 | Very high | 104 Ų | 104 | 52.7 Ų | 52.7 | 49% | 0.486 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -74.2 | -40.7 | 175.2 | -63.6 | 177.3 | -13.5 | 0 | 0 | 110.9 | P135 V136 K140 A141 | P135-Q138 HydrophobicContact CB-CG 4.42Å; P135-Q138 WeakPolarHBondContact O-CB 3.37Å; P135-Q138 PolarHBondContact O-N 3.33Å; V136-Q138 PolarHBondContact O-N 2.95Å; Q138-K140 PolarHBondContact O-N 2.76Å; Q138-K140 VanDerWaalsContact O-N 3.17Å; Q138-A141 PolarHBondContact O-N 3.32Å |
| 139 | D | 92.4 | Very high | 92.1 | Very high | 9 Ų | 9 | 51.4 Ų | 51.4 | 5% | 0.048 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.3 | -29.7 | 179.2 | -55.8 | -21.6 | 0 | 0 | 0 | 112.3 | F130 V136 A141 H142 L143 R155 L159 | F130-D139 HydrophobicContact CD1-CB 3.89Å; F130-D139 HydrophobicContact CE1-CB 4Å; V136-D139 WeakPolarHBondContact O-CB 3.31Å; V136-D139 PolarHBondContact O-N 3.39Å; D139-A141 PolarHBondContact O-N 2.8Å; D139-H142 PolarHBondContact O-N 2.86Å; D139-L143 HydrophobicContact CB-CD1 4.36Å; D139-L143 WeakPolarHBondContact O-CG 3.48Å; D139-L143 PolarHBondContact O-N 3.31Å; D139-R155 IonicContact OD1-NH1 3.95Å; D139-R155 WeakPolarHBondContact OD2-CD 3.33Å; D139-R155 IonicContact OD2-CZ 2.79Å; D139-R155 IonicContact OD2-NE 2.77Å; D139-R155 IonicContact OD2-NH1 3.79Å; D139-R155 PolarHBondContact OD2-NH1 3.45Å; D139-L159 HydrophobicContact CB-CD1 4.34Å; D139-L159 HydrophobicContact CB-CD2 3.95Å |
| 140 | K | 89.7 | Confident | 92.2 | Very high | 138 Ų | 138 | 50 Ų | 50 | 60% | 0.6 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -61.6 | -24.6 | 179.9 | -168 | 164.4 | -178.1 | 169.6 | 0 | 114.4 | Q138 M164 | Q138-K140 PolarHBondContact O-N 2.76Å; Q138-K140 VanDerWaalsContact O-N 3.17Å; K140-M164 HydrophobicContact CB-CE 3.58Å; K140-M164 HydrophobicContact CD-CE 4.37Å; K140-M164 HydrophobicContact CG-CE 4.04Å |
| 141 | A | 90.9 | Very high | 92.2 | Very high | 63 Ų | 63 | 50 Ų | 50 | 52% | 0.521 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -74.4 | -46.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q138 D139 K144 | Q138-A141 PolarHBondContact O-N 3.32Å; D139-A141 PolarHBondContact O-N 2.8Å; A141-K144 WeakPolarHBondContact O-CG 3.49Å; A141-K144 PolarHBondContact O-N 3.14Å |
| 142 | H | 92.1 | Very high | 92.3 | Very high | 84 Ų | 84 | 50.4 Ų | 50.4 | 39% | 0.389 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.5 | -39 | 180 | -61.8 | 148.2 | 0 | 0 | 0 | 112.4 | H128 F130 D139 K144 K145 | H128-H142 HydrophobicContact CB-CB 4.07Å; H128-H142 VanDerWaalsContact CD2-CB 3.41Å; H128-H142 WeakPolarHBondContact CD2-CB 3.2Å; H128-H142 PolarHBondContact CD2-O 3.28Å; H128-H142 PolarHBondContact NE2-O 3.12Å; F130-H142 HydrophobicContact CE1-CB 4.14Å; F130-H142 HydrophobicContact CZ-CB 4.26Å; D139-H142 PolarHBondContact O-N 2.86Å; H142-K144 PolarHBondContact O-N 2.97Å; H142-K145 PolarHBondContact O-N 2.94Å |
| 143 | L | 91.1 | Very high | 92.7 | Very high | 30 Ų | 30 | 49.7 Ų | 49.7 | 16% | 0.157 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 1.2 | -178.9 | -69.7 | 163.9 | 0 | 0 | 0 | 115.5 | F130 D139 L159 M164 L165 | F130-L143 HydrophobicContact CE1-CD1 4.23Å; F130-L143 HydrophobicContact CE1-CD2 3.83Å; F130-L143 HydrophobicContact CE1-CG 3.73Å; F130-L143 HydrophobicContact CE2-CD2 4.06Å; F130-L143 HydrophobicContact CZ-CD2 3.45Å; F130-L143 VanDerWaalsContact CZ-CD2 3.45Å; F130-L143 HydrophobicContact CZ-CG 3.78Å; D139-L143 HydrophobicContact CB-CD1 4.36Å; D139-L143 WeakPolarHBondContact O-CG 3.48Å; D139-L143 PolarHBondContact O-N 3.31Å; L143-L159 HydrophobicContact CD1-CB 4.5Å; L143-L159 HydrophobicContact CD1-CD1 4.19Å; L143-L159 HydrophobicContact CD1-CD2 3.83Å; L143-L159 HydrophobicContact CD1-CG 4.39Å; L143-M164 HydrophobicContact CD1-CB 3.87Å; L143-M164 HydrophobicContact CD1-CE 4.06Å; L143-L165 HydrophobicContact CD2-CB 3.95Å; L143-L165 HydrophobicContact CD2-CD1 3.75Å; L143-L165 HydrophobicContact CD2-CG 4.35Å |
| 144 | K | 89 | Confident | 93.2 | Very high | 179 Ų | 179 | 48.7 Ų | 48.7 | 78% | 0.778 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -30.7 | 176.6 | -69.7 | -176.6 | 175.3 | -174.9 | 0 | 114.4 | A141 H142 | A141-K144 WeakPolarHBondContact O-CG 3.49Å; A141-K144 PolarHBondContact O-N 3.14Å; H142-K144 PolarHBondContact O-N 2.97Å |
| 145 | K | 92.7 | Very high | 93.7 | Very high | 74 Ų | 74 | 45.1 Ų | 45.1 | 32% | 0.322 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -153.6 | 103 | -179.6 | -178.3 | -161 | 166.1 | -151.4 | 0 | 106.1 | P94 G124 E126 H128 H142 | P94-K145 HydrophobicContact CB-CB 4.37Å; P94-K145 HydrophobicContact CB-CG 3.81Å; G124-K145 WeakPolarHBondContact O-CE 3.41Å; G124-K145 PolarHBondContact O-NZ 2.83Å; E126-K145 WeakPolarHBondContact CB-O 3.41Å; E126-K145 HydrophobicContact CG-CD 3.66Å; E126-K145 VanDerWaalsContact CG-CE 3.42Å; E126-K145 HydrophobicContact CG-CG 3.91Å; E126-K145 VanDerWaalsContact CG-NZ 3.34Å; E126-K145 IonicContact OE1-NZ 2.7Å; E126-K145 PolarHBondContact OE1-NZ 3.33Å; H128-K145 PolarHBondContact NE2-O 3.36Å; H142-K145 PolarHBondContact O-N 2.94Å |
| 146 | C | 96 | Very high | 94.1 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.007 | 23% | 0.226 | C | C | . | . | trans | -153.9 | 99 | -167.4 | 178.1 | 0 | 0 | 0 | 0 | 109.3 | P94 S95 T96 | P94-C146 PolarHBondContact O-N 3.21Å; S95-C146 CarbonylContact C-O 3.44Å; T96-C146 WeakPolarHBondContact CA-O 3.31Å; T96-C146 WeakPolarHBondContact CB-O 2.88Å; T96-C146 PolarHBondContact N-O 3.47Å; T96-C146 VanDerWaalsContact N-O 3.16Å; T96-C146 PolarHBondContact OG1-O 3.16Å | ||
| 147 | H | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -76.5 | -43.3 | -177.1 | -51.2 | 100.6 | 0 | 0 | 0 | 111.6 | L89 L91 N93 Q97 V98 G124 L125 E126 | L89-H147 HydrophobicContact CD1-CB 4.05Å; L89-H147 HydrophobicContact CD2-CB 4Å; L91-H147 PolarHBondContact O-NE2 3.24Å; N93-H147 PolarHBondContact O-CD2 2.99Å; Q97-H147 PolarHBondContact N-O 3.23Å; V98-H147 PolarHBondContact N-O 2.95Å; V98-H147 VanDerWaalsContact N-O 3.16Å; G124-H147 PolarHBondContact O-CE1 3.35Å; L125-H147 HydrophobicContact CD1-CB 4.47Å; E126-H147 PolarHBondContact N-ND1 2.9Å; E126-H147 PolarHBondContact O-N 3.14Å |
| 148 | I | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 114.1 | 179 | -55.4 | 178.9 | 0 | 0 | 0 | 109.6 | A85 L86 L89 V98 I100 V115 E126 C127 H128 V150 | A85-I148 HydrophobicContact CB-CD1 4.47Å; L86-I148 HydrophobicContact CD2-CD1 3.88Å; L89-I148 HydrophobicContact CD1-CD1 3.9Å; L89-I148 HydrophobicContact CD1-CG1 3.97Å; L89-I148 HydrophobicContact CD2-CG1 4.32Å; V98-I148 HydrophobicContact CB-CB 4.42Å; V98-I148 HydrophobicContact CB-CG1 4.05Å; V98-I148 HydrophobicContact CB-CG2 4.22Å; V98-I148 HydrophobicContact CG1-CG2 4.31Å; V98-I148 HydrophobicContact CG2-CG1 4.18Å; I100-I148 HydrophobicContact CD1-CG2 3.93Å; I100-I148 HydrophobicContact CG1-CG2 4.31Å; V115-I148 HydrophobicContact CG1-CD1 3.63Å; E126-I148 PolarHBondContact O-N 2.97Å; C127-I148 WeakPolarHBondContact CA-O 3.26Å; C127-I148 HydrophobicContact CB-CB 4.16Å; H128-I148 PolarHBondContact N-O 3.24Å; H128-I148 VanDerWaalsContact N-O 3.1Å; I148-V150 HydrophobicContact CG2-CG2 3.95Å |
| 149 | A | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 124.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | T96 V98 L99 I100 F130 | T96-A149 HydrophobicContact CG2-CB 3.69Å; V98-A149 PolarHBondContact O-N 3.27Å; L99-A149 WeakPolarHBondContact CA-O 3.49Å; L99-A149 HydrophobicContact CD1-CB 4.02Å; I100-A149 PolarHBondContact N-O 3.29Å; F130-A149 HydrophobicContact CD2-CB 4.02Å; F130-A149 HydrophobicContact CE2-CB 3.78Å |
| 150 | V | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 132.7 | 176 | -172.2 | 0 | 0 | 0 | 0 | 108.8 | I100 A108 I111 H128 V129 F130 I148 | I100-V150 HydrophobicContact CB-CG1 4.33Å; I100-V150 HydrophobicContact CB-CG2 4.29Å; I100-V150 HydrophobicContact CD1-CG2 4.27Å; I100-V150 CarbonylContact O-C 3.59Å; I100-V150 WeakPolarHBondContact O-CA 3.16Å; A108-V150 HydrophobicContact CB-CG1 4.08Å; A108-V150 WeakPolarHBondContact O-CG1 3.5Å; I111-V150 HydrophobicContact CB-CG1 3.93Å; I111-V150 HydrophobicContact CD1-CG1 4.46Å; I111-V150 HydrophobicContact CG2-CG1 3.78Å; I111-V150 HydrophobicContact CG2-CG2 4.04Å; H128-V150 PolarHBondContact O-N 3.46Å; V129-V150 CarbonylContact C-O 3.56Å; V129-V150 WeakPolarHBondContact CA-O 3.18Å; F130-V150 PolarHBondContact N-O 3.41Å; I148-V150 HydrophobicContact CG2-CG2 3.95Å |
| 151 | G | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.7 | 171.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | I100 L101 A102 F130 | I100-G151 PolarHBondContact O-N 2.89Å; L101-G151 WeakPolarHBondContact CA-O 3.46Å; A102-G151 PolarHBondContact N-O 2.87Å; F130-G151 WeakPolarHBondContact O-CA 3.47Å |
| 152 | S | 95.4 | Very high | 95.8 | Very high | 14 Ų | 14 | 37.2 Ų | 37.2 | 10% | 0.098 | 19% | 0.185 | C | C | . | . | trans | -81 | 134.8 | 171 | 57.9 | 0 | 0 | 0 | 0 | 110.1 | F130 G154 R155 I156 | F130-S152 PolarHBondContact O-N 3.26Å; F130-S152 VanDerWaalsContact O-N 3.14Å; S152-G154 VanDerWaalsContact C-N 3.33Å; S152-G154 PolarHBondContact O-N 2.71Å; S152-G154 VanDerWaalsContact O-N 3.13Å; S152-R155 PolarHBondContact O-N 2.75Å; S152-I156 PolarHBondContact O-N 3.07Å; S152-I156 VanDerWaalsContact O-N 3.14Å | ||
| 153 | P | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -48 | -46.9 | -172.8 | -31.4 | 34.6 | 0 | 0 | 0 | 114.7 | L101 A102 R155 I156 K157 L181 F187 Q190 I191 I194 | L101-P153 HydrophobicContact CB-CG 4.49Å; L101-P153 HydrophobicContact CD1-CG 4.35Å; A102-P153 WeakPolarHBondContact O-CD 3.37Å; P153-R155 VanDerWaalsContact C-N 3.3Å; P153-R155 PolarHBondContact O-N 2.64Å; P153-I156 PolarHBondContact O-N 3.31Å; P153-K157 WeakPolarHBondContact O-CB 3.36Å; P153-K157 PolarHBondContact O-N 3.38Å; P153-L181 HydrophobicContact CG-CD2 3.59Å; P153-F187 HydrophobicContact CB-CB 4.14Å; P153-F187 HydrophobicContact CB-CD1 4.32Å; P153-F187 HydrophobicContact CB-CG 4.38Å; P153-F187 HydrophobicContact CG-CB 3.95Å; P153-F187 HydrophobicContact CG-CD1 4.35Å; P153-F187 HydrophobicContact CG-CG 4.05Å; P153-Q190 HydrophobicContact CB-CB 4.2Å; P153-I191 HydrophobicContact CB-CG1 4.15Å; P153-I191 HydrophobicContact CG-CD1 4.35Å; P153-I191 HydrophobicContact CG-CG1 4.11Å; P153-I194 HydrophobicContact CB-CD1 4.27Å |
| 154 | G | 95.6 | Very high | 96 | Very high | 40 Ų | 40 | 37.3 Ų | 37.3 | 41% | 0.412 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.5 | -31.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | S152 Q158 | S152-G154 VanDerWaalsContact C-N 3.33Å; S152-G154 PolarHBondContact O-N 2.71Å; S152-G154 VanDerWaalsContact O-N 3.13Å; G154-Q158 WeakPolarHBondContact O-CB 3.48Å; G154-Q158 PolarHBondContact O-N 3.31Å |
| 155 | R | 95.9 | Very high | 96.3 | Very high | 17 Ų | 17 | 29 Ų | 29 | 6% | 0.064 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -82.8 | -39.4 | 175 | 175.3 | 53.3 | 63.4 | 80.3 | 4.1 | 111.6 | F130 I131 R134 D139 S152 P153 Q158 L159 | F130-R155 HydrophobicContact CB-CG 4.04Å; I131-R155 PolarHBondContact O-NH1 2.85Å; R134-R155 PolarHBondContact O-NH1 3.41Å; R134-R155 PolarHBondContact O-NH2 2.91Å; D139-R155 IonicContact OD1-NH1 3.95Å; D139-R155 WeakPolarHBondContact OD2-CD 3.33Å; D139-R155 IonicContact OD2-CZ 2.79Å; D139-R155 IonicContact OD2-NE 2.77Å; D139-R155 IonicContact OD2-NH1 3.79Å; D139-R155 PolarHBondContact OD2-NH1 3.45Å; S152-R155 PolarHBondContact O-N 2.75Å; P153-R155 VanDerWaalsContact C-N 3.3Å; P153-R155 PolarHBondContact O-N 2.64Å; R155-Q158 PolarHBondContact O-N 3.21Å; R155-L159 HydrophobicContact CG-CD1 4.03Å; R155-L159 HydrophobicContact CG-CG 4.42Å; R155-L159 WeakPolarHBondContact O-CG 3.47Å; R155-L159 PolarHBondContact O-N 3.28Å |
| 156 | I | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.8 | -48.5 | 174.8 | -66.1 | -63.6 | 0 | 0 | 0 | 110.4 | L99 L101 F130 S152 P153 Q158 L159 I160 L165 I194 | L99-I156 HydrophobicContact CD1-CD1 3.86Å; L99-I156 HydrophobicContact CD1-CG1 4.18Å; L99-I156 HydrophobicContact CD1-CG2 3.92Å; L99-I156 HydrophobicContact CD2-CG2 4.05Å; L101-I156 HydrophobicContact CD2-CB 4.05Å; L101-I156 HydrophobicContact CD2-CG1 3.75Å; L101-I156 HydrophobicContact CD2-CG2 4.11Å; F130-I156 HydrophobicContact CB-CD1 3.77Å; F130-I156 HydrophobicContact CD2-CD1 4.03Å; F130-I156 HydrophobicContact CG-CD1 4.26Å; S152-I156 PolarHBondContact O-N 3.07Å; S152-I156 VanDerWaalsContact O-N 3.14Å; P153-I156 PolarHBondContact O-N 3.31Å; I156-Q158 PolarHBondContact O-N 2.84Å; I156-L159 PolarHBondContact O-N 2.89Å; I156-L159 VanDerWaalsContact O-N 3.13Å; I156-I160 HydrophobicContact CG2-CD1 3.84Å; I156-I160 WeakPolarHBondContact O-CG1 3.48Å; I156-I160 PolarHBondContact O-N 3.2Å; I156-I160 VanDerWaalsContact O-N 3.11Å; I156-L165 HydrophobicContact CD1-CD2 4.33Å; I156-L165 HydrophobicContact CG2-CD2 4.27Å; I156-I194 HydrophobicContact CB-CD1 4.07Å; I156-I194 HydrophobicContact CG2-CD1 3.84Å; I156-I194 HydrophobicContact CG2-CG1 4.22Å; I156-I194 HydrophobicContact CG2-CG2 4.4Å |
| 157 | K | 97.4 | Very high | 96.2 | Very high | 44 Ų | 44 | 30.8 Ų | 30.8 | 19% | 0.191 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -52.3 | -52.2 | 172.8 | 171.3 | 162.1 | -171.9 | -65.4 | 0 | 111.5 | P153 L159 I160 E161 Q190 W193 I194 | P153-K157 WeakPolarHBondContact O-CB 3.36Å; P153-K157 PolarHBondContact O-N 3.38Å; K157-L159 VanDerWaalsContact C-N 3.28Å; K157-L159 PolarHBondContact O-N 2.96Å; K157-I160 PolarHBondContact O-N 2.87Å; K157-E161 HydrophobicContact CG-CG 4.27Å; K157-E161 VanDerWaalsContact CG-OE2 3.31Å; K157-E161 WeakPolarHBondContact CG-OE2 3.34Å; K157-E161 IonicContact NZ-OE1 3.7Å; K157-E161 PolarHBondContact NZ-OE1 2.84Å; K157-E161 IonicContact NZ-OE2 3.67Å; K157-E161 PolarHBondContact NZ-OE2 3.35Å; K157-E161 WeakPolarHBondContact O-CG 3.27Å; K157-E161 PolarHBondContact O-N 2.87Å; K157-Q190 HydrophobicContact CD-CB 4.04Å; K157-Q190 HydrophobicContact CD-CG 4.07Å; K157-W193 HydrophobicContact CB-CE3 4.14Å; K157-W193 HydrophobicContact CB-CZ3 4.35Å; K157-W193 HydrophobicContact CD-CB 4.28Å; K157-W193 HydrophobicContact CD-CD2 3.98Å; K157-W193 HydrophobicContact CD-CE3 3.86Å; K157-W193 HydrophobicContact CD-CG 4.15Å; K157-W193 HydrophobicContact CG-CD2 4.12Å; K157-W193 HydrophobicContact CG-CE3 3.59Å; K157-W193 HydrophobicContact CG-CZ3 3.92Å; K157-I194 HydrophobicContact CB-CD1 4.13Å; K157-I194 HydrophobicContact CB-CG1 4.04Å |
| 158 | Q | 96.9 | Very high | 95.8 | Very high | 73 Ų | 73 | 32.9 Ų | 32.9 | 34% | 0.341 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -56.2 | -37.4 | 178 | 177 | 172.8 | 49.4 | 0 | 0 | 113.6 | G154 R155 I156 L162 | G154-Q158 WeakPolarHBondContact O-CB 3.48Å; G154-Q158 PolarHBondContact O-N 3.31Å; R155-Q158 PolarHBondContact O-N 3.21Å; I156-Q158 PolarHBondContact O-N 2.84Å; Q158-L162 HydrophobicContact CG-CD1 3.98Å; Q158-L162 WeakPolarHBondContact O-CB 3.2Å; Q158-L162 WeakPolarHBondContact O-CD1 3.34Å; Q158-L162 WeakPolarHBondContact O-CG 3.43Å; Q158-L162 PolarHBondContact O-N 3.02Å; Q158-L162 VanDerWaalsContact O-N 3.15Å |
| 159 | L | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -75.1 | -31.8 | -179.6 | -68.5 | 169.9 | 0 | 0 | 0 | 112.9 | F130 V136 D139 L143 R155 I156 K157 M164 L165 | F130-L159 HydrophobicContact CB-CD1 3.73Å; F130-L159 HydrophobicContact CD1-CD1 3.49Å; F130-L159 VanDerWaalsContact CD1-CD1 3.49Å; F130-L159 HydrophobicContact CE1-CD1 4.25Å; F130-L159 HydrophobicContact CG-CD1 3.67Å; V136-L159 HydrophobicContact CG1-CD2 3.75Å; D139-L159 HydrophobicContact CB-CD1 4.34Å; D139-L159 HydrophobicContact CB-CD2 3.95Å; L143-L159 HydrophobicContact CD1-CB 4.5Å; L143-L159 HydrophobicContact CD1-CD1 4.19Å; L143-L159 HydrophobicContact CD1-CD2 3.83Å; L143-L159 HydrophobicContact CD1-CG 4.39Å; R155-L159 HydrophobicContact CG-CD1 4.03Å; R155-L159 HydrophobicContact CG-CG 4.42Å; R155-L159 WeakPolarHBondContact O-CG 3.47Å; R155-L159 PolarHBondContact O-N 3.28Å; I156-L159 PolarHBondContact O-N 2.89Å; I156-L159 VanDerWaalsContact O-N 3.13Å; K157-L159 VanDerWaalsContact C-N 3.28Å; K157-L159 PolarHBondContact O-N 2.96Å; L159-M164 HydrophobicContact CD2-CB 4.38Å; L159-M164 HydrophobicContact CD2-CE 3.81Å; L159-M164 HydrophobicContact CD2-SD 4.34Å; L159-M164 WeakPolarHBondContact O-CA 3.32Å; L159-M164 WeakPolarHBondContact O-CB 3.3Å; L159-M164 PolarHBondContact O-N 3.04Å; L159-L165 HydrophobicContact CB-CB 4Å; L159-L165 PolarHBondContact O-N 3.31Å |
| 160 | I | 96.8 | Very high | 95.2 | Very high | 22 Ų | 22 | 34.4 Ų | 34.4 | 11% | 0.113 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -74.6 | -43.7 | 173.7 | -58 | 164.5 | 0 | 0 | 0 | 109.8 | I156 K157 L162 G163 L165 T167 W193 I194 | I156-I160 HydrophobicContact CG2-CD1 3.84Å; I156-I160 WeakPolarHBondContact O-CG1 3.48Å; I156-I160 PolarHBondContact O-N 3.2Å; I156-I160 VanDerWaalsContact O-N 3.11Å; K157-I160 PolarHBondContact O-N 2.87Å; I160-L162 PolarHBondContact O-N 2.92Å; I160-G163 PolarHBondContact O-N 2.84Å; I160-L165 HydrophobicContact CD1-CD2 4.38Å; I160-L165 HydrophobicContact CG1-CB 4.09Å; I160-L165 HydrophobicContact CG1-CD2 3.95Å; I160-L165 HydrophobicContact CG1-CG 4.11Å; I160-T167 HydrophobicContact CD1-CG2 3.76Å; I160-T167 HydrophobicContact CG1-CG2 3.89Å; I160-T167 HydrophobicContact CG2-CG2 3.97Å; I160-W193 HydrophobicContact CB-CH2 3.96Å; I160-W193 HydrophobicContact CB-CZ3 3.86Å; I160-W193 HydrophobicContact CD1-CZ3 4.4Å; I160-W193 HydrophobicContact CG2-CH2 3.7Å; I160-W193 HydrophobicContact CG2-CZ3 3.88Å; I160-I194 HydrophobicContact CD1-CG1 4.38Å; I160-I194 HydrophobicContact CD1-CG2 4.34Å |
| 161 | E | 96.4 | Very high | 94.9 | Very high | 104 Ų | 104 | 40.5 Ų | 40.5 | 49% | 0.486 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.1 | -33 | 176.1 | -75.2 | -178.3 | 124.5 | 0 | 0 | 113.3 | K157 G163 W193 | K157-E161 HydrophobicContact CG-CG 4.27Å; K157-E161 VanDerWaalsContact CG-OE2 3.31Å; K157-E161 WeakPolarHBondContact CG-OE2 3.34Å; K157-E161 IonicContact NZ-OE1 3.7Å; K157-E161 PolarHBondContact NZ-OE1 2.84Å; K157-E161 IonicContact NZ-OE2 3.67Å; K157-E161 PolarHBondContact NZ-OE2 3.35Å; K157-E161 WeakPolarHBondContact O-CG 3.27Å; K157-E161 PolarHBondContact O-N 2.87Å; E161-G163 VanDerWaalsContact C-N 3.26Å; E161-G163 PolarHBondContact O-N 3.18Å; E161-W193 HydrophobicContact CB-CH2 4.38Å; E161-W193 HydrophobicContact CG-CH2 3.39Å; E161-W193 HydrophobicContact CG-CZ2 3.42Å; E161-W193 VanDerWaalsContact CG-CZ2 3.42Å; E161-W193 HydrophobicContact CG-CZ3 4.09Å |
| 162 | L | 95.6 | Very high | 94.9 | Very high | 100 Ų | 100 | 40.6 Ų | 40.6 | 52% | 0.524 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | 3 | 175.4 | -68.6 | 171.1 | 0 | 0 | 0 | 113.6 | V136 Q158 I160 M164 | V136-L162 HydrophobicContact CG1-CD1 3.98Å; Q158-L162 HydrophobicContact CG-CD1 3.98Å; Q158-L162 WeakPolarHBondContact O-CB 3.2Å; Q158-L162 WeakPolarHBondContact O-CD1 3.34Å; Q158-L162 WeakPolarHBondContact O-CG 3.43Å; Q158-L162 PolarHBondContact O-N 3.02Å; Q158-L162 VanDerWaalsContact O-N 3.15Å; I160-L162 PolarHBondContact O-N 2.92Å; L162-M164 HydrophobicContact CB-CG 3.9Å; L162-M164 HydrophobicContact CB-SD 3.94Å; L162-M164 HydrophobicContact CD1-SD 4.05Å; L162-M164 PolarHBondContact O-N 3.5Å |
| 163 | G | 93.3 | Very high | 95 | Very high | 70 Ų | 70 | 40 Ų | 40 | 72% | 0.722 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 22.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | I160 E161 | I160-G163 PolarHBondContact O-N 2.84Å; E161-G163 VanDerWaalsContact C-N 3.26Å; E161-G163 PolarHBondContact O-N 3.18Å |
| 164 | M | 94.6 | Very high | 95.1 | Very high | 45 Ų | 45 | 40 Ų | 40 | 22% | 0.222 | 24% | 0.24 | C | C | . | . | trans | -92.4 | -31.7 | -176.2 | -67.2 | 177.9 | 48 | 0 | 0 | 112.8 | V136 K140 L143 L159 L162 | V136-M164 HydrophobicContact CG1-CE 4.12Å; V136-M164 HydrophobicContact CG1-SD 4.17Å; K140-M164 HydrophobicContact CB-CE 3.58Å; K140-M164 HydrophobicContact CD-CE 4.37Å; K140-M164 HydrophobicContact CG-CE 4.04Å; L143-M164 HydrophobicContact CD1-CB 3.87Å; L143-M164 HydrophobicContact CD1-CE 4.06Å; L159-M164 HydrophobicContact CD2-CB 4.38Å; L159-M164 HydrophobicContact CD2-CE 3.81Å; L159-M164 HydrophobicContact CD2-SD 4.34Å; L159-M164 WeakPolarHBondContact O-CA 3.32Å; L159-M164 WeakPolarHBondContact O-CB 3.3Å; L159-M164 PolarHBondContact O-N 3.04Å; L162-M164 HydrophobicContact CB-CG 3.9Å; L162-M164 HydrophobicContact CB-SD 3.94Å; L162-M164 HydrophobicContact CD1-SD 4.05Å; L162-M164 PolarHBondContact O-N 3.5Å | ||
| 165 | L | 95.6 | Very high | 95.2 | Very high | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -105.7 | 112.1 | 172.1 | 174.1 | 58.4 | 0 | 0 | 0 | 109.2 | T96 L143 I156 L159 I160 | T96-L165 HydrophobicContact CG2-CD1 4.24Å; L143-L165 HydrophobicContact CD2-CB 3.95Å; L143-L165 HydrophobicContact CD2-CD1 3.75Å; L143-L165 HydrophobicContact CD2-CG 4.35Å; I156-L165 HydrophobicContact CD1-CD2 4.33Å; I156-L165 HydrophobicContact CG2-CD2 4.27Å; L159-L165 HydrophobicContact CB-CB 4Å; L159-L165 PolarHBondContact O-N 3.31Å; I160-L165 HydrophobicContact CD1-CD2 4.38Å; I160-L165 HydrophobicContact CG1-CB 4.09Å; I160-L165 HydrophobicContact CG1-CD2 3.95Å; I160-L165 HydrophobicContact CG1-CG 4.11Å |
| 166 | S | 92.8 | Very high | 95.2 | Very high | 88 Ų | 88 | 37.7 Ų | 37.7 | 62% | 0.615 | 22% | 0.22 | S | C | * | . | trans | -76.5 | 130.3 | 172.8 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 167 | T | 94.5 | Very high | 94.9 | Very high | 25 Ų | 25 | 38.4 Ų | 38.4 | 15% | 0.153 | 22% | 0.223 | C | C | . | . | trans | -98.7 | -16.6 | -178.1 | 55.3 | 0 | 0 | 0 | 0 | 114.1 | I160 S169 I170 S197 L198 P199 | I160-T167 HydrophobicContact CD1-CG2 3.76Å; I160-T167 HydrophobicContact CG1-CG2 3.89Å; I160-T167 HydrophobicContact CG2-CG2 3.97Å; T167-S169 PolarHBondContact O-N 3.37Å; T167-S169 VanDerWaalsContact O-N 3.09Å; T167-I170 HydrophobicContact CG2-CD1 4.16Å; T167-I170 WeakPolarHBondContact O-CB 3.44Å; T167-I170 WeakPolarHBondContact O-CG1 3.4Å; T167-I170 PolarHBondContact O-N 3.22Å; T167-S197 WeakPolarHBondContact CB-O 3.33Å; T167-S197 PolarHBondContact OG1-O 3Å; T167-L198 HydrophobicContact CG2-CD2 3.95Å; T167-P199 VanDerWaalsContact O-CD 3.25Å; T167-P199 WeakPolarHBondContact O-CD 3.41Å; T167-P199 WeakPolarHBondContact O-CG 3.23Å | ||
| 168 | G | 88.4 | Confident | 94.7 | Very high | 44 Ų | 44 | 36.3 Ų | 36.3 | 45% | 0.454 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -25.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | R171 | G168-R171 PolarHBondContact O-NH1 3.39Å; G168-R171 PolarHBondContact O-NH2 2.87Å |
| 169 | S | 90.3 | Very high | 94.4 | Very high | 31 Ų | 31 | 33.4 Ų | 33.4 | 22% | 0.217 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -7.8 | 178 | -56.9 | 0 | 0 | 0 | 0 | 114.1 | S95 T96 T167 R171 | S95-S169 WeakPolarHBondContact CB-OG 3.42Å; T96-S169 CarbonylContact O-C 3.19Å; T96-S169 WeakPolarHBondContact O-CB 3.33Å; T167-S169 PolarHBondContact O-N 3.37Å; T167-S169 VanDerWaalsContact O-N 3.09Å; S169-R171 PolarHBondContact O-N 3.25Å |
| 170 | I | 93.7 | Very high | 94 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -67.9 | 127.1 | -177.7 | -63 | 170.5 | 0 | 0 | 0 | 109.6 | T96 Q97 L99 T167 L198 P199 | T96-I170 HydrophobicContact CG2-CD1 4.47Å; T96-I170 HydrophobicContact CG2-CG1 4.22Å; T96-I170 WeakPolarHBondContact O-CG1 3.32Å; T96-I170 PolarHBondContact O-N 3.15Å; Q97-I170 CarbonylContact O-C 3.54Å; Q97-I170 WeakPolarHBondContact O-CA 3.32Å; L99-I170 HydrophobicContact CB-CD1 3.96Å; L99-I170 HydrophobicContact CB-CG2 4.25Å; L99-I170 HydrophobicContact CD2-CD1 4.21Å; T167-I170 HydrophobicContact CG2-CD1 4.16Å; T167-I170 WeakPolarHBondContact O-CB 3.44Å; T167-I170 WeakPolarHBondContact O-CG1 3.4Å; T167-I170 PolarHBondContact O-N 3.22Å; I170-L198 HydrophobicContact CB-CD2 4.41Å; I170-L198 HydrophobicContact CD1-CD2 3.57Å; I170-L198 HydrophobicContact CG2-CD2 4.33Å; I170-P199 WeakPolarHBondContact O-CG 3.25Å | ||
| 171 | R | 92 | Very high | 93.8 | Very high | 129 Ų | 129 | 34.7 Ų | 34.7 | 49% | 0.487 | 21% | 0.205 | S | C | . | . | trans | -121.1 | -19.2 | 176.4 | -63.1 | -62.8 | 173.1 | -89.2 | -3.2 | 113 | Q97 G168 S169 K202 Q203 | Q97-R171 PolarHBondContact O-N 2.82Å; G168-R171 PolarHBondContact O-NH1 3.39Å; G168-R171 PolarHBondContact O-NH2 2.87Å; S169-R171 PolarHBondContact O-N 3.25Å; R171-K202 CarbonylContact O-C 3.58Å; R171-K202 VanDerWaalsContact O-CA 3.27Å; R171-K202 WeakPolarHBondContact O-CA 3.07Å; R171-Q203 PolarHBondContact O-N 3.23Å | ||
| 172 | L | 96.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 126.1 | 175.3 | -178.8 | 61.6 | 0 | 0 | 0 | 110.7 | I84 A85 Q97 V98 L99 V174 Q203 L205 | I84-L172 HydrophobicContact CG2-CD2 4.33Å; A85-L172 HydrophobicContact CB-CD2 3.76Å; Q97-L172 PolarHBondContact O-N 2.92Å; V98-L172 WeakPolarHBondContact CA-O 3.16Å; V98-L172 HydrophobicContact CB-CB 4.49Å; V98-L172 HydrophobicContact CG1-CB 4.14Å; V98-L172 HydrophobicContact CG1-CD2 3.91Å; V98-L172 HydrophobicContact CG1-CG 4.08Å; V98-L172 HydrophobicContact CG2-CB 4.19Å; V98-L172 HydrophobicContact CG2-CD2 4.26Å; L99-L172 PolarHBondContact N-O 3.17Å; L172-V174 HydrophobicContact CD1-CG2 4.3Å; L172-V174 HydrophobicContact CD2-CG2 4.3Å; L172-V174 HydrophobicContact CG-CG2 3.95Å; L172-Q203 HydrophobicContact CD1-CB 4.02Å; L172-Q203 HydrophobicContact CD1-CG 3.97Å; L172-L205 HydrophobicContact CD1-CD1 3.85Å; L172-L205 HydrophobicContact CD1-CG 3.84Å |
| 173 | F | 98.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 124.8 | 177 | -177.8 | -125.7 | 0 | 0 | 0 | 110.5 | L99 L101 L175 I191 I194 F195 L198 K202 Q203 M204 L205 | L99-F173 HydrophobicContact CB-CD2 4.21Å; L99-F173 HydrophobicContact CD2-CD2 3.95Å; L99-F173 HydrophobicContact CD2-CE2 3.83Å; L99-F173 HydrophobicContact CG-CD2 4.03Å; L99-F173 HydrophobicContact CG-CE2 4.13Å; L99-F173 WeakPolarHBondContact O-CA 3.22Å; L101-F173 HydrophobicContact CD1-CE2 3.69Å; L101-F173 HydrophobicContact CD1-CZ 3.67Å; L101-F173 HydrophobicContact CG-CE2 3.85Å; L101-F173 HydrophobicContact CG-CZ 4.27Å; F173-L175 HydrophobicContact CE1-CD2 3.87Å; F173-L175 HydrophobicContact CE1-CG 4.37Å; F173-L175 HydrophobicContact CE2-CD2 4.33Å; F173-L175 HydrophobicContact CZ-CD2 3.68Å; F173-I191 HydrophobicContact CZ-CG2 4.46Å; F173-I194 HydrophobicContact CE2-CG2 4.18Å; F173-I194 HydrophobicContact CZ-CG2 4.36Å; F173-F195 HydrophobicContact CD1-CD2 4.18Å; F173-F195 AromaticContact CE1-CD2 3.99Å; F173-F195 HydrophobicContact CE1-CD2 3.99Å; F173-L198 HydrophobicContact CB-CD1 3.99Å; F173-L198 HydrophobicContact CD1-CD1 4.02Å; F173-L198 HydrophobicContact CD2-CD1 3.49Å; F173-L198 VanDerWaalsContact CD2-CD1 3.49Å; F173-L198 HydrophobicContact CE1-CD1 4.34Å; F173-L198 HydrophobicContact CE2-CD1 3.85Å; F173-L198 HydrophobicContact CG-CD1 3.57Å; F173-L198 HydrophobicContact CZ-CD1 4.25Å; F173-K202 HydrophobicContact CB-CD 4.39Å; F173-Q203 PolarHBondContact N-O 3.49Å; F173-M204 HydrophobicContact CD1-CG 4.18Å; F173-M204 HydrophobicContact CD1-SD 3.82Å; F173-M204 HydrophobicContact CE1-CE 4.47Å; F173-M204 HydrophobicContact CE1-SD 4.21Å; F173-M204 CarbonylContact O-C 3.47Å; F173-M204 VanDerWaalsContact O-CA 3.3Å; F173-M204 WeakPolarHBondContact O-CA 3.4Å; F173-L205 PolarHBondContact O-N 2.83Å |
| 174 | V | 98.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 133.1 | -172.3 | -174.5 | 0 | 0 | 0 | 0 | 111.1 | F81 L99 I100 L101 L172 L205 L207 | F81-V174 HydrophobicContact CB-CG1 3.87Å; F81-V174 HydrophobicContact CB-CG2 4.37Å; F81-V174 HydrophobicContact CD1-CG1 4.1Å; F81-V174 HydrophobicContact CD2-CG1 3.82Å; F81-V174 HydrophobicContact CE1-CG1 4.5Å; F81-V174 HydrophobicContact CE2-CG1 4.29Å; F81-V174 HydrophobicContact CG-CG1 3.7Å; L99-V174 PolarHBondContact O-N 3.11Å; I100-V174 HydrophobicContact CB-CB 4.3Å; I100-V174 HydrophobicContact CG1-CB 4.12Å; I100-V174 HydrophobicContact CG1-CG2 4.25Å; I100-V174 HydrophobicContact CG2-CB 4.01Å; I100-V174 HydrophobicContact CG2-CG1 4.1Å; L101-V174 PolarHBondContact N-O 3.28Å; L172-V174 HydrophobicContact CD1-CG2 4.3Å; L172-V174 HydrophobicContact CD2-CG2 4.3Å; L172-V174 HydrophobicContact CG-CG2 3.95Å; V174-L205 CarbonylContact C-O 3.58Å; V174-L205 WeakPolarHBondContact CA-O 3.41Å; V174-L205 HydrophobicContact CG1-CB 4.3Å; V174-L205 HydrophobicContact CG2-CB 4.25Å; V174-L205 HydrophobicContact CG2-CD1 4.17Å; V174-L205 HydrophobicContact CG2-CG 4.48Å; V174-L207 HydrophobicContact CG1-CD1 3.8Å |
| 175 | L | 97.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 109.6 | 169.9 | -54.9 | -175.2 | 0 | 0 | 0 | 109.4 | L101 F173 A178 L181 L182 I191 M204 L205 L207 | L101-L175 HydrophobicContact CB-CD2 3.94Å; L101-L175 HydrophobicContact CD1-CD2 3.87Å; L101-L175 HydrophobicContact CG-CD2 4.21Å; F173-L175 HydrophobicContact CE1-CD2 3.87Å; F173-L175 HydrophobicContact CE1-CG 4.37Å; F173-L175 HydrophobicContact CE2-CD2 4.33Å; F173-L175 HydrophobicContact CZ-CD2 3.68Å; L175-A178 HydrophobicContact CB-CB 4.03Å; L175-L181 HydrophobicContact CB-CD1 3.83Å; L175-L181 HydrophobicContact CD2-CD1 4.18Å; L175-L182 HydrophobicContact CD1-CD1 3.94Å; L175-L182 HydrophobicContact CD1-CG 4.29Å; L175-I191 HydrophobicContact CD2-CG2 4.39Å; L175-M204 HydrophobicContact CD1-CE 3.51Å; L175-M204 HydrophobicContact CG-CE 4.05Å; L175-L205 PolarHBondContact N-O 2.74Å; L175-L207 PolarHBondContact O-N 2.83Å |
| 176 | D | 95.4 | Very high | 91.1 | Very high | 10 Ų | 10 | 35 Ų | 35 | 5% | 0.053 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 141.6 | 172.5 | -167.3 | 21.2 | 0 | 0 | 0 | 111.5 | F81 L101 P103 I111 A178 L181 | F81-D176 HydrophobicContact CE1-CB 3.89Å; F81-D176 HydrophobicContact CZ-CB 3.86Å; L101-D176 PolarHBondContact O-N 2.72Å; L101-D176 VanDerWaalsContact O-N 3.08Å; P103-D176 WeakPolarHBondContact CD-O 3.45Å; I111-D176 HydrophobicContact CD1-CB 4.03Å; D176-A178 VanDerWaalsContact C-N 3.3Å; D176-L181 WeakPolarHBondContact O-CD1 3.39Å |
| 177 | E | 91.6 | Very high | 91 | Very high | 14 Ų | 14 | 33.6 Ų | 33.6 | 7% | 0.065 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.6 | 53.6 | -159.3 | -67.8 | -163.3 | -156.6 | 0 | 0 | 112 | P103 I107 D179 K180 L181 L207 R336 H360 R364 | P103-E177 HydrophobicContact CG-CB 3.93Å; I107-E177 HydrophobicContact CD1-CG 4.38Å; E177-D179 VanDerWaalsContact C-OD1 3.31Å; E177-D179 PolarHBondContact O-N 3.22Å; E177-D179 VanDerWaalsContact O-N 3.13Å; E177-K180 PolarHBondContact O-N 2.79Å; E177-L181 PolarHBondContact O-N 2.99Å; E177-L207 WeakPolarHBondContact CA-O 3.39Å; E177-L207 PolarHBondContact N-O 3.06Å; E177-L207 VanDerWaalsContact N-O 3.09Å; E177-R336 VanDerWaalsContact OE2-CD 3.24Å; E177-R336 WeakPolarHBondContact OE2-CD 3.44Å; E177-R336 VanDerWaalsContact OE2-CG 3.3Å; E177-R336 WeakPolarHBondContact OE2-CG 3.39Å; E177-R336 IonicContact OE2-CZ 3.01Å; E177-R336 IonicContact OE2-NE 2.66Å; E177-R336 IonicContact OE2-NH1 3.84Å; E177-R336 PolarHBondContact OE2-NH1 3.28Å; E177-H360 IonicContact OE2-CE1 2.75Å; E177-H360 IonicContact OE2-ND1 2.64Å; E177-R364 IonicContact OE1-CZ 2.7Å; E177-R364 IonicContact OE1-NH1 2.63Å; E177-R364 IonicContact OE1-NH2 2.69Å; E177-R364 PolarHBondContact OE1-NH2 2.66Å; E177-R364 IonicContact OE2-NH2 3.81Å |
| 178 | A | 93.7 | Very high | 90.8 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.2 | -29.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L175 D176 K180 L181 L182 A206 L207 L215 | L175-A178 HydrophobicContact CB-CB 4.03Å; D176-A178 VanDerWaalsContact C-N 3.3Å; A178-K180 VanDerWaalsContact C-N 3.27Å; A178-K180 PolarHBondContact O-N 2.81Å; A178-L181 PolarHBondContact O-N 3.17Å; A178-L182 PolarHBondContact O-N 2.86Å; A178-A206 HydrophobicContact CB-CB 4.32Å; A178-L207 PolarHBondContact N-O 2.94Å; A178-L215 HydrophobicContact CB-CD1 4.16Å; A178-L215 WeakPolarHBondContact O-CD1 3.42Å |
| 179 | D | 90.7 | Very high | 91 | Very high | 11 Ų | 11 | 39.5 Ų | 39.5 | 6% | 0.059 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.9 | -35.4 | 174 | 62.2 | -59.7 | 0 | 0 | 0 | 112.9 | E177 E183 S208 T210 L215 R336 H360 | E177-D179 VanDerWaalsContact C-OD1 3.31Å; E177-D179 PolarHBondContact O-N 3.22Å; E177-D179 VanDerWaalsContact O-N 3.13Å; D179-E183 PolarHBondContact O-N 3.49Å; D179-S208 WeakPolarHBondContact CB-OG 3.45Å; D179-S208 PolarHBondContact OD1-OG 3.14Å; D179-T210 WeakPolarHBondContact CB-OG1 3.39Å; D179-T210 PolarHBondContact OD2-OG1 2.93Å; D179-L215 HydrophobicContact CB-CD2 4.13Å; D179-R336 IonicContact OD1-NH1 2.79Å; D179-R336 PolarHBondContact OD1-NH1 2.77Å; D179-R336 IonicContact OD2-CZ 3.41Å; D179-R336 VanDerWaalsContact OD2-CZ 3.23Å; D179-R336 IonicContact OD2-NH1 3.14Å; D179-R336 PolarHBondContact OD2-NH1 3.33Å; D179-R336 IonicContact OD2-NH2 3.88Å; D179-R336 PolarHBondContact OD2-NH2 3.35Å; D179-H360 IonicContact OD1-NE2 2.74Å; D179-H360 IonicContact OD2-CD2 3.19Å; D179-H360 IonicContact OD2-CE1 2.61Å; D179-H360 IonicContact OD2-NE2 2.8Å; D179-H360 PolarHBondContact OD2-NE2 3.47Å |
| 180 | K | 88.6 | Confident | 91.2 | Very high | 49 Ų | 49 | 40.7 Ų | 40.7 | 21% | 0.213 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -91.6 | -25.2 | 179 | -167 | 52 | 160.9 | 178 | 0 | 113.4 | P103 E177 A178 E183 S186 | P103-K180 HydrophobicContact CB-CB 4.1Å; P103-K180 HydrophobicContact CB-CG 4.01Å; P103-K180 HydrophobicContact CG-CB 4.19Å; P103-K180 HydrophobicContact CG-CG 4.46Å; E177-K180 PolarHBondContact O-N 2.79Å; A178-K180 VanDerWaalsContact C-N 3.27Å; A178-K180 PolarHBondContact O-N 2.81Å; K180-E183 HydrophobicContact CD-CB 4.46Å; K180-E183 WeakPolarHBondContact CD-OE1 3.49Å; K180-E183 WeakPolarHBondContact CD-OE2 3.3Å; K180-E183 WeakPolarHBondContact CE-OE2 3.38Å; K180-E183 IonicContact NZ-OE1 2.68Å; K180-E183 PolarHBondContact NZ-OE1 3.03Å; K180-E183 IonicContact NZ-OE2 3.68Å; K180-E183 PolarHBondContact NZ-OE2 3.45Å; K180-S186 WeakPolarHBondContact O-CB 3.27Å; K180-S186 PolarHBondContact O-OG 2.98Å |
| 181 | L | 92.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.8 | -44.2 | 173.1 | -75.2 | 172.1 | 0 | 0 | 0 | 111.1 | L101 P103 P153 L175 D176 E177 A178 F187 Q188 I191 | L101-L181 HydrophobicContact CB-CD1 4.28Å; P103-L181 HydrophobicContact CB-CD2 3.97Å; P103-L181 HydrophobicContact CB-CG 4.13Å; P103-L181 HydrophobicContact CG-CG 4.37Å; P153-L181 HydrophobicContact CG-CD2 3.59Å; L175-L181 HydrophobicContact CB-CD1 3.83Å; L175-L181 HydrophobicContact CD2-CD1 4.18Å; D176-L181 WeakPolarHBondContact O-CD1 3.39Å; E177-L181 PolarHBondContact O-N 2.99Å; A178-L181 PolarHBondContact O-N 3.17Å; L181-F187 HydrophobicContact CD2-CD2 4.24Å; L181-F187 CarbonylContact O-C 3.59Å; L181-Q188 PolarHBondContact O-N 2.84Å; L181-I191 HydrophobicContact CB-CD1 3.66Å; L181-I191 HydrophobicContact CD2-CD1 4.05Å; L181-I191 HydrophobicContact CG-CD1 4.41Å; L181-I191 WeakPolarHBondContact O-CD1 3.33Å |
| 182 | L | 92 | Very high | 91.4 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -100.8 | 17.3 | -177.1 | -60.3 | 179.4 | 0 | 0 | 0 | 114.1 | L175 A178 I191 L215 H218 L219 Y222 | L175-L182 HydrophobicContact CD1-CD1 3.94Å; L175-L182 HydrophobicContact CD1-CG 4.29Å; A178-L182 PolarHBondContact O-N 2.86Å; L182-I191 HydrophobicContact CD2-CB 4.37Å; L182-I191 HydrophobicContact CD2-CD1 3.94Å; L182-I191 HydrophobicContact CD2-CG2 4.05Å; L182-L215 HydrophobicContact CB-CD1 3.97Å; L182-L215 HydrophobicContact CD1-CD1 3.88Å; L182-L215 HydrophobicContact CG-CD1 4.4Å; L182-H218 HydrophobicContact CB-CB 4.27Å; L182-H218 HydrophobicContact CD1-CB 4.08Å; L182-H218 PolarHBondContact O-CE1 3.01Å; L182-H218 PolarHBondContact O-ND1 2.79Å; L182-L219 HydrophobicContact CD1-CD2 3.64Å; L182-L219 HydrophobicContact CD1-CG 4.19Å; L182-Y222 HydrophobicContact CD1-CD2 4.12Å; L182-Y222 HydrophobicContact CD1-CE2 3.85Å; L182-Y222 HydrophobicContact CD2-CE2 3.56Å; L182-Y222 HydrophobicContact CG-CE2 4.37Å |
| 183 | E | 87.8 | Confident | 91.4 | Very high | 67 Ų | 67 | 41.9 Ų | 41.9 | 31% | 0.313 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -68.3 | 140.9 | 168.6 | -172.9 | -168.3 | -106.7 | 0 | 0 | 110.6 | D179 K180 G185 S186 | D179-E183 PolarHBondContact O-N 3.49Å; K180-E183 HydrophobicContact CD-CB 4.46Å; K180-E183 WeakPolarHBondContact CD-OE1 3.49Å; K180-E183 WeakPolarHBondContact CD-OE2 3.3Å; K180-E183 WeakPolarHBondContact CE-OE2 3.38Å; K180-E183 IonicContact NZ-OE1 2.68Å; K180-E183 PolarHBondContact NZ-OE1 3.03Å; K180-E183 IonicContact NZ-OE2 3.68Å; K180-E183 PolarHBondContact NZ-OE2 3.45Å; E183-G185 PolarHBondContact O-N 3.47Å; E183-S186 VanDerWaalsContact O-CB 3.32Å; E183-S186 WeakPolarHBondContact O-CB 3.46Å; E183-S186 PolarHBondContact O-N 3.44Å; E183-S186 VanDerWaalsContact O-N 3.17Å; E183-S186 WeakPolarHBondContact OE2-CB 3.17Å |
| 184 | E | 78.8 | Confident | 91.3 | Very high | 146 Ų | 146 | 41.9 Ų | 41.9 | 68% | 0.682 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | 134.1 | 177.9 | -66.3 | -180 | -170.6 | 0 | 0 | 111.3 | S186 | E184-S186 PolarHBondContact O-N 2.93Š|
| 185 | G | 79.6 | Confident | 91.2 | Very high | 87 Ų | 87 | 43.9 Ų | 43.9 | 90% | 0.897 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | 2.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116 | E183 | E183-G185 PolarHBondContact O-N 3.47Š|
| 186 | S | 81 | Confident | 91 | Very high | 28 Ų | 28 | 48.7 Ų | 48.7 | 20% | 0.196 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -93.3 | 179.7 | -179.1 | 0 | 0 | 0 | 0 | 112.4 | K180 E183 E184 | K180-S186 WeakPolarHBondContact O-CB 3.27Å; K180-S186 PolarHBondContact O-OG 2.98Å; E183-S186 VanDerWaalsContact O-CB 3.32Å; E183-S186 WeakPolarHBondContact O-CB 3.46Å; E183-S186 PolarHBondContact O-N 3.44Å; E183-S186 VanDerWaalsContact O-N 3.17Å; E183-S186 WeakPolarHBondContact OE2-CB 3.17Å; E184-S186 PolarHBondContact O-N 2.93Å |
| 187 | F | 88.8 | Confident | 90.9 | Very high | 60 Ų | 60 | 49.9 Ų | 49.9 | 26% | 0.263 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | 5.9 | -178 | -61.4 | -65.8 | 0 | 0 | 0 | 114 | P103 P153 L181 E189 Q190 I191 | P103-F187 HydrophobicContact CB-CD2 4.32Å; P103-F187 HydrophobicContact CB-CE2 4.02Å; P103-F187 WeakPolarHBondContact O-CE2 3.45Å; P153-F187 HydrophobicContact CB-CB 4.14Å; P153-F187 HydrophobicContact CB-CD1 4.32Å; P153-F187 HydrophobicContact CB-CG 4.38Å; P153-F187 HydrophobicContact CG-CB 3.95Å; P153-F187 HydrophobicContact CG-CD1 4.35Å; P153-F187 HydrophobicContact CG-CG 4.05Å; L181-F187 HydrophobicContact CD2-CD2 4.24Å; L181-F187 CarbonylContact O-C 3.59Å; F187-E189 PolarHBondContact O-N 3.04Å; F187-Q190 PolarHBondContact O-N 3.45Å; F187-Q190 PolarHBondContact O-OE1 2.83Å; F187-I191 HydrophobicContact CB-CD1 3.85Å; F187-I191 HydrophobicContact CB-CG1 4.39Å; F187-I191 WeakPolarHBondContact O-CD1 3.43Å; F187-I191 VanDerWaalsContact O-CG1 3.28Å; F187-I191 WeakPolarHBondContact O-CG1 3.44Å; F187-I191 PolarHBondContact O-N 3.24Å |
| 188 | Q | 90.9 | Very high | 91 | Very high | 44 Ų | 44 | 50 Ų | 50 | 21% | 0.206 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.8 | -44.4 | -170.3 | -166.8 | -159.5 | 39 | 0 | 0 | 113.1 | L181 Q190 I191 N192 H218 | L181-Q188 PolarHBondContact O-N 2.84Å; Q188-Q190 PolarHBondContact O-N 2.98Å; Q188-I191 PolarHBondContact O-N 3.45Å; Q188-N192 WeakPolarHBondContact O-CB 3.29Å; Q188-N192 PolarHBondContact O-N 2.94Å; Q188-N192 PolarHBondContact O-ND2 3.09Å; Q188-N192 VanDerWaalsContact O-ND2 3.14Å; Q188-H218 PolarHBondContact NE2-CD2 2.71Å; Q188-H218 PolarHBondContact NE2-CE1 2.8Å; Q188-H218 PolarHBondContact NE2-ND1 2.69Å; Q188-H218 PolarHBondContact NE2-NE2 3.19Å |
| 189 | E | 92.3 | Very high | 90.7 | Very high | 149 Ų | 149 | 51.2 Ų | 51.2 | 70% | 0.696 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -62 | -42.3 | 178.5 | -64.2 | -176.6 | 169.3 | 0 | 0 | 112.3 | F187 I191 W193 | F187-E189 PolarHBondContact O-N 3.04Å; E189-I191 VanDerWaalsContact C-N 3.34Å; E189-W193 WeakPolarHBondContact O-CB 3.41Å; E189-W193 PolarHBondContact O-N 3.03Å; E189-W193 VanDerWaalsContact O-N 3.07Å |
| 190 | Q | 95.6 | Very high | 90.3 | Very high | 55 Ų | 55 | 57.5 Ų | 57.5 | 26% | 0.257 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70.7 | -34.2 | 179.9 | -57.7 | 80.9 | 3.3 | 0 | 0 | 110.8 | P153 K157 F187 Q188 I194 | P153-Q190 HydrophobicContact CB-CB 4.2Å; K157-Q190 HydrophobicContact CD-CB 4.04Å; K157-Q190 HydrophobicContact CD-CG 4.07Å; F187-Q190 PolarHBondContact O-N 3.45Å; F187-Q190 PolarHBondContact O-OE1 2.83Å; Q188-Q190 PolarHBondContact O-N 2.98Å; Q190-I194 WeakPolarHBondContact O-CB 3.4Å; Q190-I194 WeakPolarHBondContact O-CD1 3.48Å; Q190-I194 WeakPolarHBondContact O-CG1 3.47Å; Q190-I194 PolarHBondContact O-N 3.48Å |
| 191 | I | 95.9 | Very high | 90 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -72.6 | -43.6 | 176.5 | -63.7 | 159 | 0 | 0 | 0 | 111.3 | L101 P153 F173 L175 L181 L182 F187 Q188 E189 W193 I194 F195 Y222 | L101-I191 HydrophobicContact CD1-CG1 4.03Å; P153-I191 HydrophobicContact CB-CG1 4.15Å; P153-I191 HydrophobicContact CG-CD1 4.35Å; P153-I191 HydrophobicContact CG-CG1 4.11Å; F173-I191 HydrophobicContact CZ-CG2 4.46Å; L175-I191 HydrophobicContact CD2-CG2 4.39Å; L181-I191 HydrophobicContact CB-CD1 3.66Å; L181-I191 HydrophobicContact CD2-CD1 4.05Å; L181-I191 HydrophobicContact CG-CD1 4.41Å; L181-I191 WeakPolarHBondContact O-CD1 3.33Å; L182-I191 HydrophobicContact CD2-CB 4.37Å; L182-I191 HydrophobicContact CD2-CD1 3.94Å; L182-I191 HydrophobicContact CD2-CG2 4.05Å; F187-I191 HydrophobicContact CB-CD1 3.85Å; F187-I191 HydrophobicContact CB-CG1 4.39Å; F187-I191 WeakPolarHBondContact O-CD1 3.43Å; F187-I191 VanDerWaalsContact O-CG1 3.28Å; F187-I191 WeakPolarHBondContact O-CG1 3.44Å; F187-I191 PolarHBondContact O-N 3.24Å; Q188-I191 PolarHBondContact O-N 3.45Å; E189-I191 VanDerWaalsContact C-N 3.34Å; I191-W193 VanDerWaalsContact C-N 3.29Å; I191-W193 PolarHBondContact O-N 2.87Å; I191-I194 PolarHBondContact O-N 3.44Å; I191-F195 VanDerWaalsContact O-CB 3.3Å; I191-F195 WeakPolarHBondContact O-CB 3.42Å; I191-F195 PolarHBondContact O-N 2.72Å; I191-Y222 HydrophobicContact CG2-CE1 4.28Å |
| 192 | N | 93.9 | Very high | 89.9 | Confident | 70 Ų | 70 | 62.2 Ų | 62.2 | 37% | 0.374 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -51.3 | -51.1 | 170.8 | -83.2 | -47.7 | 0 | 0 | 0 | 110.3 | Q188 F195 S196 Y222 | Q188-N192 WeakPolarHBondContact O-CB 3.29Å; Q188-N192 PolarHBondContact O-N 2.94Å; Q188-N192 PolarHBondContact O-ND2 3.09Å; Q188-N192 VanDerWaalsContact O-ND2 3.14Å; N192-F195 PolarHBondContact O-N 2.86Å; N192-S196 PolarHBondContact O-N 3.45Å; N192-S196 PolarHBondContact O-OG 3.28Å; N192-Y222 PolarHBondContact N-OH 3.41Å; N192-Y222 PolarHBondContact OD1-OH 2.98Å; N192-Y222 VanDerWaalsContact OD1-OH 3.05Å |
| 193 | W | 96 | Very high | 90 | Very high | 86 Ų | 86 | 63.2 Ų | 63.2 | 33% | 0.326 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 179.4 | -173.8 | 97.1 | 0 | 0 | 0 | 113 | K157 I160 E161 E189 I191 S197 | K157-W193 HydrophobicContact CB-CE3 4.14Å; K157-W193 HydrophobicContact CB-CZ3 4.35Å; K157-W193 HydrophobicContact CD-CB 4.28Å; K157-W193 HydrophobicContact CD-CD2 3.98Å; K157-W193 HydrophobicContact CD-CE3 3.86Å; K157-W193 HydrophobicContact CD-CG 4.15Å; K157-W193 HydrophobicContact CG-CD2 4.12Å; K157-W193 HydrophobicContact CG-CE3 3.59Å; K157-W193 HydrophobicContact CG-CZ3 3.92Å; I160-W193 HydrophobicContact CB-CH2 3.96Å; I160-W193 HydrophobicContact CB-CZ3 3.86Å; I160-W193 HydrophobicContact CD1-CZ3 4.4Å; I160-W193 HydrophobicContact CG2-CH2 3.7Å; I160-W193 HydrophobicContact CG2-CZ3 3.88Å; E161-W193 HydrophobicContact CB-CH2 4.38Å; E161-W193 HydrophobicContact CG-CH2 3.39Å; E161-W193 HydrophobicContact CG-CZ2 3.42Å; E161-W193 VanDerWaalsContact CG-CZ2 3.42Å; E161-W193 HydrophobicContact CG-CZ3 4.09Å; E189-W193 WeakPolarHBondContact O-CB 3.41Å; E189-W193 PolarHBondContact O-N 3.03Å; E189-W193 VanDerWaalsContact O-N 3.07Å; I191-W193 VanDerWaalsContact C-N 3.29Å; I191-W193 PolarHBondContact O-N 2.87Å; W193-S197 PolarHBondContact O-N 3Å; W193-S197 PolarHBondContact O-OG 3.38Å |
| 194 | I | 96.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.2 | -49.6 | 175.7 | -72.8 | 162 | 0 | 0 | 0 | 109.6 | L99 L101 P153 I156 K157 I160 F173 Q190 I191 S196 S197 L198 | L99-I194 HydrophobicContact CD2-CG2 3.91Å; L101-I194 HydrophobicContact CD1-CD1 4.1Å; L101-I194 HydrophobicContact CD2-CD1 4.45Å; P153-I194 HydrophobicContact CB-CD1 4.27Å; I156-I194 HydrophobicContact CB-CD1 4.07Å; I156-I194 HydrophobicContact CG2-CD1 3.84Å; I156-I194 HydrophobicContact CG2-CG1 4.22Å; I156-I194 HydrophobicContact CG2-CG2 4.4Å; K157-I194 HydrophobicContact CB-CD1 4.13Å; K157-I194 HydrophobicContact CB-CG1 4.04Å; I160-I194 HydrophobicContact CD1-CG1 4.38Å; I160-I194 HydrophobicContact CD1-CG2 4.34Å; F173-I194 HydrophobicContact CE2-CG2 4.18Å; F173-I194 HydrophobicContact CZ-CG2 4.36Å; Q190-I194 WeakPolarHBondContact O-CB 3.4Å; Q190-I194 WeakPolarHBondContact O-CD1 3.48Å; Q190-I194 WeakPolarHBondContact O-CG1 3.47Å; Q190-I194 PolarHBondContact O-N 3.48Å; I191-I194 PolarHBondContact O-N 3.44Å; I194-S196 VanDerWaalsContact C-N 3.35Å; I194-S196 PolarHBondContact O-N 2.87Å; I194-S197 CarbonylContact O-C 3.52Å; I194-S197 WeakPolarHBondContact O-CA 3.42Å; I194-S197 VanDerWaalsContact O-CB 3.3Å; I194-S197 WeakPolarHBondContact O-CB 3.44Å; I194-S197 PolarHBondContact O-N 3.22Å; I194-L198 HydrophobicContact CG2-CG 4.48Å; I194-L198 WeakPolarHBondContact O-CG 3.19Å; I194-L198 PolarHBondContact O-N 3.08Å |
| 195 | F | 95 | Very high | 91.2 | Very high | 43 Ų | 43 | 53.3 Ų | 53.3 | 19% | 0.189 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.4 | -41.7 | -178.4 | -178.7 | -89.4 | 0 | 0 | 0 | 112.2 | F173 I191 N192 S197 L198 M204 Y222 | F173-F195 HydrophobicContact CD1-CD2 4.18Å; F173-F195 AromaticContact CE1-CD2 3.99Å; F173-F195 HydrophobicContact CE1-CD2 3.99Å; I191-F195 VanDerWaalsContact O-CB 3.3Å; I191-F195 WeakPolarHBondContact O-CB 3.42Å; I191-F195 PolarHBondContact O-N 2.72Å; N192-F195 PolarHBondContact O-N 2.86Å; F195-S197 PolarHBondContact O-N 3.4Å; F195-L198 PolarHBondContact O-N 3.14Å; F195-L198 VanDerWaalsContact O-N 3.11Å; F195-M204 HydrophobicContact CD2-SD 4.39Å; F195-M204 HydrophobicContact CE2-SD 4Å; F195-Y222 HydrophobicContact CB-CD1 4.14Å; F195-Y222 HydrophobicContact CB-CE1 3.94Å; F195-Y222 AromaticContact CD1-CD1 3.89Å; F195-Y222 HydrophobicContact CD1-CD1 3.89Å; F195-Y222 HydrophobicContact CD1-CE1 4.28Å; F195-Y222 AromaticContact CD2-CD1 3.66Å; F195-Y222 HydrophobicContact CD2-CD1 3.66Å; F195-Y222 HydrophobicContact CD2-CE1 4.31Å; F195-Y222 HydrophobicContact CE1-CD1 4.15Å; F195-Y222 AromaticContact CE2-CD1 3.93Å; F195-Y222 HydrophobicContact CE2-CD1 3.93Å; F195-Y222 WeakPolarHBondContact CE2-O 3.21Å; F195-Y222 AromaticContact CG-CD1 3.63Å; F195-Y222 HydrophobicContact CG-CD1 3.63Å; F195-Y222 AromaticContact CG-CE1 3.94Å; F195-Y222 HydrophobicContact CG-CE1 3.94Å; F195-Y222 HydrophobicContact CZ-CD1 4.17Å; F195-Y222 WeakPolarHBondContact CZ-O 3.3Å |
| 196 | S | 93.9 | Very high | 92.1 | Very high | 101 Ų | 101 | 49.3 Ų | 49.3 | 71% | 0.706 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -63.3 | -18.6 | 171.9 | -58.2 | 0 | 0 | 0 | 0 | 113.9 | N192 I194 | N192-S196 PolarHBondContact O-N 3.45Å; N192-S196 PolarHBondContact O-OG 3.28Å; I194-S196 VanDerWaalsContact C-N 3.35Å; I194-S196 PolarHBondContact O-N 2.87Å |
| 197 | S | 94.4 | Very high | 92.7 | Very high | 34 Ų | 34 | 48 Ų | 48 | 24% | 0.238 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -1.1 | 176.6 | -51.7 | 0 | 0 | 0 | 0 | 113.2 | T167 W193 I194 F195 | T167-S197 WeakPolarHBondContact CB-O 3.33Å; T167-S197 PolarHBondContact OG1-O 3Å; W193-S197 PolarHBondContact O-N 3Å; W193-S197 PolarHBondContact O-OG 3.38Å; I194-S197 CarbonylContact O-C 3.52Å; I194-S197 WeakPolarHBondContact O-CA 3.42Å; I194-S197 VanDerWaalsContact O-CB 3.3Å; I194-S197 WeakPolarHBondContact O-CB 3.44Å; I194-S197 PolarHBondContact O-N 3.22Å; F195-S197 PolarHBondContact O-N 3.4Å |
| 198 | L | 92.9 | Very high | 92.9 | Very high | 16 Ų | 16 | 45.4 Ų | 45.4 | 8% | 0.084 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -93.1 | 158.2 | 175.8 | -62 | -176 | 0 | 0 | 0 | 111.6 | L99 T167 I170 F173 I194 F195 K202 | L99-L198 HydrophobicContact CD2-CD1 4.48Å; L99-L198 HydrophobicContact CD2-CD2 4.04Å; T167-L198 HydrophobicContact CG2-CD2 3.95Å; I170-L198 HydrophobicContact CB-CD2 4.41Å; I170-L198 HydrophobicContact CD1-CD2 3.57Å; I170-L198 HydrophobicContact CG2-CD2 4.33Å; F173-L198 HydrophobicContact CB-CD1 3.99Å; F173-L198 HydrophobicContact CD1-CD1 4.02Å; F173-L198 HydrophobicContact CD2-CD1 3.49Å; F173-L198 VanDerWaalsContact CD2-CD1 3.49Å; F173-L198 HydrophobicContact CE1-CD1 4.34Å; F173-L198 HydrophobicContact CE2-CD1 3.85Å; F173-L198 HydrophobicContact CG-CD1 3.57Å; F173-L198 HydrophobicContact CZ-CD1 4.25Å; I194-L198 HydrophobicContact CG2-CG 4.48Å; I194-L198 WeakPolarHBondContact O-CG 3.19Å; I194-L198 PolarHBondContact O-N 3.08Å; F195-L198 PolarHBondContact O-N 3.14Å; F195-L198 VanDerWaalsContact O-N 3.11Å; L198-K202 HydrophobicContact CB-CD 3.78Å; L198-K202 HydrophobicContact CD1-CD 3.91Å |
| 199 | P | 87.8 | Confident | 92.6 | Very high | 28 Ų | 28 | 43.8 Ų | 43.8 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | trans | -53.5 | 151.4 | 170.9 | -28.4 | 38.1 | 0 | 0 | 0 | 113.1 | T167 I170 K202 | T167-P199 VanDerWaalsContact O-CD 3.25Å; T167-P199 WeakPolarHBondContact O-CD 3.41Å; T167-P199 WeakPolarHBondContact O-CG 3.23Å; I170-P199 WeakPolarHBondContact O-CG 3.25Å; P199-K202 VanDerWaalsContact O-CD 3.3Å; P199-K202 WeakPolarHBondContact O-CD 3.47Å; P199-K202 PolarHBondContact O-NZ 3.27Å | ||
| 200 | V | 81.9 | Confident | 92.3 | Very high | 143 Ų | 143 | 36.8 Ų | 36.8 | 87% | 0.867 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -65.9 | -52.9 | 175.3 | -179.3 | 0 | 0 | 0 | 0 | 110 | K202 | V200-K202 PolarHBondContact O-N 3.44Š|
| 201 | N | 83.4 | Confident | 92 | Very high | 117 Ų | 117 | 36.6 Ų | 36.6 | 63% | 0.626 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -78.8 | 101.6 | 174.5 | -173.4 | -2.6 | 0 | 0 | 0 | 110.5 | ||
| 202 | K | 89.4 | Confident | 91.6 | Very high | 30 Ų | 30 | 37.7 Ų | 37.7 | 13% | 0.13 | 21% | 0.208 | C | C | . | . | trans | -155.5 | 149.2 | 173.9 | 64.3 | -171.5 | 173.8 | -61.4 | 0 | 108.1 | R171 F173 L198 P199 V200 | R171-K202 CarbonylContact O-C 3.58Å; R171-K202 VanDerWaalsContact O-CA 3.27Å; R171-K202 WeakPolarHBondContact O-CA 3.07Å; F173-K202 HydrophobicContact CB-CD 4.39Å; L198-K202 HydrophobicContact CB-CD 3.78Å; L198-K202 HydrophobicContact CD1-CD 3.91Å; P199-K202 VanDerWaalsContact O-CD 3.3Å; P199-K202 WeakPolarHBondContact O-CD 3.47Å; P199-K202 PolarHBondContact O-NZ 3.27Å; V200-K202 PolarHBondContact O-N 3.44Å | ||
| 203 | Q | 92.8 | Very high | 91.2 | Very high | 24 Ų | 24 | 40.3 Ų | 40.3 | 11% | 0.112 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 143.9 | 165.8 | -177.6 | -177.3 | 19.3 | 0 | 0 | 109.9 | G61 L65 R171 L172 F173 L205 | G61-Q203 PolarHBondContact O-NE2 3.35Å; L65-Q203 PolarHBondContact O-NE2 2.93Å; R171-Q203 PolarHBondContact O-N 3.23Å; L172-Q203 HydrophobicContact CD1-CB 4.02Å; L172-Q203 HydrophobicContact CD1-CG 3.97Å; F173-Q203 PolarHBondContact N-O 3.49Å; Q203-L205 HydrophobicContact CG-CD2 4.4Å |
| 204 | M | 95.8 | Very high | 90.8 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 131.9 | 174.7 | -176.6 | 158.9 | 162 | 0 | 0 | 112.3 | D66 L67 F173 L175 F195 L219 Y222 M223 | D66-M204 CarbonylContact C-O 3.57Å; D66-M204 VanDerWaalsContact CA-O 3.27Å; D66-M204 WeakPolarHBondContact CA-O 3.32Å; D66-M204 PolarHBondContact OD1-N 2.8Å; L67-M204 PolarHBondContact N-O 2.84Å; F173-M204 HydrophobicContact CD1-CG 4.18Å; F173-M204 HydrophobicContact CD1-SD 3.82Å; F173-M204 HydrophobicContact CE1-CE 4.47Å; F173-M204 HydrophobicContact CE1-SD 4.21Å; F173-M204 CarbonylContact O-C 3.47Å; F173-M204 VanDerWaalsContact O-CA 3.3Å; F173-M204 WeakPolarHBondContact O-CA 3.4Å; L175-M204 HydrophobicContact CD1-CE 3.51Å; L175-M204 HydrophobicContact CG-CE 4.05Å; F195-M204 HydrophobicContact CD2-SD 4.39Å; F195-M204 HydrophobicContact CE2-SD 4Å; M204-L219 HydrophobicContact CE-CD2 4Å; M204-Y222 HydrophobicContact CE-CG 4.2Å; M204-M223 HydrophobicContact CB-CE 4.1Å; M204-M223 HydrophobicContact CB-CG 4.27Å; M204-M223 HydrophobicContact CE-CG 3.86Å; M204-M223 HydrophobicContact CE-SD 4.17Å; M204-M223 HydrophobicContact CG-CE 3.98Å; M204-M223 HydrophobicContact CG-CG 3.93Å; M204-M223 HydrophobicContact CG-SD 4.26Å; M204-M223 WeakPolarHBondContact O-CE 3.35Å; M204-M223 HydrophobicContact SD-CG 3.76Å |
| 205 | L | 97.6 | Very high | 90.5 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 122.9 | 173.4 | -53.2 | 178 | 0 | 0 | 0 | 109.7 | L67 F81 I84 L172 F173 V174 L175 Q203 L207 | L67-L205 HydrophobicContact CB-CD2 3.65Å; L67-L205 HydrophobicContact CD1-CD2 3.96Å; L67-L205 HydrophobicContact CG-CD2 3.65Å; L67-L205 WeakPolarHBondContact O-CA 3.29Å; F81-L205 HydrophobicContact CB-CD1 3.84Å; I84-L205 HydrophobicContact CB-CD1 4.4Å; I84-L205 HydrophobicContact CD1-CD1 3.92Å; I84-L205 HydrophobicContact CG2-CD1 4.21Å; L172-L205 HydrophobicContact CD1-CD1 3.85Å; L172-L205 HydrophobicContact CD1-CG 3.84Å; F173-L205 PolarHBondContact O-N 2.83Å; V174-L205 CarbonylContact C-O 3.58Å; V174-L205 WeakPolarHBondContact CA-O 3.41Å; V174-L205 HydrophobicContact CG1-CB 4.3Å; V174-L205 HydrophobicContact CG2-CB 4.25Å; V174-L205 HydrophobicContact CG2-CD1 4.17Å; V174-L205 HydrophobicContact CG2-CG 4.48Å; L175-L205 PolarHBondContact N-O 2.74Å; Q203-L205 HydrophobicContact CG-CD2 4.4Å; L205-L207 HydrophobicContact CB-CD1 4.08Å |
| 206 | A | 96.9 | Very high | 90.1 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 2% | 0.017 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 120.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | L67 I68 V69 A178 L219 M223 | L67-A206 PolarHBondContact O-N 3.19Å; I68-A206 CarbonylContact C-O 3.56Å; I68-A206 WeakPolarHBondContact CA-O 3.08Å; I68-A206 HydrophobicContact CG1-CB 4.47Å; V69-A206 PolarHBondContact N-O 3.25Å; A178-A206 HydrophobicContact CB-CB 4.32Å; A206-L219 HydrophobicContact CB-CD1 3.96Å; A206-L219 HydrophobicContact CB-CD2 3.58Å; A206-L219 HydrophobicContact CB-CG 4.44Å; A206-M223 HydrophobicContact CB-CE 4.45Å; A206-M223 HydrophobicContact CB-SD 3.92Å |
| 207 | L | 95.1 | Very high | 89.9 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 134.8 | -175.2 | -61.6 | 100.6 | 0 | 0 | 0 | 111.7 | V69 K77 V80 F81 V174 L175 E177 A178 L205 | V69-L207 HydrophobicContact CB-CD2 3.84Å; V69-L207 HydrophobicContact CB-CG 3.94Å; V69-L207 HydrophobicContact CG1-CD2 4.1Å; V69-L207 HydrophobicContact CG2-CD2 4.22Å; V69-L207 HydrophobicContact CG2-CG 4.29Å; V69-L207 WeakPolarHBondContact O-CA 3.07Å; K77-L207 HydrophobicContact CB-CD2 4.11Å; K77-L207 HydrophobicContact CD-CB 4.4Å; V80-L207 HydrophobicContact CB-CD2 4.45Å; F81-L207 HydrophobicContact CB-CD1 4.09Å; F81-L207 HydrophobicContact CD1-CD1 3.47Å; F81-L207 VanDerWaalsContact CD1-CD1 3.47Å; F81-L207 HydrophobicContact CD1-CD2 3.7Å; F81-L207 HydrophobicContact CD1-CG 4.15Å; F81-L207 HydrophobicContact CE1-CD1 4.13Å; F81-L207 HydrophobicContact CE1-CD2 4.35Å; F81-L207 HydrophobicContact CG-CD1 4.11Å; V174-L207 HydrophobicContact CG1-CD1 3.8Å; L175-L207 PolarHBondContact O-N 2.83Å; E177-L207 WeakPolarHBondContact CA-O 3.39Å; E177-L207 PolarHBondContact N-O 3.06Å; E177-L207 VanDerWaalsContact N-O 3.09Å; A178-L207 PolarHBondContact N-O 2.94Å; L205-L207 HydrophobicContact CB-CD1 4.08Å |
| 208 | S | 91.7 | Very high | 89.6 | Confident | 5 Ų | 5 | 35.5 Ų | 35.5 | 4% | 0.035 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 170.3 | 172.5 | -174.2 | 0 | 0 | 0 | 0 | 112.7 | V69 A71 K77 D179 T210 | V69-S208 PolarHBondContact O-N 2.83Å; V69-S208 VanDerWaalsContact O-N 3.17Å; A71-S208 PolarHBondContact N-O 2.88Å; A71-S208 VanDerWaalsContact N-O 3.12Å; K77-S208 WeakPolarHBondContact CD-O 3.46Å; K77-S208 VanDerWaalsContact CE-C 3.49Å; K77-S208 WeakPolarHBondContact CE-O 3.36Å; K77-S208 PolarHBondContact NZ-O 2.89Å; D179-S208 WeakPolarHBondContact CB-OG 3.45Å; D179-S208 PolarHBondContact OD1-OG 3.14Å; S208-T210 VanDerWaalsContact CB-O 3.28Å; S208-T210 WeakPolarHBondContact CB-O 3.49Å; S208-T210 PolarHBondContact OG-N 3.13Å; S208-T210 VanDerWaalsContact OG-N 3.11Å; S208-T210 PolarHBondContact OG-O 3.23Å; S208-T210 VanDerWaalsContact OG-O 3.07Å |
| 209 | A | 86.3 | Confident | 89.5 | Confident | 11 Ų | 11 | 34.8 Ų | 34.8 | 9% | 0.091 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -88.1 | -28.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q70 A71 | Q70-A209 PolarHBondContact NE2-O 2.8Å; A71-A209 VanDerWaalsContact O-CA 3.3Å; A71-A209 WeakPolarHBondContact O-CA 3.45Å |
| 210 | T | 86.1 | Confident | 89.4 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | trans | -117.3 | 155.4 | -177.4 | 52.8 | 0 | 0 | 0 | 0 | 110.2 | D179 S208 W355 E356 | D179-T210 WeakPolarHBondContact CB-OG1 3.39Å; D179-T210 PolarHBondContact OD2-OG1 2.93Å; S208-T210 VanDerWaalsContact CB-O 3.28Å; S208-T210 WeakPolarHBondContact CB-O 3.49Å; S208-T210 PolarHBondContact OG-N 3.13Å; S208-T210 VanDerWaalsContact OG-N 3.11Å; S208-T210 PolarHBondContact OG-O 3.23Å; S208-T210 VanDerWaalsContact OG-O 3.07Å; T210-W355 HydrophobicContact CG2-CE3 4.45Å; T210-W355 HydrophobicContact CG2-CH2 3.64Å; T210-W355 HydrophobicContact CG2-CZ3 3.59Å; T210-E356 HydrophobicContact CG2-CB 4.28Å; T210-E356 HydrophobicContact CG2-CG 4.22Å | ||
| 211 | Y | 88.3 | Confident | 89.7 | Confident | 52 Ų | 52 | 39.6 Ų | 39.6 | 20% | 0.204 | 20% | 0.197 | C | C | . | . | trans | -140.1 | 72.5 | 178.8 | -161.3 | -100.1 | 0 | 0 | 0 | 110.1 | I68 L215 A216 L219 F228 | I68-Y211 HydrophobicContact CG2-CD2 4.22Å; I68-Y211 HydrophobicContact CG2-CE2 3.54Å; Y211-L215 HydrophobicContact CD2-CD2 3.72Å; Y211-L215 HydrophobicContact CD2-CG 4.25Å; Y211-L215 HydrophobicContact CE2-CD2 4.08Å; Y211-L215 HydrophobicContact CE2-CG 4.18Å; Y211-A216 HydrophobicContact CD1-CB 4.5Å; Y211-A216 HydrophobicContact CE1-CB 3.59Å; Y211-L219 HydrophobicContact CE2-CD1 3.82Å; Y211-F228 HydrophobicContact CD1-CE2 4.27Å; Y211-F228 HydrophobicContact CD1-CZ 4.33Å; Y211-F228 HydrophobicContact CD2-CE2 4.18Å; Y211-F228 AromaticContact CE1-CE2 3.89Å; Y211-F228 HydrophobicContact CE1-CE2 3.89Å; Y211-F228 HydrophobicContact CE1-CZ 4.36Å; Y211-F228 AromaticContact CE2-CE2 3.84Å; Y211-F228 HydrophobicContact CE2-CE2 3.84Å; Y211-F228 HydrophobicContact CG-CE2 4.38Å; Y211-F228 HydrophobicContact CG-CZ 4.4Å; Y211-F228 AromaticContact CZ-CE2 3.67Å | ||
| 212 | P | 86.6 | Confident | 89.9 | Confident | 23 Ų | 23 | 34.9 Ų | 34.9 | 15% | 0.149 | 17% | 0.171 | C | C | . | . | trans | -69.4 | 156.6 | 174.8 | 31.1 | -35 | 0 | 0 | 0 | 110.7 | S214 L215 A216 | P212-S214 PolarHBondContact O-N 3.22Å; P212-L215 HydrophobicContact CG-CB 3.93Å; P212-L215 WeakPolarHBondContact O-CB 3.28Å; P212-L215 PolarHBondContact O-N 2.89Å; P212-A216 PolarHBondContact O-N 2.82Å | ||
| 213 | E | 86.2 | Confident | 89.9 | Confident | 124 Ų | 124 | 34.2 Ų | 34.2 | 58% | 0.579 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -54.5 | -37.2 | 179.5 | 179.2 | 56.5 | -150.6 | 0 | 0 | 112.9 | L215 A216 Q217 | E213-L215 VanDerWaalsContact C-N 3.33Å; E213-L215 PolarHBondContact O-N 3.41Å; E213-A216 WeakPolarHBondContact O-CB 3.34Å; E213-A216 PolarHBondContact O-N 3.11Å; E213-Q217 WeakPolarHBondContact O-CG 3.24Å; E213-Q217 PolarHBondContact O-N 3.07Å; E213-Q217 WeakPolarHBondContact OE1-CG 3.46Å; E213-Q217 PolarHBondContact OE1-NE2 3.03Å |
| 214 | S | 87.7 | Confident | 89.3 | Confident | 46 Ų | 46 | 37.8 Ų | 37.8 | 32% | 0.322 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62 | -36 | 174.7 | 51 | 0 | 0 | 0 | 0 | 113.2 | P212 H218 | P212-S214 PolarHBondContact O-N 3.22Å; S214-H218 VanDerWaalsContact O-CG 3.24Å; S214-H218 PolarHBondContact O-N 3.35Å; S214-H218 PolarHBondContact O-ND1 3.16Å |
| 215 | L | 90.3 | Very high | 88.7 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.4 | -42.2 | 174.5 | 179.1 | 61.3 | 0 | 0 | 0 | 110.7 | A178 D179 L182 Y211 P212 E213 H218 L219 | A178-L215 HydrophobicContact CB-CD1 4.16Å; A178-L215 WeakPolarHBondContact O-CD1 3.42Å; D179-L215 HydrophobicContact CB-CD2 4.13Å; L182-L215 HydrophobicContact CB-CD1 3.97Å; L182-L215 HydrophobicContact CD1-CD1 3.88Å; L182-L215 HydrophobicContact CG-CD1 4.4Å; Y211-L215 HydrophobicContact CD2-CD2 3.72Å; Y211-L215 HydrophobicContact CD2-CG 4.25Å; Y211-L215 HydrophobicContact CE2-CD2 4.08Å; Y211-L215 HydrophobicContact CE2-CG 4.18Å; P212-L215 HydrophobicContact CG-CB 3.93Å; P212-L215 WeakPolarHBondContact O-CB 3.28Å; P212-L215 PolarHBondContact O-N 2.89Å; E213-L215 VanDerWaalsContact C-N 3.33Å; E213-L215 PolarHBondContact O-N 3.41Å; L215-H218 PolarHBondContact O-N 3.23Å; L215-L219 HydrophobicContact CD1-CD1 3.82Å; L215-L219 HydrophobicContact CD1-CD2 4.43Å; L215-L219 HydrophobicContact CD1-CG 3.93Å; L215-L219 HydrophobicContact CD2-CD1 4.35Å; L215-L219 HydrophobicContact CG-CD1 3.76Å; L215-L219 HydrophobicContact CG-CG 4.27Å; L215-L219 WeakPolarHBondContact O-CG 3.46Å; L215-L219 PolarHBondContact O-N 2.81Å |
| 216 | A | 87.9 | Confident | 88.2 | Confident | 9 Ų | 9 | 47.4 Ų | 47.4 | 7% | 0.074 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.1 | -50.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y211 P212 E213 H218 L219 T220 | Y211-A216 HydrophobicContact CD1-CB 4.5Å; Y211-A216 HydrophobicContact CE1-CB 3.59Å; P212-A216 PolarHBondContact O-N 2.82Å; E213-A216 WeakPolarHBondContact O-CB 3.34Å; E213-A216 PolarHBondContact O-N 3.11Å; A216-H218 PolarHBondContact O-N 2.97Å; A216-H218 VanDerWaalsContact O-N 3.16Å; A216-L219 PolarHBondContact O-N 3.5Å; A216-T220 PolarHBondContact O-N 3.23Å; A216-T220 VanDerWaalsContact O-N 3.13Å; A216-T220 PolarHBondContact O-OG1 3.37Å |
| 217 | Q | 88.1 | Confident | 87.8 | Confident | 93 Ų | 93 | 48.7 Ų | 48.7 | 44% | 0.435 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.8 | -23.4 | 179.4 | -68.9 | 178.5 | 16 | 0 | 0 | 114.2 | E213 R221 | E213-Q217 WeakPolarHBondContact O-CG 3.24Å; E213-Q217 PolarHBondContact O-N 3.07Å; E213-Q217 WeakPolarHBondContact OE1-CG 3.46Å; E213-Q217 PolarHBondContact OE1-NE2 3.03Å; Q217-R221 PolarHBondContact O-NE 3.24Å |
| 218 | H | 89.6 | Confident | 87.5 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 6% | 0.056 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -84.7 | -45.9 | 173.2 | -64.3 | 150.5 | 0 | 0 | 0 | 112.1 | L182 Q188 S214 L215 A216 T220 R221 Y222 | L182-H218 HydrophobicContact CB-CB 4.27Å; L182-H218 HydrophobicContact CD1-CB 4.08Å; L182-H218 PolarHBondContact O-CE1 3.01Å; L182-H218 PolarHBondContact O-ND1 2.79Å; Q188-H218 PolarHBondContact NE2-CD2 2.71Å; Q188-H218 PolarHBondContact NE2-CE1 2.8Å; Q188-H218 PolarHBondContact NE2-ND1 2.69Å; Q188-H218 PolarHBondContact NE2-NE2 3.19Å; S214-H218 VanDerWaalsContact O-CG 3.24Å; S214-H218 PolarHBondContact O-N 3.35Å; S214-H218 PolarHBondContact O-ND1 3.16Å; L215-H218 PolarHBondContact O-N 3.23Å; A216-H218 PolarHBondContact O-N 2.97Å; A216-H218 VanDerWaalsContact O-N 3.16Å; H218-T220 VanDerWaalsContact C-N 3.33Å; H218-T220 PolarHBondContact O-N 3.46Å; H218-R221 WeakPolarHBondContact O-CB 2.99Å; H218-R221 PolarHBondContact O-N 2.79Å; H218-Y222 HydrophobicContact CB-CE2 4.43Å; H218-Y222 WeakPolarHBondContact O-CD2 3.2Å |
| 219 | L | 90.6 | Very high | 87.3 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.5 | -35.7 | -177.8 | -68 | 173.6 | 0 | 0 | 0 | 113 | I68 L182 M204 A206 Y211 L215 A216 R221 Y222 M223 | I68-L219 HydrophobicContact CD1-CB 4.08Å; I68-L219 HydrophobicContact CD1-CD1 3.97Å; I68-L219 HydrophobicContact CG1-CD1 4.14Å; I68-L219 HydrophobicContact CG2-CD1 4.18Å; L182-L219 HydrophobicContact CD1-CD2 3.64Å; L182-L219 HydrophobicContact CD1-CG 4.19Å; M204-L219 HydrophobicContact CE-CD2 4Å; A206-L219 HydrophobicContact CB-CD1 3.96Å; A206-L219 HydrophobicContact CB-CD2 3.58Å; A206-L219 HydrophobicContact CB-CG 4.44Å; Y211-L219 HydrophobicContact CE2-CD1 3.82Å; L215-L219 HydrophobicContact CD1-CD1 3.82Å; L215-L219 HydrophobicContact CD1-CD2 4.43Å; L215-L219 HydrophobicContact CD1-CG 3.93Å; L215-L219 HydrophobicContact CD2-CD1 4.35Å; L215-L219 HydrophobicContact CG-CD1 3.76Å; L215-L219 HydrophobicContact CG-CG 4.27Å; L215-L219 WeakPolarHBondContact O-CG 3.46Å; L215-L219 PolarHBondContact O-N 2.81Å; A216-L219 PolarHBondContact O-N 3.5Å; L219-R221 PolarHBondContact O-N 3.13Å; L219-Y222 PolarHBondContact O-N 2.98Å; L219-M223 HydrophobicContact CB-SD 4.23Å; L219-M223 HydrophobicContact CD2-SD 3.91Å; L219-M223 HydrophobicContact CG-SD 4.49Å; L219-M223 PolarHBondContact O-N 3.35Å |
| 220 | T | 86.1 | Confident | 87.2 | Confident | 95 Ų | 95 | 53.6 Ų | 53.6 | 58% | 0.583 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -59.3 | -14.6 | 172.9 | -52 | 0 | 0 | 0 | 0 | 113.8 | A216 H218 | A216-T220 PolarHBondContact O-N 3.23Å; A216-T220 VanDerWaalsContact O-N 3.13Å; A216-T220 PolarHBondContact O-OG1 3.37Å; H218-T220 VanDerWaalsContact C-N 3.33Å; H218-T220 PolarHBondContact O-N 3.46Å |
| 221 | R | 86.9 | Confident | 86.5 | Confident | 178 Ų | 178 | 55 Ų | 55 | 67% | 0.672 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -97 | -16.2 | 175.6 | -53 | 178.8 | -162.5 | 174 | 3.9 | 113.7 | Q217 H218 L219 | Q217-R221 PolarHBondContact O-NE 3.24Å; H218-R221 WeakPolarHBondContact O-CB 2.99Å; H218-R221 PolarHBondContact O-N 2.79Å; L219-R221 PolarHBondContact O-N 3.13Å |
| 222 | Y | 87.8 | Confident | 85.4 | Confident | 18 Ų | 18 | 54.8 Ų | 54.8 | 7% | 0.071 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -104.5 | -32.7 | -176.8 | -71 | -71.1 | 0 | 0 | 0 | 113.2 | L182 I191 N192 F195 M204 H218 L219 | L182-Y222 HydrophobicContact CD1-CD2 4.12Å; L182-Y222 HydrophobicContact CD1-CE2 3.85Å; L182-Y222 HydrophobicContact CD2-CE2 3.56Å; L182-Y222 HydrophobicContact CG-CE2 4.37Å; I191-Y222 HydrophobicContact CG2-CE1 4.28Å; N192-Y222 PolarHBondContact N-OH 3.41Å; N192-Y222 PolarHBondContact OD1-OH 2.98Å; N192-Y222 VanDerWaalsContact OD1-OH 3.05Å; F195-Y222 HydrophobicContact CB-CD1 4.14Å; F195-Y222 HydrophobicContact CB-CE1 3.94Å; F195-Y222 AromaticContact CD1-CD1 3.89Å; F195-Y222 HydrophobicContact CD1-CD1 3.89Å; F195-Y222 HydrophobicContact CD1-CE1 4.28Å; F195-Y222 AromaticContact CD2-CD1 3.66Å; F195-Y222 HydrophobicContact CD2-CD1 3.66Å; F195-Y222 HydrophobicContact CD2-CE1 4.31Å; F195-Y222 HydrophobicContact CE1-CD1 4.15Å; F195-Y222 AromaticContact CE2-CD1 3.93Å; F195-Y222 HydrophobicContact CE2-CD1 3.93Å; F195-Y222 WeakPolarHBondContact CE2-O 3.21Å; F195-Y222 AromaticContact CG-CD1 3.63Å; F195-Y222 HydrophobicContact CG-CD1 3.63Å; F195-Y222 AromaticContact CG-CE1 3.94Å; F195-Y222 HydrophobicContact CG-CE1 3.94Å; F195-Y222 HydrophobicContact CZ-CD1 4.17Å; F195-Y222 WeakPolarHBondContact CZ-O 3.3Å; M204-Y222 HydrophobicContact CE-CG 4.2Å; H218-Y222 HydrophobicContact CB-CE2 4.43Å; H218-Y222 WeakPolarHBondContact O-CD2 3.2Å; L219-Y222 PolarHBondContact O-N 2.98Å |
| 223 | M | 89.5 | Confident | 84.2 | Confident | 15 Ų | 15 | 57.2 Ų | 57.2 | 7% | 0.074 | 29% | 0.287 | C | S | . | . | trans | -108.5 | 144.7 | -167.3 | -55.5 | -174 | 73 | 0 | 0 | 111.5 | D66 L67 I68 M204 A206 L219 P226 | D66-M223 HydrophobicContact CB-CB 4.43Å; D66-M223 HydrophobicContact CB-CE 3.78Å; D66-M223 WeakPolarHBondContact OD2-CA 3.44Å; D66-M223 WeakPolarHBondContact OD2-CB 3.2Å; L67-M223 VanDerWaalsContact O-CE 3.26Å; L67-M223 WeakPolarHBondContact O-CE 3.35Å; I68-M223 HydrophobicContact CD1-SD 3.97Å; I68-M223 HydrophobicContact CG1-CE 3.94Å; I68-M223 HydrophobicContact CG1-SD 3.54Å; I68-M223 VanDerWaalsContact CG1-SD 3.54Å; M204-M223 HydrophobicContact CB-CE 4.1Å; M204-M223 HydrophobicContact CB-CG 4.27Å; M204-M223 HydrophobicContact CE-CG 3.86Å; M204-M223 HydrophobicContact CE-SD 4.17Å; M204-M223 HydrophobicContact CG-CE 3.98Å; M204-M223 HydrophobicContact CG-CG 3.93Å; M204-M223 HydrophobicContact CG-SD 4.26Å; M204-M223 WeakPolarHBondContact O-CE 3.35Å; M204-M223 HydrophobicContact SD-CG 3.76Å; A206-M223 HydrophobicContact CB-CE 4.45Å; A206-M223 HydrophobicContact CB-SD 3.92Å; L219-M223 HydrophobicContact CB-SD 4.23Å; L219-M223 HydrophobicContact CD2-SD 3.91Å; L219-M223 HydrophobicContact CG-SD 4.49Å; L219-M223 PolarHBondContact O-N 3.35Å; M223-P226 HydrophobicContact CB-CB 3.95Å; M223-P226 HydrophobicContact CB-CG 3.95Å; M223-P226 HydrophobicContact CE-CB 3.95Å; M223-P226 HydrophobicContact SD-CB 4.26Å | ||
| 224 | N | 79.8 | Confident | 83.1 | Confident | 99 Ų | 99 | 57.1 Ų | 57.1 | 53% | 0.529 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -104 | 111 | 179.1 | -178.7 | 96 | 0 | 0 | 0 | 110.5 | D66 | D66-N224 PolarHBondContact OD2-N 3.07Š|
| 225 | E | 83.5 | Confident | 82.1 | Confident | 168 Ų | 168 | 57.1 Ų | 57.1 | 79% | 0.785 | 30% | 0.296 | S | S | * | . | S | Bend | trans | 50.6 | 51.6 | 179.1 | -61.2 | 171.2 | 141.9 | 0 | 0 | 112.9 | T227 | E225-T227 PolarHBondContact O-N 3.29Š|
| 226 | P | 88.4 | Confident | 80.9 | Confident | 40 Ų | 40 | 59.4 Ų | 59.4 | 26% | 0.26 | 31% | 0.308 | S | S | . | . | trans | -66.6 | 127.7 | -171.4 | 27.3 | -35.3 | 0 | 0 | 0 | 112.7 | D66 I68 M223 F228 | D66-P226 HydrophobicContact CB-CB 4.14Å; D66-P226 CarbonylContact O-C 3.5Å; D66-P226 VanDerWaalsContact O-CA 3.32Å; D66-P226 WeakPolarHBondContact O-CA 3.43Å; I68-P226 HydrophobicContact CD1-CB 3.8Å; I68-P226 HydrophobicContact CD1-CG 3.78Å; I68-P226 HydrophobicContact CG1-CB 3.92Å; I68-P226 HydrophobicContact CG1-CG 4.45Å; M223-P226 HydrophobicContact CB-CB 3.95Å; M223-P226 HydrophobicContact CB-CG 3.95Å; M223-P226 HydrophobicContact CE-CB 3.95Å; M223-P226 HydrophobicContact SD-CB 4.26Å; P226-F228 PolarHBondContact O-N 2.94Å | ||
| 227 | T | 87.2 | Confident | 80 | Confident | 28 Ų | 28 | 59.8 Ų | 59.8 | 17% | 0.172 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 124.1 | 172 | -60.4 | 0 | 0 | 0 | 0 | 110.1 | L60 D66 L67 I68 E225 V229 | L60-T227 HydrophobicContact CD1-CG2 3.98Å; D66-T227 PolarHBondContact O-N 2.99Å; L67-T227 WeakPolarHBondContact CA-O 3.22Å; L67-T227 HydrophobicContact CD2-CG2 4.48Å; I68-T227 PolarHBondContact N-O 2.93Å; E225-T227 PolarHBondContact O-N 3.29Å; T227-V229 HydrophobicContact CG2-CG2 4.49Å |
| 228 | F | 88.3 | Confident | 79.5 | Confident | 37 Ų | 37 | 56.3 Ų | 56.3 | 16% | 0.162 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 114.4 | -173 | -167.2 | -89.7 | 0 | 0 | 0 | 111.5 | I68 Q70 Y211 P226 R230 | I68-F228 HydrophobicContact CB-CD2 3.72Å; I68-F228 HydrophobicContact CB-CE2 4.12Å; I68-F228 HydrophobicContact CD1-CD2 4.39Å; I68-F228 HydrophobicContact CG2-CD2 3.6Å; I68-F228 HydrophobicContact CG2-CE2 3.45Å; I68-F228 VanDerWaalsContact CG2-CE2 3.45Å; Q70-F228 HydrophobicContact CB-CZ 4.4Å; Y211-F228 HydrophobicContact CD1-CE2 4.27Å; Y211-F228 HydrophobicContact CD1-CZ 4.33Å; Y211-F228 HydrophobicContact CD2-CE2 4.18Å; Y211-F228 AromaticContact CE1-CE2 3.89Å; Y211-F228 HydrophobicContact CE1-CE2 3.89Å; Y211-F228 HydrophobicContact CE1-CZ 4.36Å; Y211-F228 AromaticContact CE2-CE2 3.84Å; Y211-F228 HydrophobicContact CE2-CE2 3.84Å; Y211-F228 HydrophobicContact CG-CE2 4.38Å; Y211-F228 HydrophobicContact CG-CZ 4.4Å; Y211-F228 AromaticContact CZ-CE2 3.67Å; P226-F228 PolarHBondContact O-N 2.94Å; F228-R230 HydrophobicContact CD1-CB 4.09Å; F228-R230 HydrophobicContact CE1-CB 3.49Å; F228-R230 VanDerWaalsContact CE1-CB 3.49Å; F228-R230 HydrophobicContact CE1-CG 4.25Å; F228-R230 VanDerWaalsContact CE1-CZ 3.4Å; F228-R230 HydrophobicContact CZ-CB 4.35Å |
| 229 | V | 87.6 | Confident | 78.9 | Confident | 10 Ų | 10 | 58.6 Ų | 58.6 | 6% | 0.061 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 107.8 | -176.7 | -167.3 | 0 | 0 | 0 | 0 | 110.2 | I53 K56 A57 L60 I68 V69 Q70 T227 | I53-V229 HydrophobicContact CD1-CG1 3.91Å; K56-V229 HydrophobicContact CB-CG1 4.28Å; A57-V229 HydrophobicContact CB-CG1 4.17Å; L60-V229 HydrophobicContact CD1-CG2 3.92Å; I68-V229 PolarHBondContact O-N 3.19Å; V69-V229 WeakPolarHBondContact CA-O 3.3Å; Q70-V229 PolarHBondContact N-O 2.88Å; T227-V229 HydrophobicContact CG2-CG2 4.49Å |
| 230 | R | 84.1 | Confident | 78.4 | Confident | 74 Ų | 74 | 59.9 Ų | 59.9 | 28% | 0.279 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 136.8 | -178.4 | 175.3 | -166.1 | -80.8 | 158.4 | -6.9 | 110.9 | Q70 F228 | Q70-R230 HydrophobicContact CB-CB 4.38Å; Q70-R230 HydrophobicContact CB-CG 4.38Å; Q70-R230 WeakPolarHBondContact O-CA 3.44Å; Q70-R230 VanDerWaalsContact OE1-CZ 3.27Å; F228-R230 HydrophobicContact CD1-CB 4.09Å; F228-R230 HydrophobicContact CE1-CB 3.49Å; F228-R230 VanDerWaalsContact CE1-CB 3.49Å; F228-R230 HydrophobicContact CE1-CG 4.25Å; F228-R230 VanDerWaalsContact CE1-CZ 3.4Å; F228-R230 HydrophobicContact CZ-CB 4.35Å |
| 231 | L | 71.3 | Confident | 78.4 | Confident | 29 Ų | 29 | 56 Ų | 56 | 15% | 0.152 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -94.2 | 130.6 | 169.6 | -61.9 | 175.2 | 0 | 0 | 0 | 110.3 | P52 I53 | P52-L231 HydrophobicContact CB-CD1 3.95Å; P52-L231 HydrophobicContact CB-CD2 4.07Å; I53-L231 HydrophobicContact CB-CD1 3.89Å; I53-L231 HydrophobicContact CB-CG 4.47Å; I53-L231 HydrophobicContact CD1-CD1 4.43Å; I53-L231 HydrophobicContact CD1-CG 4.13Å |
| 232 | N | 66.7 | Low | 78.5 | Confident | 49 Ų | 49 | 50.3 Ų | 50.3 | 26% | 0.262 | 28% | 0.275 | S | S | . | . | trans | 51.4 | 70.8 | 170.3 | -52.4 | -46.6 | 0 | 0 | 0 | 114.8 | S234 D235 | N232-S234 PolarHBondContact O-N 3.48Å; N232-D235 HydrophobicContact CB-CB 4.32Å; N232-D235 PolarHBondContact O-N 2.82Å | ||
| 233 | P | 61.3 | Low | 78.7 | Confident | 73 Ų | 73 | 50.5 Ų | 50.5 | 47% | 0.474 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -23.8 | -176.6 | 21.3 | -32.9 | 0 | 0 | 0 | 115.9 | ||
| 234 | S | 62.1 | Low | 78.8 | Confident | 123 Ų | 123 | 51.2 Ų | 51.2 | 86% | 0.86 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -11.8 | 179.1 | 48.8 | 0 | 0 | 0 | 0 | 114.8 | N232 | N232-S234 PolarHBondContact O-N 3.48Š|
| 235 | D | 67.2 | Low | 79.5 | Confident | 45 Ų | 45 | 49 Ų | 49 | 24% | 0.241 | 26% | 0.264 | C | S | . | . | trans | -123.4 | 93.7 | -175.4 | 165.1 | 35.4 | 0 | 0 | 0 | 111.3 | K72 N232 G237 K239 | K72-D235 WeakPolarHBondContact CE-O 3.4Å; K72-D235 VanDerWaalsContact NZ-CG 3.31Å; K72-D235 PolarHBondContact NZ-O 3.14Å; K72-D235 IonicContact NZ-OD1 3.46Å; K72-D235 PolarHBondContact NZ-OD1 3.05Å; K72-D235 IonicContact NZ-OD2 2.88Å; K72-D235 PolarHBondContact NZ-OD2 3.29Å; N232-D235 HydrophobicContact CB-CB 4.32Å; N232-D235 PolarHBondContact O-N 2.82Å; D235-G237 VanDerWaalsContact C-N 3.32Å; D235-G237 PolarHBondContact OD1-N 3.14Å; D235-K239 WeakPolarHBondContact OD2-CE 3.09Å; D235-K239 IonicContact OD2-NZ 3.07Å; D235-K239 PolarHBondContact OD2-NZ 3.22Å; D235-K239 VanDerWaalsContact OD2-NZ 3.14Å | ||
| 236 | M | 65.8 | Low | 80 | Confident | 52 Ų | 52 | 44.3 Ų | 44.3 | 26% | 0.256 | 24% | 0.24 | S | C | . | . | trans | -80.9 | -8.7 | 172.6 | -68.3 | -65.6 | -71.4 | 0 | 0 | 113.3 | W355 M359 | M236-W355 HydrophobicContact CE-CH2 3.97Å; M236-W355 HydrophobicContact CE-CZ3 3.78Å; M236-M359 WeakPolarHBondContact O-CE 3.47Å | ||
| 237 | G | 69 | Low | 80.2 | Confident | 16 Ų | 16 | 45.5 Ų | 45.5 | 17% | 0.165 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -68.8 | 138 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | K72 D235 K239 | K72-G237 VanDerWaalsContact CE-O 3.29Å; K72-G237 WeakPolarHBondContact CE-O 3.25Å; K72-G237 PolarHBondContact NZ-O 2.92Å; D235-G237 VanDerWaalsContact C-N 3.32Å; D235-G237 PolarHBondContact OD1-N 3.14Å; G237-K239 PolarHBondContact O-N 2.83Å |
| 238 | L | 75.9 | Confident | 80.4 | Confident | 21 Ų | 21 | 44.6 Ų | 44.6 | 11% | 0.11 | 24% | 0.238 | C | C | . | . | trans | -77 | 106 | 175.1 | -62.2 | -175.3 | 0 | 0 | 0 | 110.4 | K72 L241 M359 I362 G363 | K72-L238 HydrophobicContact CB-CD2 3.85Å; K72-L238 HydrophobicContact CD-CD2 4.19Å; K72-L238 HydrophobicContact CG-CD2 4.07Å; L238-L241 HydrophobicContact CB-CB 3.98Å; L238-L241 HydrophobicContact CB-CD2 4.09Å; L238-L241 HydrophobicContact CD1-CD2 3.73Å; L238-L241 PolarHBondContact O-N 2.93Å; L238-M359 HydrophobicContact CD1-CE 4.45Å; L238-M359 HydrophobicContact CD2-CE 3.98Å; L238-M359 HydrophobicContact CG-CE 3.86Å; L238-I362 HydrophobicContact CD1-CD1 3.85Å; L238-I362 HydrophobicContact CD1-CG1 3.77Å; L238-I362 HydrophobicContact CG-CD1 4.46Å; L238-G363 VanDerWaalsContact CD1-CA 3.43Å | ||
| 239 | K | 77.9 | Confident | 80.4 | Confident | 60 Ų | 60 | 49 Ų | 49 | 26% | 0.261 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 147.2 | 176.7 | -66.9 | -177.9 | 176.7 | 169.8 | 0 | 110.1 | T18 E19 D20 D235 G237 L241 | T18-K239 HydrophobicContact CG2-CB 3.93Å; E19-K239 HydrophobicContact CG-CD 4.19Å; E19-K239 WeakPolarHBondContact OE1-CE 3.43Å; E19-K239 IonicContact OE1-NZ 2.79Å; E19-K239 PolarHBondContact OE1-NZ 2.73Å; D20-K239 HydrophobicContact CB-CD 4.35Å; D235-K239 WeakPolarHBondContact OD2-CE 3.09Å; D235-K239 IonicContact OD2-NZ 3.07Å; D235-K239 PolarHBondContact OD2-NZ 3.22Å; D235-K239 VanDerWaalsContact OD2-NZ 3.14Å; G237-K239 PolarHBondContact O-N 2.83Å; K239-L241 PolarHBondContact O-N 3.36Å; K239-L241 VanDerWaalsContact O-N 3.15Å |
| 240 | G | 79.8 | Confident | 80.2 | Confident | 27 Ų | 27 | 52.4 Ų | 52.4 | 28% | 0.278 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | -14.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q371 G372 | G240-Q371 WeakPolarHBondContact O-CA 3.5Å; G240-G372 PolarHBondContact O-N 2.81Å; G240-G372 VanDerWaalsContact O-N 3.07Å |
| 241 | L | 87.3 | Confident | 80.4 | Confident | 13 Ų | 13 | 52.4 Ų | 52.4 | 7% | 0.068 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 110 | -179.2 | -168.6 | 77 | 0 | 0 | 0 | 111.8 | L238 K239 Q243 I362 A365 G372 A374 | L238-L241 HydrophobicContact CB-CB 3.98Å; L238-L241 HydrophobicContact CB-CD2 4.09Å; L238-L241 HydrophobicContact CD1-CD2 3.73Å; L238-L241 PolarHBondContact O-N 2.93Å; K239-L241 PolarHBondContact O-N 3.36Å; K239-L241 VanDerWaalsContact O-N 3.15Å; L241-Q243 HydrophobicContact CD2-CG 4.32Å; L241-Q243 HydrophobicContact CG-CG 4.43Å; L241-I362 HydrophobicContact CD2-CB 3.89Å; L241-I362 HydrophobicContact CD2-CD1 3.97Å; L241-I362 HydrophobicContact CD2-CG1 4.21Å; L241-I362 WeakPolarHBondContact CD2-O 3.16Å; L241-A365 HydrophobicContact CD1-CB 3.71Å; L241-G372 WeakPolarHBondContact CA-O 3.37Å; L241-A374 HydrophobicContact CD1-CB 4.5Å; L241-A374 HydrophobicContact CD2-CB 4.08Å; L241-A374 HydrophobicContact CG-CB 4.34Å |
| 242 | K | 88.6 | Confident | 81 | Confident | 60 Ų | 60 | 56.6 Ų | 56.6 | 26% | 0.261 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 126.1 | 175.4 | -59.9 | 172.7 | -169 | 169 | 0 | 109.3 | Y244 G372 M373 A374 L409 | K242-Y244 HydrophobicContact CB-CE2 3.83Å; K242-G372 PolarHBondContact N-O 3.39Å; K242-M373 HydrophobicContact CB-CG 4.3Å; K242-M373 CarbonylContact O-C 3.55Å; K242-M373 WeakPolarHBondContact O-CA 3.17Å; K242-M373 WeakPolarHBondContact O-CG 3.05Å; K242-A374 PolarHBondContact O-N 2.88Å; K242-L409 HydrophobicContact CD-CD1 3.89Å; K242-L409 HydrophobicContact CD-CG 4.09Å; K242-L409 PolarHBondContact NZ-O 3.37Å |
| 243 | Q | 90.9 | Very high | 82.1 | Confident | 22 Ų | 22 | 57.9 Ų | 57.9 | 10% | 0.103 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 119.3 | -172.1 | -66 | -180 | 55.9 | 0 | 0 | 111.8 | L241 Y358 I362 A374 L398 S399 | L241-Q243 HydrophobicContact CD2-CG 4.32Å; L241-Q243 HydrophobicContact CG-CG 4.43Å; Q243-Y358 PolarHBondContact OE1-OH 3.35Å; Q243-I362 HydrophobicContact CG-CD1 4.33Å; Q243-I362 VanDerWaalsContact OE1-CD1 3.26Å; Q243-A374 HydrophobicContact CG-CB 4.44Å; Q243-L398 HydrophobicContact CB-CD2 4.11Å; Q243-S399 PolarHBondContact O-N 2.77Å; Q243-S399 PolarHBondContact O-OG 3.09Å |
| 244 | Y | 92.4 | Very high | 83.2 | Confident | 30 Ų | 30 | 59.1 Ų | 59.1 | 12% | 0.118 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 150.2 | -179.7 | -60.5 | -80.4 | 0 | 0 | 0 | 111.9 | K242 M373 A374 V375 T376 S399 L401 L409 | K242-Y244 HydrophobicContact CB-CE2 3.83Å; Y244-M373 HydrophobicContact CD2-CG 3.69Å; Y244-M373 HydrophobicContact CD2-SD 3.63Å; Y244-M373 HydrophobicContact CE2-CG 3.83Å; Y244-M373 HydrophobicContact CE2-SD 3.65Å; Y244-A374 PolarHBondContact N-O 3.12Å; Y244-V375 CarbonylContact O-C 3.54Å; Y244-V375 WeakPolarHBondContact O-CA 3.31Å; Y244-T376 PolarHBondContact O-N 3.37Å; Y244-S399 CarbonylContact C-O 3.56Å; Y244-S399 VanDerWaalsContact CA-O 3.23Å; Y244-S399 WeakPolarHBondContact CA-O 3.17Å; Y244-S399 WeakPolarHBondContact CD1-OG 3.27Å; Y244-S399 WeakPolarHBondContact CE1-OG 3.43Å; Y244-L401 HydrophobicContact CD1-CD1 4.45Å; Y244-L401 HydrophobicContact CD2-CD1 4.35Å; Y244-L401 HydrophobicContact CG-CD1 3.97Å; Y244-L409 HydrophobicContact CE2-CD2 4.21Å |
| 245 | Y | 93.9 | Very high | 84.5 | Confident | 53 Ų | 53 | 58 Ų | 58 | 21% | 0.208 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 147.6 | 162.6 | 73.6 | -80.8 | 0 | 0 | 0 | 110.8 | T376 L398 S399 A400 L401 | Y245-T376 CarbonylContact C-O 3.59Å; Y245-T376 VanDerWaalsContact CA-O 3.25Å; Y245-T376 WeakPolarHBondContact CA-O 3.37Å; Y245-L398 HydrophobicContact CD1-CB 4.02Å; Y245-L398 HydrophobicContact CE1-CB 4.36Å; Y245-S399 WeakPolarHBondContact CD1-O 3.19Å; Y245-S399 PolarHBondContact N-O 3.49Å; Y245-A400 HydrophobicContact CE1-CB 4.19Å; Y245-A400 CarbonylContact O-C 3.49Å; Y245-A400 WeakPolarHBondContact O-CA 3.19Å; Y245-L401 PolarHBondContact O-N 3.07Å |
| 246 | K | 93.3 | Very high | 85.6 | Confident | 68 Ų | 68 | 59.4 Ų | 59.4 | 30% | 0.296 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 109.4 | 174.2 | 173 | 55.2 | 176.4 | 157.8 | 0 | 107.9 | L248 T376 Y377 C378 L401 | K246-L248 HydrophobicContact CD-CD2 4.32Å; K246-L248 HydrophobicContact CG-CD2 3.84Å; K246-L248 HydrophobicContact CG-CG 4.39Å; K246-T376 PolarHBondContact N-O 3.47Å; K246-Y377 HydrophobicContact CB-CD1 3.78Å; K246-Y377 HydrophobicContact CB-CE1 4.01Å; K246-Y377 HydrophobicContact CG-CD1 4.32Å; K246-Y377 HydrophobicContact CG-CE1 4.38Å; K246-C378 PolarHBondContact O-N 3.36Å; K246-C378 VanDerWaalsContact O-N 3.14Å; K246-L401 HydrophobicContact CB-CB 4.15Å; K246-L401 HydrophobicContact CB-CD2 4.1Å; K246-L401 HydrophobicContact CG-CD2 4.37Å |
| 247 | L | 92.8 | Very high | 86.8 | Confident | 65 Ų | 65 | 57.7 Ų | 57.7 | 34% | 0.34 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 132.8 | 170.9 | -167 | 65.7 | 0 | 0 | 0 | 109.8 | C378 H380 E384 | L247-C378 CarbonylContact C-O 3.5Å; L247-C378 WeakPolarHBondContact CA-O 3.38Å; L247-H380 HydrophobicContact CD1-CB 4.25Å; L247-E384 HydrophobicContact CD1-CB 4.02Å; L247-E384 VanDerWaalsContact CD1-CD 3.49Å; L247-E384 HydrophobicContact CD1-CG 4Å |
| 248 | L | 91.4 | Very high | 87.9 | Confident | 9 Ų | 9 | 57.4 Ų | 57.4 | 5% | 0.047 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 160.6 | -179.2 | -63.2 | -176.5 | 0 | 0 | 0 | 110.7 | K246 E260 K261 H264 Y377 C378 H380 | K246-L248 HydrophobicContact CD-CD2 4.32Å; K246-L248 HydrophobicContact CG-CD2 3.84Å; K246-L248 HydrophobicContact CG-CG 4.39Å; L248-E260 WeakPolarHBondContact CB-OE1 3.28Å; L248-E260 HydrophobicContact CD2-CG 4.5Å; L248-K261 HydrophobicContact CD1-CB 4.31Å; L248-K261 HydrophobicContact CD1-CD 4.48Å; L248-K261 HydrophobicContact CD1-CG 3.37Å; L248-H264 WeakPolarHBondContact CD2-CD2 3.47Å; L248-Y377 HydrophobicContact CD1-CG 4.44Å; L248-C378 PolarHBondContact N-O 3.11Å; L248-H380 PolarHBondContact O-N 2.91Å |
| 249 | L | 88.1 | Confident | 88.7 | Confident | 131 Ų | 131 | 61.9 Ų | 61.9 | 69% | 0.686 | 33% | 0.326 | S | S | * | . | trans | -72.2 | 139.2 | 177.5 | -66.5 | 177.4 | 0 | 0 | 0 | 109.9 | E260 | L249-E260 PolarHBondContact N-OE1 3.43Š| ||
| 250 | S | 84.6 | Confident | 89.4 | Confident | 81 Ų | 81 | 61.4 Ų | 61.4 | 57% | 0.566 | 33% | 0.325 | S | S | * | . | trans | -85 | 126.9 | 173.4 | -168.4 | 0 | 0 | 0 | 0 | 109 | H380 | S250-H380 WeakPolarHBondContact CB-O 3.41Š| ||
| 251 | H | 87.3 | Confident | 90.1 | Very high | 73 Ų | 73 | 60.1 Ų | 60.1 | 34% | 0.338 | 31% | 0.312 | S | S | . | . | trans | -124.3 | 134.8 | -179.5 | -166.4 | -95.5 | 0 | 0 | 0 | 110.9 | L253 Q256 V257 | H251-L253 PolarHBondContact ND1-N 3.47Å; H251-L253 PolarHBondContact O-N 2.74Å; H251-Q256 PolarHBondContact CE1-OE1 2.99Å; H251-Q256 PolarHBondContact ND1-OE1 2.74Å; H251-V257 HydrophobicContact CB-CG2 3.83Å; H251-V257 WeakPolarHBondContact O-CG2 3.17Å | ||
| 252 | P | 84.6 | Confident | 90.5 | Very high | 117 Ų | 117 | 60 Ų | 60 | 76% | 0.76 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -63.9 | -7.9 | -175.8 | 24.9 | -36.8 | 0 | 0 | 0 | 115.2 | ||
| 253 | L | 89.1 | Confident | 90.7 | Very high | 77 Ų | 77 | 61.9 Ų | 61.9 | 40% | 0.403 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -109 | 107.4 | 175.2 | -61.4 | 177.8 | 0 | 0 | 0 | 110.2 | H251 H255 Q256 V257 | H251-L253 PolarHBondContact ND1-N 3.47Å; H251-L253 PolarHBondContact O-N 2.74Å; L253-H255 PolarHBondContact O-N 3.07Å; L253-Q256 HydrophobicContact CB-CG 4.2Å; L253-Q256 PolarHBondContact O-N 3.36Å; L253-V257 PolarHBondContact O-N 3.28Å |
| 254 | P | 86.1 | Confident | 90.8 | Very high | 98 Ų | 98 | 63 Ų | 63 | 64% | 0.636 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -61.2 | -17.2 | -174.1 | -28 | 35.9 | 0 | 0 | 0 | 116.3 | F258 | P254-F258 PolarHBondContact O-N 2.81Å |
| 255 | H | 88.3 | Confident | 90.9 | Very high | 101 Ų | 101 | 61.5 Ų | 61.5 | 47% | 0.468 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -73.8 | -36.5 | 173.3 | 64.7 | -97.9 | 0 | 0 | 0 | 112 | L253 F258 E259 | L253-H255 PolarHBondContact O-N 3.07Å; H255-F258 WeakPolarHBondContact O-CA 3.28Å; H255-F258 VanDerWaalsContact O-CB 3.31Å; H255-F258 WeakPolarHBondContact O-CB 3.44Å; H255-F258 PolarHBondContact O-N 3.07Å; H255-F258 VanDerWaalsContact O-N 3.1Å; H255-E259 WeakPolarHBondContact O-CG 3.46Å; H255-E259 PolarHBondContact O-N 3Å |
| 256 | Q | 91.1 | Very high | 90.9 | Very high | 74 Ų | 74 | 60.8 Ų | 60.8 | 35% | 0.346 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -71.1 | -36.2 | 177.4 | -56.9 | -168.4 | -1.5 | 0 | 0 | 110.8 | H251 L253 F258 E259 E260 | H251-Q256 PolarHBondContact CE1-OE1 2.99Å; H251-Q256 PolarHBondContact ND1-OE1 2.74Å; L253-Q256 HydrophobicContact CB-CG 4.2Å; L253-Q256 PolarHBondContact O-N 3.36Å; Q256-F258 VanDerWaalsContact C-N 3.26Å; Q256-F258 PolarHBondContact O-N 3.16Å; Q256-E259 PolarHBondContact O-N 3.09Å; Q256-E259 VanDerWaalsContact O-N 3.16Å; Q256-E260 WeakPolarHBondContact O-CB 3.25Å; Q256-E260 PolarHBondContact O-N 3.3Å |
| 257 | V | 90.9 | Very high | 90.8 | Very high | 16 Ų | 16 | 60.3 Ų | 60.3 | 10% | 0.097 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.2 | -35.5 | 168.6 | 178.5 | 0 | 0 | 0 | 0 | 111.9 | H251 L253 K261 C379 | H251-V257 HydrophobicContact CB-CG2 3.83Å; H251-V257 WeakPolarHBondContact O-CG2 3.17Å; L253-V257 PolarHBondContact O-N 3.28Å; V257-K261 HydrophobicContact CG1-CD 4.23Å; V257-K261 WeakPolarHBondContact O-CB 3.19Å; V257-K261 VanDerWaalsContact O-CG 3.24Å; V257-K261 WeakPolarHBondContact O-CG 3.06Å; V257-K261 PolarHBondContact O-N 3.17Å; V257-K261 VanDerWaalsContact O-N 3.14Å; V257-C379 WeakPolarHBondContact CG1-SG 3.3Å |
| 258 | F | 92.4 | Very high | 90.8 | Very high | 10 Ų | 10 | 57.5 Ų | 57.5 | 4% | 0.044 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.2 | -45.6 | 172.2 | -177.7 | -109.6 | 0 | 0 | 0 | 111.5 | P254 H255 Q256 E260 K261 V262 R286 H289 L290 I293 L349 | P254-F258 PolarHBondContact O-N 2.81Å; H255-F258 WeakPolarHBondContact O-CA 3.28Å; H255-F258 VanDerWaalsContact O-CB 3.31Å; H255-F258 WeakPolarHBondContact O-CB 3.44Å; H255-F258 PolarHBondContact O-N 3.07Å; H255-F258 VanDerWaalsContact O-N 3.1Å; Q256-F258 VanDerWaalsContact C-N 3.26Å; Q256-F258 PolarHBondContact O-N 3.16Å; F258-E260 PolarHBondContact O-N 3.37Å; F258-K261 PolarHBondContact O-N 3.09Å; F258-V262 HydrophobicContact CD1-CG2 4.17Å; F258-V262 HydrophobicContact CD2-CG2 4.11Å; F258-V262 HydrophobicContact CE1-CG2 3.83Å; F258-V262 HydrophobicContact CE2-CG2 3.78Å; F258-V262 HydrophobicContact CG-CG2 4.32Å; F258-V262 HydrophobicContact CZ-CG2 3.64Å; F258-V262 WeakPolarHBondContact O-CB 3.5Å; F258-V262 VanDerWaalsContact O-CG2 3.28Å; F258-V262 WeakPolarHBondContact O-CG2 3.24Å; F258-V262 PolarHBondContact O-N 3.28Å; F258-R286 HydrophobicContact CD2-CB 4.15Å; F258-R286 HydrophobicContact CD2-CG 4.08Å; F258-R286 VanDerWaalsContact CD2-NE 3.27Å; F258-R286 HydrophobicContact CE2-CB 3.68Å; F258-R286 HydrophobicContact CE2-CG 4.09Å; F258-R286 HydrophobicContact CZ-CB 4.21Å; F258-H289 AromaticContact CE1-ND1 3.44Å; F258-H289 WeakPolarHBondContact CE1-ND1 3.38Å; F258-L290 HydrophobicContact CZ-CB 4.18Å; F258-I293 HydrophobicContact CE1-CD1 4.21Å; F258-L349 HydrophobicContact CD2-CD2 4.1Å; F258-L349 HydrophobicContact CE2-CD2 3.74Å |
| 259 | E | 92.3 | Very high | 90.8 | Very high | 114 Ų | 114 | 58 Ų | 58 | 53% | 0.533 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63 | -41.5 | -179.7 | -71.4 | 160.6 | -175.7 | 0 | 0 | 112.1 | H255 Q256 V262 Q263 | H255-E259 WeakPolarHBondContact O-CG 3.46Å; H255-E259 PolarHBondContact O-N 3Å; Q256-E259 PolarHBondContact O-N 3.09Å; Q256-E259 VanDerWaalsContact O-N 3.16Å; E259-V262 PolarHBondContact O-N 3.04Å; E259-Q263 WeakPolarHBondContact O-CB 3.42Å; E259-Q263 PolarHBondContact O-N 3.4Å |
| 260 | E | 93 | Very high | 90.8 | Very high | 51 Ų | 51 | 56.2 Ų | 56.2 | 24% | 0.238 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.2 | -47.1 | 172.3 | -174.5 | 176.4 | 150.6 | 0 | 0 | 111.7 | L248 L249 Q256 F258 V262 Q263 H264 | L248-E260 WeakPolarHBondContact CB-OE1 3.28Å; L248-E260 HydrophobicContact CD2-CG 4.5Å; L249-E260 PolarHBondContact N-OE1 3.43Å; Q256-E260 WeakPolarHBondContact O-CB 3.25Å; Q256-E260 PolarHBondContact O-N 3.3Å; F258-E260 PolarHBondContact O-N 3.37Å; E260-V262 VanDerWaalsContact C-N 3.32Å; E260-V262 PolarHBondContact O-N 3.16Å; E260-Q263 PolarHBondContact O-N 2.77Å; E260-H264 PolarHBondContact O-CD2 3.4Å; E260-H264 PolarHBondContact O-N 2.82Å |
| 261 | K | 94.4 | Very high | 91 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.6 | -38.9 | 174.5 | -78.6 | 177 | 172.4 | -152.9 | 0 | 112.4 | L248 V257 F258 L265 L349 D350 Y377 C379 E383 | L248-K261 HydrophobicContact CD1-CB 4.31Å; L248-K261 HydrophobicContact CD1-CD 4.48Å; L248-K261 HydrophobicContact CD1-CG 3.37Å; V257-K261 HydrophobicContact CG1-CD 4.23Å; V257-K261 WeakPolarHBondContact O-CB 3.19Å; V257-K261 VanDerWaalsContact O-CG 3.24Å; V257-K261 WeakPolarHBondContact O-CG 3.06Å; V257-K261 PolarHBondContact O-N 3.17Å; V257-K261 VanDerWaalsContact O-N 3.14Å; F258-K261 PolarHBondContact O-N 3.09Å; K261-L265 WeakPolarHBondContact O-CB 3.37Å; K261-L265 PolarHBondContact O-N 2.83Å; K261-L349 HydrophobicContact CB-CD1 4.03Å; K261-L349 HydrophobicContact CB-CG 4.26Å; K261-L349 VanDerWaalsContact CD-O 3.3Å; K261-L349 WeakPolarHBondContact CD-O 3.45Å; K261-L349 WeakPolarHBondContact CE-O 3.4Å; K261-L349 PolarHBondContact NZ-O 3.4Å; K261-D350 IonicContact NZ-OD1 2.71Å; K261-Y377 HydrophobicContact CB-CD2 4.21Å; K261-Y377 HydrophobicContact CG-CD2 4.25Å; K261-Y377 PolarHBondContact NZ-O 2.91Å; K261-Y377 VanDerWaalsContact O-CE2 3.29Å; K261-Y377 WeakPolarHBondContact O-CE2 3.33Å; K261-C379 VanDerWaalsContact CE-SG 3.57Å; K261-E383 WeakPolarHBondContact CE-OE2 3.31Å; K261-E383 IonicContact NZ-OE1 2.9Å; K261-E383 PolarHBondContact NZ-OE1 3.31Å; K261-E383 IonicContact NZ-OE2 2.77Å; K261-E383 PolarHBondContact NZ-OE2 3Å |
| 262 | V | 94.7 | Very high | 90.9 | Very high | 10 Ų | 10 | 55.2 Ų | 55.2 | 6% | 0.061 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -76.7 | -34.6 | 179.1 | 173.4 | 0 | 0 | 0 | 0 | 112.2 | F258 E259 E260 L265 L266 L290 I293 | F258-V262 HydrophobicContact CD1-CG2 4.17Å; F258-V262 HydrophobicContact CD2-CG2 4.11Å; F258-V262 HydrophobicContact CE1-CG2 3.83Å; F258-V262 HydrophobicContact CE2-CG2 3.78Å; F258-V262 HydrophobicContact CG-CG2 4.32Å; F258-V262 HydrophobicContact CZ-CG2 3.64Å; F258-V262 WeakPolarHBondContact O-CB 3.5Å; F258-V262 VanDerWaalsContact O-CG2 3.28Å; F258-V262 WeakPolarHBondContact O-CG2 3.24Å; F258-V262 PolarHBondContact O-N 3.28Å; E259-V262 PolarHBondContact O-N 3.04Å; E260-V262 VanDerWaalsContact C-N 3.32Å; E260-V262 PolarHBondContact O-N 3.16Å; V262-L265 WeakPolarHBondContact O-CB 3.46Å; V262-L265 PolarHBondContact O-N 3.42Å; V262-L266 HydrophobicContact CG1-CD1 4.49Å; V262-L266 WeakPolarHBondContact O-CG 3.47Å; V262-L266 PolarHBondContact O-N 3.43Å; V262-L290 HydrophobicContact CG1-CD1 4.06Å; V262-L290 HydrophobicContact CG2-CD1 3.95Å; V262-I293 HydrophobicContact CG1-CD1 4.41Å; V262-I293 HydrophobicContact CG1-CG2 4.03Å |
| 263 | Q | 93.8 | Very high | 90.9 | Very high | 99 Ų | 99 | 53.1 Ų | 53.1 | 46% | 0.463 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.5 | -47.6 | 173.1 | 174.8 | 54 | 34.1 | 0 | 0 | 111 | E259 E260 L265 L266 E267 | E259-Q263 WeakPolarHBondContact O-CB 3.42Å; E259-Q263 PolarHBondContact O-N 3.4Å; E260-Q263 PolarHBondContact O-N 2.77Å; Q263-L265 VanDerWaalsContact C-N 3.31Å; Q263-L265 PolarHBondContact O-N 3.35Å; Q263-L266 PolarHBondContact O-N 3.08Å; Q263-E267 PolarHBondContact NE2-OE1 2.78Å; Q263-E267 WeakPolarHBondContact O-CG 3.18Å; Q263-E267 PolarHBondContact O-N 3.47Å |
| 264 | H | 93.3 | Very high | 90.9 | Very high | 45 Ų | 45 | 49.7 Ų | 49.7 | 21% | 0.208 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69 | -26.5 | 175.8 | -71.2 | -50.8 | 0 | 0 | 0 | 113.8 | L248 E260 E267 L268 Y377 | L248-H264 WeakPolarHBondContact CD2-CD2 3.47Å; E260-H264 PolarHBondContact O-CD2 3.4Å; E260-H264 PolarHBondContact O-N 2.82Å; H264-E267 IonicContact CE1-OE2 2.82Å; H264-E267 IonicContact CG-OE2 3.14Å; H264-E267 IonicContact ND1-OE1 3.53Å; H264-E267 IonicContact ND1-OE2 3.97Å; H264-E267 PolarHBondContact ND1-OE2 2.76Å; H264-E267 PolarHBondContact O-N 3.48Å; H264-L268 WeakPolarHBondContact O-CB 3.41Å; H264-L268 PolarHBondContact O-N 3.45Å; H264-Y377 HydrophobicContact CB-CE2 4.47Å; H264-Y377 PolarHBondContact O-OH 2.82Å |
| 265 | L | 94.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.6 | -45.4 | 169.9 | 178.1 | 60.7 | 0 | 0 | 0 | 111.9 | K261 V262 Q263 E267 L268 F269 V279 L290 I347 L349 Y377 | K261-L265 WeakPolarHBondContact O-CB 3.37Å; K261-L265 PolarHBondContact O-N 2.83Å; V262-L265 WeakPolarHBondContact O-CB 3.46Å; V262-L265 PolarHBondContact O-N 3.42Å; Q263-L265 VanDerWaalsContact C-N 3.31Å; Q263-L265 PolarHBondContact O-N 3.35Å; L265-E267 VanDerWaalsContact C-N 3.35Å; L265-L268 PolarHBondContact O-N 3.11Å; L265-F269 HydrophobicContact CD1-CD1 4.46Å; L265-F269 HydrophobicContact CD1-CD2 4.07Å; L265-F269 HydrophobicContact CD1-CE1 4.01Å; L265-F269 HydrophobicContact CD1-CE2 3.57Å; L265-F269 HydrophobicContact CD1-CZ 3.55Å; L265-F269 HydrophobicContact CD2-CE2 4.17Å; L265-F269 HydrophobicContact CG-CD2 4.05Å; L265-F269 HydrophobicContact CG-CE2 3.7Å; L265-F269 HydrophobicContact CG-CZ 4.2Å; L265-F269 WeakPolarHBondContact O-CG 3.42Å; L265-F269 PolarHBondContact O-N 2.79Å; L265-V279 HydrophobicContact CD1-CG2 4.49Å; L265-V279 HydrophobicContact CD2-CG1 4.39Å; L265-L290 HydrophobicContact CD2-CD1 3.74Å; L265-L290 HydrophobicContact CD2-CD2 3.77Å; L265-L290 HydrophobicContact CD2-CG 4.33Å; L265-I347 HydrophobicContact CD1-CD1 3.32Å; L265-I347 HydrophobicContact CD1-CG2 4.22Å; L265-L349 HydrophobicContact CD2-CD1 4.14Å; L265-Y377 WeakPolarHBondContact CA-OH 3.48Å; L265-Y377 HydrophobicContact CB-CE2 4.1Å; L265-Y377 PolarHBondContact N-OH 2.79Å |
| 266 | L | 93.2 | Very high | 91.3 | Very high | 38 Ų | 38 | 41.5 Ų | 41.5 | 20% | 0.199 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.3 | -39.9 | 175.9 | -70.3 | 170.2 | 0 | 0 | 0 | 111.4 | V262 Q263 F269 S270 L294 K297 L299 | V262-L266 HydrophobicContact CG1-CD1 4.49Å; V262-L266 WeakPolarHBondContact O-CG 3.47Å; V262-L266 PolarHBondContact O-N 3.43Å; Q263-L266 PolarHBondContact O-N 3.08Å; L266-F269 PolarHBondContact O-N 3.11Å; L266-S270 WeakPolarHBondContact O-CB 3.45Å; L266-S270 PolarHBondContact O-N 3.22Å; L266-S270 PolarHBondContact O-OG 3.46Å; L266-L294 HydrophobicContact CD2-CD2 3.69Å; L266-K297 HydrophobicContact CD1-CG 4.45Å; L266-K297 HydrophobicContact CD2-CB 4.41Å; L266-K297 HydrophobicContact CD2-CG 4.22Å; L266-L299 HydrophobicContact CD2-CD1 4.47Å |
| 267 | E | 91.8 | Very high | 91.4 | Very high | 58 Ų | 58 | 38 Ų | 38 | 27% | 0.271 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62 | -42 | 173 | -72.4 | 168.9 | -160.7 | 0 | 0 | 112.5 | Q263 H264 L265 S270 K271 | Q263-E267 PolarHBondContact NE2-OE1 2.78Å; Q263-E267 WeakPolarHBondContact O-CG 3.18Å; Q263-E267 PolarHBondContact O-N 3.47Å; H264-E267 IonicContact CE1-OE2 2.82Å; H264-E267 IonicContact CG-OE2 3.14Å; H264-E267 IonicContact ND1-OE1 3.53Å; H264-E267 IonicContact ND1-OE2 3.97Å; H264-E267 PolarHBondContact ND1-OE2 2.76Å; H264-E267 PolarHBondContact O-N 3.48Å; L265-E267 VanDerWaalsContact C-N 3.35Å; E267-S270 WeakPolarHBondContact CA-OG 3.38Å; E267-S270 PolarHBondContact O-N 3.06Å; E267-S270 PolarHBondContact O-OG 3.29Å; E267-K271 WeakPolarHBondContact O-CB 3.41Å; E267-K271 WeakPolarHBondContact O-CD 3.28Å; E267-K271 VanDerWaalsContact O-CG 3.26Å; E267-K271 WeakPolarHBondContact O-CG 3.47Å; E267-K271 PolarHBondContact O-N 3.08Å; E267-K271 VanDerWaalsContact O-N 3.11Å |
| 268 | L | 91.3 | Very high | 91.5 | Very high | 6 Ų | 6 | 37.2 Ų | 37.2 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.5 | -47.3 | 177.6 | -168.4 | 74.8 | 0 | 0 | 0 | 111 | H264 L265 S270 K271 I272 I347 V375 L401 | H264-L268 WeakPolarHBondContact O-CB 3.41Å; H264-L268 PolarHBondContact O-N 3.45Å; L265-L268 PolarHBondContact O-N 3.11Å; L268-S270 PolarHBondContact O-N 3.22Å; L268-K271 PolarHBondContact O-N 3.34Å; L268-I272 HydrophobicContact CD1-CD1 3.45Å; L268-I272 VanDerWaalsContact CD1-CD1 3.45Å; L268-I272 HydrophobicContact CD1-CG1 4.3Å; L268-I272 HydrophobicContact CG-CD1 4.03Å; L268-I272 PolarHBondContact O-N 3.23Å; L268-I347 HydrophobicContact CD2-CD1 3.71Å; L268-I347 HydrophobicContact CD2-CG1 4.21Å; L268-V375 HydrophobicContact CD2-CB 4.2Å; L268-V375 HydrophobicContact CD2-CG1 4.36Å; L268-V375 HydrophobicContact CD2-CG2 3.99Å; L268-L401 HydrophobicContact CD1-CD1 4.23Å; L268-L401 HydrophobicContact CD1-CD2 3.93Å |
| 269 | F | 91.4 | Very high | 91.6 | Very high | 19 Ų | 19 | 36.8 Ų | 36.8 | 8% | 0.083 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.1 | -23 | 176.2 | -70.5 | -27.3 | 0 | 0 | 0 | 114 | L265 L266 F274 A277 V279 L294 L299 V327 L345 I347 | L265-F269 HydrophobicContact CD1-CD1 4.46Å; L265-F269 HydrophobicContact CD1-CD2 4.07Å; L265-F269 HydrophobicContact CD1-CE1 4.01Å; L265-F269 HydrophobicContact CD1-CE2 3.57Å; L265-F269 HydrophobicContact CD1-CZ 3.55Å; L265-F269 HydrophobicContact CD2-CE2 4.17Å; L265-F269 HydrophobicContact CG-CD2 4.05Å; L265-F269 HydrophobicContact CG-CE2 3.7Å; L265-F269 HydrophobicContact CG-CZ 4.2Å; L265-F269 WeakPolarHBondContact O-CG 3.42Å; L265-F269 PolarHBondContact O-N 2.79Å; L266-F269 PolarHBondContact O-N 3.11Å; F269-F274 HydrophobicContact CB-CE1 3.98Å; F269-F274 HydrophobicContact CD1-CD1 4.05Å; F269-F274 AromaticContact CD1-CE1 3.33Å; F269-F274 HydrophobicContact CD1-CE1 3.33Å; F269-F274 HydrophobicContact CD1-CE2 4.41Å; F269-F274 AromaticContact CD1-CZ 3.54Å; F269-F274 HydrophobicContact CD1-CZ 3.54Å; F269-F274 AromaticContact CE1-CE1 3.98Å; F269-F274 HydrophobicContact CE1-CE1 3.98Å; F269-F274 HydrophobicContact CE1-CE2 4.25Å; F269-F274 AromaticContact CE1-CZ 3.76Å; F269-F274 HydrophobicContact CE1-CZ 3.76Å; F269-F274 AromaticContact CG-CE1 3.86Å; F269-F274 HydrophobicContact CG-CE1 3.86Å; F269-F274 HydrophobicContact CG-CZ 4.04Å; F269-F274 HydrophobicContact CZ-CZ 4.43Å; F269-A277 HydrophobicContact CE1-CB 3.72Å; F269-A277 HydrophobicContact CZ-CB 4Å; F269-V279 HydrophobicContact CZ-CG2 4.04Å; F269-L294 HydrophobicContact CD2-CD2 4.24Å; F269-L294 HydrophobicContact CE2-CD1 3.93Å; F269-L294 HydrophobicContact CE2-CD2 4.05Å; F269-L299 HydrophobicContact CB-CD1 4.33Å; F269-L299 HydrophobicContact CD2-CD1 3.85Å; F269-L299 HydrophobicContact CG-CD1 4.47Å; F269-V327 HydrophobicContact CE2-CG2 4.18Å; F269-V327 HydrophobicContact CZ-CG1 4.2Å; F269-V327 HydrophobicContact CZ-CG2 4.04Å; F269-L345 HydrophobicContact CD1-CD2 4.12Å; F269-L345 HydrophobicContact CE1-CD2 3.91Å; F269-I347 HydrophobicContact CD1-CD1 4.3Å; F269-I347 HydrophobicContact CE1-CD1 3.52Å; F269-I347 HydrophobicContact CZ-CD1 3.92Å |
| 270 | S | 89.1 | Confident | 91.7 | Very high | 94 Ų | 94 | 31.3 Ų | 31.3 | 66% | 0.657 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -84.8 | -20.5 | 174 | 74.1 | 0 | 0 | 0 | 0 | 114.3 | L266 E267 L268 | L266-S270 WeakPolarHBondContact O-CB 3.45Å; L266-S270 PolarHBondContact O-N 3.22Å; L266-S270 PolarHBondContact O-OG 3.46Å; E267-S270 WeakPolarHBondContact CA-OG 3.38Å; E267-S270 PolarHBondContact O-N 3.06Å; E267-S270 PolarHBondContact O-OG 3.29Å; L268-S270 PolarHBondContact O-N 3.22Å |
| 271 | K | 87.7 | Confident | 91.7 | Very high | 121 Ų | 121 | 28.9 Ų | 28.9 | 53% | 0.526 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -100.5 | -24.1 | -175.8 | -72 | 169.6 | -177.7 | 173.9 | 0 | 113.7 | E267 L268 | E267-K271 WeakPolarHBondContact O-CB 3.41Å; E267-K271 WeakPolarHBondContact O-CD 3.28Å; E267-K271 VanDerWaalsContact O-CG 3.26Å; E267-K271 WeakPolarHBondContact O-CG 3.47Å; E267-K271 PolarHBondContact O-N 3.08Å; E267-K271 VanDerWaalsContact O-N 3.11Å; L268-K271 PolarHBondContact O-N 3.34Å |
| 272 | I | 85.1 | Confident | 91.4 | Very high | 12 Ų | 12 | 31.1 Ų | 31.1 | 6% | 0.062 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -118.9 | 127.6 | -172.1 | -58.8 | -176.4 | 0 | 0 | 0 | 110.7 | L268 M373 L405 M410 | L268-I272 HydrophobicContact CD1-CD1 3.45Å; L268-I272 VanDerWaalsContact CD1-CD1 3.45Å; L268-I272 HydrophobicContact CD1-CG1 4.3Å; L268-I272 HydrophobicContact CG-CD1 4.03Å; L268-I272 PolarHBondContact O-N 3.23Å; I272-M373 HydrophobicContact CD1-CE 3.36Å; I272-M373 HydrophobicContact CD1-SD 4.11Å; I272-M373 HydrophobicContact CG2-CE 4.38Å; I272-L405 HydrophobicContact CD1-CD1 3.73Å; I272-L405 HydrophobicContact CD1-CD2 3.98Å; I272-L405 HydrophobicContact CD1-CG 4.43Å; I272-L405 HydrophobicContact CG1-CD1 3.84Å; I272-M410 HydrophobicContact CG2-CB 4.39Å; I272-M410 HydrophobicContact CG2-CG 3.83Å |
| 273 | P | 85.9 | Confident | 91.1 | Very high | 72 Ų | 72 | 35 Ų | 35 | 47% | 0.468 | 18% | 0.184 | S | C | . | . | trans | -70.5 | 129.4 | 168.2 | 28.8 | -31.2 | 0 | 0 | 0 | 110.5 | M410 D411 | P273-M410 HydrophobicContact CG-CB 4.35Å; P273-D411 WeakPolarHBondContact CG-OD1 3.24Å | ||
| 274 | F | 89.1 | Confident | 90.8 | Very high | 6 Ų | 6 | 33.9 Ų | 33.9 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | trans | -144 | 149.3 | 176.4 | 71.2 | -85.1 | 0 | 0 | 0 | 111 | F269 A277 R326 V327 L345 | F269-F274 HydrophobicContact CB-CE1 3.98Å; F269-F274 HydrophobicContact CD1-CD1 4.05Å; F269-F274 AromaticContact CD1-CE1 3.33Å; F269-F274 HydrophobicContact CD1-CE1 3.33Å; F269-F274 HydrophobicContact CD1-CE2 4.41Å; F269-F274 AromaticContact CD1-CZ 3.54Å; F269-F274 HydrophobicContact CD1-CZ 3.54Å; F269-F274 AromaticContact CE1-CE1 3.98Å; F269-F274 HydrophobicContact CE1-CE1 3.98Å; F269-F274 HydrophobicContact CE1-CE2 4.25Å; F269-F274 AromaticContact CE1-CZ 3.76Å; F269-F274 HydrophobicContact CE1-CZ 3.76Å; F269-F274 AromaticContact CG-CE1 3.86Å; F269-F274 HydrophobicContact CG-CE1 3.86Å; F269-F274 HydrophobicContact CG-CZ 4.04Å; F269-F274 HydrophobicContact CZ-CZ 4.43Å; F274-A277 HydrophobicContact CD2-CB 3.76Å; F274-A277 HydrophobicContact CE2-CB 3.57Å; F274-A277 HydrophobicContact CZ-CB 4.37Å; F274-R326 HydrophobicContact CE2-CG 3.91Å; F274-R326 HydrophobicContact CZ-CG 4.44Å; F274-R326 PolarHBondContact O-NE 3.45Å; F274-R326 PolarHBondContact O-NH2 3.12Å; F274-V327 HydrophobicContact CE2-CG2 4.37Å; F274-V327 HydrophobicContact CZ-CG2 4.42Å; F274-L345 HydrophobicContact CB-CB 3.95Å; F274-L345 HydrophobicContact CB-CD2 3.78Å; F274-L345 HydrophobicContact CD1-CD2 3.92Å; F274-L345 HydrophobicContact CD2-CD2 4.19Å; F274-L345 HydrophobicContact CG-CB 4.42Å; F274-L345 HydrophobicContact CG-CD2 3.7Å | ||
| 275 | N | 89.1 | Confident | 90.7 | Very high | 24 Ų | 24 | 37 Ų | 37 | 13% | 0.128 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -80.8 | -68 | 179.9 | -73 | -32.3 | 0 | 0 | 0 | 109.7 | Y323 R326 K342 N344 C414 | N275-Y323 PolarHBondContact O-OH 3.09Å; N275-R326 VanDerWaalsContact O-CG 3.25Å; N275-R326 WeakPolarHBondContact O-CG 3.43Å; N275-K342 WeakPolarHBondContact CB-O 3.37Å; N275-N344 PolarHBondContact N-OD1 3.2Å; N275-C414 PolarHBondContact ND2-SG 3.15Å |
| 276 | Q | 92.4 | Very high | 90.5 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.009 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 148.7 | 167.7 | -62.6 | -177.1 | -54.4 | 0 | 0 | 111 | L320 Y323 C325 R326 K342 V343 N344 L345 | Q276-L320 HydrophobicContact CB-CD1 4.24Å; Q276-L320 HydrophobicContact CG-CD1 4.39Å; Q276-L320 PolarHBondContact NE2-O 3.31Å; Q276-L320 PolarHBondContact OE1-O 3.16Å; Q276-Y323 HydrophobicContact CG-CD2 3.74Å; Q276-Y323 HydrophobicContact CG-CE2 3.58Å; Q276-C325 PolarHBondContact NE2-O 2.88Å; Q276-R326 VanDerWaalsContact CA-O 3.28Å; Q276-R326 WeakPolarHBondContact CA-O 3.25Å; Q276-K342 HydrophobicContact CG-CB 4.24Å; Q276-K342 PolarHBondContact N-O 3.46Å; Q276-V343 HydrophobicContact CB-CG2 3.92Å; Q276-V343 WeakPolarHBondContact O-CA 3.46Å; Q276-N344 PolarHBondContact O-N 3.02Å; Q276-L345 PolarHBondContact O-N 3.08Å |
| 277 | A | 93.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 140.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | F269 F274 R326 V327 L328 L345 | F269-A277 HydrophobicContact CE1-CB 3.72Å; F269-A277 HydrophobicContact CZ-CB 4Å; F274-A277 HydrophobicContact CD2-CB 3.76Å; F274-A277 HydrophobicContact CE2-CB 3.57Å; F274-A277 HydrophobicContact CZ-CB 4.37Å; A277-R326 PolarHBondContact N-O 2.97Å; A277-V327 HydrophobicContact CB-CG1 4.39Å; A277-V327 HydrophobicContact CB-CG2 4.43Å; A277-V327 WeakPolarHBondContact O-CA 3.42Å; A277-L328 PolarHBondContact O-N 2.87Å; A277-L345 CarbonylContact C-O 3.55Å; A277-L345 VanDerWaalsContact CA-O 3.28Å; A277-L345 WeakPolarHBondContact CA-O 3.41Å; A277-L345 HydrophobicContact CB-CB 4.13Å; A277-L345 HydrophobicContact CB-CD2 4.15Å; A277-L345 HydrophobicContact CB-CG 4.11Å |
| 278 | L | 93.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 129 | 164.1 | -62 | 178.7 | 0 | 0 | 0 | 109.5 | F280 L320 L328 I338 V343 L345 V346 I347 R364 | L278-F280 HydrophobicContact CB-CE2 4.17Å; L278-F280 HydrophobicContact CB-CZ 4.08Å; L278-F280 HydrophobicContact CD1-CZ 4.25Å; L278-L320 HydrophobicContact CD2-CD2 3.91Å; L278-L328 WeakPolarHBondContact CA-O 3.5Å; L278-L328 HydrophobicContact CD2-CB 3.82Å; L278-L328 HydrophobicContact CD2-CD2 4.18Å; L278-L328 HydrophobicContact CD2-CG 4.42Å; L278-I338 HydrophobicContact CD1-CB 4.3Å; L278-I338 HydrophobicContact CD1-CD1 4.47Å; L278-I338 HydrophobicContact CD1-CG2 3.64Å; L278-I338 HydrophobicContact CD2-CD1 4.41Å; L278-I338 HydrophobicContact CD2-CG2 3.95Å; L278-I338 HydrophobicContact CG-CG2 4.46Å; L278-V343 HydrophobicContact CD1-CG1 3.93Å; L278-V343 HydrophobicContact CD1-CG2 4.26Å; L278-V343 HydrophobicContact CD2-CG2 4.19Å; L278-V343 HydrophobicContact CG-CB 4.49Å; L278-V343 HydrophobicContact CG-CG1 3.77Å; L278-V343 HydrophobicContact CG-CG2 3.9Å; L278-L345 PolarHBondContact N-O 3.47Å; L278-V346 HydrophobicContact CB-CG2 4.34Å; L278-V346 CarbonylContact O-C 3.54Å; L278-V346 WeakPolarHBondContact O-CA 3.44Å; L278-I347 PolarHBondContact O-N 2.89Å; L278-R364 HydrophobicContact CD1-CB 3.58Å; L278-R364 HydrophobicContact CD1-CG 4.34Å |
| 279 | V | 94.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 124.9 | 177.7 | -172.5 | 0 | 0 | 0 | 0 | 109.8 | L265 F269 L290 V327 L328 I329 S330 I347 L349 | L265-V279 HydrophobicContact CD1-CG2 4.49Å; L265-V279 HydrophobicContact CD2-CG1 4.39Å; F269-V279 HydrophobicContact CZ-CG2 4.04Å; V279-L290 HydrophobicContact CG1-CD2 3.84Å; V279-V327 HydrophobicContact CG2-CG1 3.72Å; V279-L328 PolarHBondContact N-O 3.25Å; V279-I329 HydrophobicContact CB-CG1 4.08Å; V279-I329 HydrophobicContact CB-CG2 4.41Å; V279-I329 CarbonylContact O-C 3.59Å; V279-I329 VanDerWaalsContact O-CA 3.24Å; V279-I329 WeakPolarHBondContact O-CA 3.42Å; V279-S330 PolarHBondContact O-N 3.08Å; V279-I347 CarbonylContact C-O 3.59Å; V279-I347 WeakPolarHBondContact CA-O 3.44Å; V279-I347 HydrophobicContact CG1-CB 4.45Å; V279-I347 HydrophobicContact CG2-CB 4.35Å; V279-I347 HydrophobicContact CG2-CD1 4.47Å; V279-L349 HydrophobicContact CG1-CB 4.1Å |
| 280 | F | 94.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 126.5 | -178.9 | -61.5 | -66.7 | 0 | 0 | 0 | 111.4 | L278 S330 I338 V346 I347 L349 D350 R361 R364 | L278-F280 HydrophobicContact CB-CE2 4.17Å; L278-F280 HydrophobicContact CB-CZ 4.08Å; L278-F280 HydrophobicContact CD1-CZ 4.25Å; F280-S330 WeakPolarHBondContact CA-O 3.48Å; F280-I338 HydrophobicContact CE1-CD1 4.27Å; F280-V346 HydrophobicContact CD2-CG1 3.99Å; F280-V346 HydrophobicContact CE2-CG1 3.75Å; F280-V346 HydrophobicContact CE2-CG2 4.48Å; F280-I347 PolarHBondContact N-O 3.34Å; F280-L349 VanDerWaalsContact O-CB 3.3Å; F280-L349 WeakPolarHBondContact O-CB 3.24Å; F280-L349 PolarHBondContact O-N 3.03Å; F280-D350 PolarHBondContact O-N 2.75Å; F280-R361 HydrophobicContact CD1-CG 4.27Å; F280-R361 HydrophobicContact CD2-CB 3.74Å; F280-R361 HydrophobicContact CD2-CG 3.77Å; F280-R361 HydrophobicContact CE1-CG 4.47Å; F280-R361 HydrophobicContact CE2-CB 3.67Å; F280-R361 HydrophobicContact CE2-CG 3.96Å; F280-R361 HydrophobicContact CG-CB 4.42Å; F280-R361 HydrophobicContact CG-CG 3.92Å; F280-R361 HydrophobicContact CZ-CB 4.32Å; F280-R361 HydrophobicContact CZ-CG 4.32Å; F280-R364 HydrophobicContact CZ-CG 4.44Å |
| 281 | S | 92.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -131.1 | 142.6 | 171.7 | 175.6 | 0 | 0 | 0 | 0 | 109.8 | L283 S330 T331 D350 | S281-L283 PolarHBondContact O-N 2.96Å; S281-S330 PolarHBondContact N-O 3.39Å; S281-S330 VanDerWaalsContact N-O 3.16Å; S281-T331 WeakPolarHBondContact O-CA 3.23Å; S281-D350 WeakPolarHBondContact CA-OD2 3.34Å; S281-D350 WeakPolarHBondContact CB-OD2 3.11Å; S281-D350 PolarHBondContact OG-OD2 2.95Å | ||
| 282 | N | 87.9 | Confident | 91.5 | Very high | 46 Ų | 46 | 35.3 Ų | 35.3 | 25% | 0.246 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -75.3 | -14.3 | -173.7 | -61.2 | 0.9 | 0 | 0 | 0 | 111.9 | D350 V351 R361 | N282-D350 HydrophobicContact CB-CB 4.08Å; N282-D350 VanDerWaalsContact CG-CB 3.46Å; N282-D350 PolarHBondContact N-OD2 3.47Å; N282-D350 WeakPolarHBondContact OD1-CB 3.32Å; N282-V351 PolarHBondContact ND2-O 3.38Å; N282-R361 PolarHBondContact OD1-NH2 3.14Å |
| 283 | L | 88.3 | Confident | 92 | Very high | 93 Ų | 93 | 36.5 Ų | 36.5 | 49% | 0.487 | 19% | 0.191 | S | C | . | . | trans | -123.1 | 122.6 | -174.6 | -66.4 | 175 | 0 | 0 | 0 | 111.9 | S281 T285 R286 A287 | S281-L283 PolarHBondContact O-N 2.96Å; L283-T285 VanDerWaalsContact C-N 3.3Å; L283-T285 PolarHBondContact O-N 3.19Å; L283-R286 HydrophobicContact CB-CB 4.32Å; L283-R286 HydrophobicContact CB-CG 4.34Å; L283-R286 PolarHBondContact O-N 3.44Å; L283-R286 VanDerWaalsContact O-N 3.12Å; L283-A287 PolarHBondContact O-N 3.04Å | ||
| 284 | H | 88.4 | Confident | 92.4 | Very high | 75 Ų | 75 | 33 Ų | 33 | 35% | 0.347 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -56.8 | -39 | -178.9 | 175.6 | 18.6 | 0 | 0 | 0 | 113.3 | R286 A287 Q288 S305 T331 | H284-R286 VanDerWaalsContact C-N 3.34Å; H284-R286 PolarHBondContact O-N 2.99Å; H284-A287 WeakPolarHBondContact O-CB 3.49Å; H284-A287 PolarHBondContact O-N 3.18Å; H284-Q288 PolarHBondContact O-N 3.34Å; H284-S305 PolarHBondContact CD2-OG 3.03Å; H284-S305 VanDerWaalsContact CD2-OG 3.29Å; H284-S305 PolarHBondContact CE1-OG 2.7Å; H284-S305 VanDerWaalsContact CE1-OG 3.22Å; H284-S305 WeakPolarHBondContact ND1-CB 3.45Å; H284-S305 PolarHBondContact ND1-OG 3.12Å; H284-S305 PolarHBondContact NE2-OG 3.06Å; H284-T331 HydrophobicContact CB-CG2 4.21Å |
| 285 | T | 90.5 | Very high | 92.7 | Very high | 110 Ų | 110 | 35.5 Ų | 35.5 | 68% | 0.675 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -63 | -39.7 | 178.8 | 48.3 | 0 | 0 | 0 | 0 | 112.3 | L283 H289 | L283-T285 VanDerWaalsContact C-N 3.3Å; L283-T285 PolarHBondContact O-N 3.19Å; T285-H289 VanDerWaalsContact O-CB 3.3Å; T285-H289 WeakPolarHBondContact O-CB 3.24Å; T285-H289 PolarHBondContact O-N 2.97Å |
| 286 | R | 91.4 | Very high | 92.9 | Very high | 46 Ų | 46 | 38.8 Ų | 38.8 | 17% | 0.174 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.2 | -38.6 | 173.7 | -69.9 | 170.4 | 93.6 | -146.7 | 13.4 | 111.3 | F258 L283 H284 L290 D350 | F258-R286 HydrophobicContact CD2-CB 4.15Å; F258-R286 HydrophobicContact CD2-CG 4.08Å; F258-R286 VanDerWaalsContact CD2-NE 3.27Å; F258-R286 HydrophobicContact CE2-CB 3.68Å; F258-R286 HydrophobicContact CE2-CG 4.09Å; F258-R286 HydrophobicContact CZ-CB 4.21Å; L283-R286 HydrophobicContact CB-CB 4.32Å; L283-R286 HydrophobicContact CB-CG 4.34Å; L283-R286 PolarHBondContact O-N 3.44Å; L283-R286 VanDerWaalsContact O-N 3.12Å; H284-R286 VanDerWaalsContact C-N 3.34Å; H284-R286 PolarHBondContact O-N 2.99Å; R286-L290 VanDerWaalsContact O-CB 3.28Å; R286-L290 WeakPolarHBondContact O-CB 3.45Å; R286-L290 PolarHBondContact O-N 3.42Å; R286-D350 IonicContact CZ-OD1 2.69Å; R286-D350 IonicContact NH1-OD1 3.22Å; R286-D350 PolarHBondContact NH1-OD1 2.75Å; R286-D350 IonicContact NH1-OD2 3.89Å; R286-D350 PolarHBondContact NH1-OD2 2.89Å; R286-D350 IonicContact NH2-OD1 3.61Å |
| 287 | A | 92.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62 | -42.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L283 H284 A291 I329 T331 | L283-A287 PolarHBondContact O-N 3.04Å; H284-A287 WeakPolarHBondContact O-CB 3.49Å; H284-A287 PolarHBondContact O-N 3.18Å; A287-A291 PolarHBondContact O-N 3.46Å; A287-I329 HydrophobicContact CB-CG2 3.75Å; A287-T331 HydrophobicContact CB-CG2 4.37Å |
| 288 | Q | 93.1 | Very high | 92.8 | Very high | 69 Ų | 69 | 48.4 Ų | 48.4 | 32% | 0.322 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69.1 | -49.3 | 175.7 | -177.1 | 59.9 | 53.1 | 0 | 0 | 111.3 | H284 L290 A291 D292 | H284-Q288 PolarHBondContact O-N 3.34Å; Q288-L290 PolarHBondContact O-N 3.31Å; Q288-A291 WeakPolarHBondContact O-CA 3.48Å; Q288-A291 WeakPolarHBondContact O-CB 3.39Å; Q288-A291 PolarHBondContact O-N 3.38Å; Q288-D292 PolarHBondContact NE2-OD1 3.17Å; Q288-D292 VanDerWaalsContact O-CG 3.25Å; Q288-D292 PolarHBondContact O-N 3.49Å |
| 289 | H | 94.4 | Very high | 92.6 | Very high | 99 Ų | 99 | 49.9 Ų | 49.9 | 46% | 0.458 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57.5 | -35.7 | 178.4 | -174.3 | -144.3 | 0 | 0 | 0 | 111.9 | F258 T285 D292 I293 | F258-H289 AromaticContact CE1-ND1 3.44Å; F258-H289 WeakPolarHBondContact CE1-ND1 3.38Å; T285-H289 VanDerWaalsContact O-CB 3.3Å; T285-H289 WeakPolarHBondContact O-CB 3.24Å; T285-H289 PolarHBondContact O-N 2.97Å; H289-D292 PolarHBondContact O-N 2.87Å; H289-I293 WeakPolarHBondContact O-CD1 3.24Å; H289-I293 VanDerWaalsContact O-CG1 3.24Å; H289-I293 WeakPolarHBondContact O-CG1 3.34Å; H289-I293 PolarHBondContact O-N 3.08Å |
| 290 | L | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.6 | -40.5 | 172.2 | 179.2 | 56.8 | 0 | 0 | 0 | 112.9 | F258 V262 L265 V279 R286 Q288 D292 I293 L294 I329 L349 | F258-L290 HydrophobicContact CZ-CB 4.18Å; V262-L290 HydrophobicContact CG1-CD1 4.06Å; V262-L290 HydrophobicContact CG2-CD1 3.95Å; L265-L290 HydrophobicContact CD2-CD1 3.74Å; L265-L290 HydrophobicContact CD2-CD2 3.77Å; L265-L290 HydrophobicContact CD2-CG 4.33Å; V279-L290 HydrophobicContact CG1-CD2 3.84Å; R286-L290 VanDerWaalsContact O-CB 3.28Å; R286-L290 WeakPolarHBondContact O-CB 3.45Å; R286-L290 PolarHBondContact O-N 3.42Å; Q288-L290 PolarHBondContact O-N 3.31Å; L290-D292 VanDerWaalsContact C-N 3.28Å; L290-D292 PolarHBondContact O-N 3.14Å; L290-I293 PolarHBondContact O-N 2.96Å; L290-L294 HydrophobicContact CD1-CD1 4.14Å; L290-L294 HydrophobicContact CD1-CD2 4.18Å; L290-L294 HydrophobicContact CD1-CG 3.79Å; L290-L294 HydrophobicContact CG-CD1 4.21Å; L290-L294 HydrophobicContact CG-CG 4.26Å; L290-L294 WeakPolarHBondContact O-CG 3.39Å; L290-L294 PolarHBondContact O-N 3.5Å; L290-I329 HydrophobicContact CB-CD1 4.15Å; L290-I329 HydrophobicContact CD2-CD1 4.2Å; L290-I329 HydrophobicContact CD2-CG1 4.19Å; L290-I329 HydrophobicContact CD2-CG2 4.23Å; L290-I329 HydrophobicContact CG-CD1 3.81Å; L290-I329 HydrophobicContact CG-CG1 4.34Å; L290-L349 HydrophobicContact CD2-CD2 4.19Å |
| 291 | A | 94.6 | Very high | 92.5 | Very high | 3 Ų | 3 | 53.9 Ų | 53.9 | 3% | 0.025 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.8 | -40.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A287 Q288 S295 C303 I329 | A287-A291 PolarHBondContact O-N 3.46Å; Q288-A291 WeakPolarHBondContact O-CA 3.48Å; Q288-A291 WeakPolarHBondContact O-CB 3.39Å; Q288-A291 PolarHBondContact O-N 3.38Å; A291-S295 VanDerWaalsContact O-CB 3.25Å; A291-S295 WeakPolarHBondContact O-CB 3.36Å; A291-S295 PolarHBondContact O-N 3.31Å; A291-S295 PolarHBondContact O-OG 3.37Å; A291-C303 HydrophobicContact CB-CB 4.05Å; A291-I329 HydrophobicContact CB-CD1 3.59Å; A291-I329 VanDerWaalsContact N-CD1 3.33Å |
| 292 | D | 94.9 | Very high | 92.6 | Very high | 84 Ų | 84 | 55.4 Ų | 55.4 | 45% | 0.449 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.6 | -44.4 | 177 | -53 | -31.1 | 0 | 0 | 0 | 111 | Q288 H289 L290 S296 | Q288-D292 PolarHBondContact NE2-OD1 3.17Å; Q288-D292 VanDerWaalsContact O-CG 3.25Å; Q288-D292 PolarHBondContact O-N 3.49Å; H289-D292 PolarHBondContact O-N 2.87Å; L290-D292 VanDerWaalsContact C-N 3.28Å; L290-D292 PolarHBondContact O-N 3.14Å; D292-S296 WeakPolarHBondContact O-CB 3.46Å; D292-S296 PolarHBondContact O-N 3.36Å |
| 293 | I | 95.4 | Very high | 92.9 | Very high | 36 Ų | 36 | 53.7 Ų | 53.7 | 19% | 0.185 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.7 | -53.6 | 175.3 | -70.5 | 163.6 | 0 | 0 | 0 | 111.1 | F258 V262 H289 L290 S295 S296 K297 | F258-I293 HydrophobicContact CE1-CD1 4.21Å; V262-I293 HydrophobicContact CG1-CD1 4.41Å; V262-I293 HydrophobicContact CG1-CG2 4.03Å; H289-I293 WeakPolarHBondContact O-CD1 3.24Å; H289-I293 VanDerWaalsContact O-CG1 3.24Å; H289-I293 WeakPolarHBondContact O-CG1 3.34Å; H289-I293 PolarHBondContact O-N 3.08Å; L290-I293 PolarHBondContact O-N 2.96Å; I293-S295 VanDerWaalsContact C-N 3.31Å; I293-S295 PolarHBondContact O-N 2.8Å; I293-S296 PolarHBondContact O-N 3.05Å; I293-S296 VanDerWaalsContact O-N 3.14Å; I293-S296 PolarHBondContact O-OG 3.38Å; I293-K297 WeakPolarHBondContact O-CG 3.3Å; I293-K297 PolarHBondContact O-N 3.12Å; I293-K297 VanDerWaalsContact O-N 3.09Å |
| 294 | L | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.8 | -41.7 | -178.5 | -68.3 | -176.4 | 0 | 0 | 0 | 111.4 | L266 F269 L290 S296 K297 G298 L299 A301 V327 I329 | L266-L294 HydrophobicContact CD2-CD2 3.69Å; F269-L294 HydrophobicContact CD2-CD2 4.24Å; F269-L294 HydrophobicContact CE2-CD1 3.93Å; F269-L294 HydrophobicContact CE2-CD2 4.05Å; L290-L294 HydrophobicContact CD1-CD1 4.14Å; L290-L294 HydrophobicContact CD1-CD2 4.18Å; L290-L294 HydrophobicContact CD1-CG 3.79Å; L290-L294 HydrophobicContact CG-CD1 4.21Å; L290-L294 HydrophobicContact CG-CG 4.26Å; L290-L294 WeakPolarHBondContact O-CG 3.39Å; L290-L294 PolarHBondContact O-N 3.5Å; L294-S296 VanDerWaalsContact C-N 3.35Å; L294-S296 PolarHBondContact O-N 3.33Å; L294-K297 CarbonylContact O-C 3.54Å; L294-K297 WeakPolarHBondContact O-CA 3.48Å; L294-K297 PolarHBondContact O-N 2.75Å; L294-G298 PolarHBondContact O-N 2.79Å; L294-L299 CarbonylContact C-O 3.54Å; L294-L299 VanDerWaalsContact C-O 3.27Å; L294-L299 HydrophobicContact CB-CB 4.29Å; L294-L299 HydrophobicContact CD2-CD1 4.24Å; L294-L299 PolarHBondContact O-N 3.45Å; L294-A301 HydrophobicContact CB-CB 3.65Å; L294-A301 HydrophobicContact CD1-CB 4.03Å; L294-A301 HydrophobicContact CG-CB 4.47Å; L294-V327 HydrophobicContact CD1-CB 4.29Å; L294-V327 HydrophobicContact CD1-CG1 3.94Å; L294-V327 HydrophobicContact CD1-CG2 4.35Å; L294-I329 HydrophobicContact CD1-CD1 4.2Å |
| 295 | S | 94.3 | Very high | 92.9 | Very high | 58 Ų | 58 | 45.8 Ų | 45.8 | 41% | 0.406 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.1 | -40 | 176.1 | -59 | 0 | 0 | 0 | 0 | 111.9 | A291 I293 K297 G298 L299 A301 | A291-S295 VanDerWaalsContact O-CB 3.25Å; A291-S295 WeakPolarHBondContact O-CB 3.36Å; A291-S295 PolarHBondContact O-N 3.31Å; A291-S295 PolarHBondContact O-OG 3.37Å; I293-S295 VanDerWaalsContact C-N 3.31Å; I293-S295 PolarHBondContact O-N 2.8Å; S295-K297 PolarHBondContact O-N 2.67Å; S295-G298 PolarHBondContact O-N 3.1Å; S295-L299 WeakPolarHBondContact CA-O 3.33Å; S295-L299 PolarHBondContact N-O 3.38Å; S295-A301 PolarHBondContact OG-O 3.31Å |
| 296 | S | 94.4 | Very high | 92.4 | Very high | 93 Ų | 93 | 42.5 Ų | 42.5 | 65% | 0.65 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -65.4 | -21.9 | 174.1 | 80.5 | 0 | 0 | 0 | 0 | 113.9 | D292 I293 L294 | D292-S296 WeakPolarHBondContact O-CB 3.46Å; D292-S296 PolarHBondContact O-N 3.36Å; I293-S296 PolarHBondContact O-N 3.05Å; I293-S296 VanDerWaalsContact O-N 3.14Å; I293-S296 PolarHBondContact O-OG 3.38Å; L294-S296 VanDerWaalsContact C-N 3.35Å; L294-S296 PolarHBondContact O-N 3.33Å |
| 297 | K | 91.9 | Very high | 91.8 | Very high | 141 Ų | 141 | 43.4 Ų | 43.4 | 61% | 0.613 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 7 | 174.3 | -62.8 | -67.2 | -176.4 | 175.4 | 0 | 113.2 | L266 I293 L294 S295 | L266-K297 HydrophobicContact CD1-CG 4.45Å; L266-K297 HydrophobicContact CD2-CB 4.41Å; L266-K297 HydrophobicContact CD2-CG 4.22Å; I293-K297 WeakPolarHBondContact O-CG 3.3Å; I293-K297 PolarHBondContact O-N 3.12Å; I293-K297 VanDerWaalsContact O-N 3.09Å; L294-K297 CarbonylContact O-C 3.54Å; L294-K297 WeakPolarHBondContact O-CA 3.48Å; L294-K297 PolarHBondContact O-N 2.75Å; S295-K297 PolarHBondContact O-N 2.67Å |
| 298 | G | 90.3 | Very high | 91.5 | Very high | 63 Ų | 63 | 45.4 Ų | 45.4 | 65% | 0.649 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | 12.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L294 S295 P300 | L294-G298 PolarHBondContact O-N 2.79Å; S295-G298 PolarHBondContact O-N 3.1Å; G298-P300 WeakPolarHBondContact O-CD 3.46Å |
| 299 | L | 90.3 | Very high | 91.3 | Very high | 32 Ų | 32 | 44.8 Ų | 44.8 | 17% | 0.168 | 29% | 0.293 | C | S | . | . | trans | -99.8 | 108.2 | 172.9 | -70.3 | 172.5 | 0 | 0 | 0 | 109.4 | L266 F269 L294 S295 A301 | L266-L299 HydrophobicContact CD2-CD1 4.47Å; F269-L299 HydrophobicContact CB-CD1 4.33Å; F269-L299 HydrophobicContact CD2-CD1 3.85Å; F269-L299 HydrophobicContact CG-CD1 4.47Å; L294-L299 CarbonylContact C-O 3.54Å; L294-L299 VanDerWaalsContact C-O 3.27Å; L294-L299 HydrophobicContact CB-CB 4.29Å; L294-L299 HydrophobicContact CD2-CD1 4.24Å; L294-L299 PolarHBondContact O-N 3.45Å; S295-L299 WeakPolarHBondContact CA-O 3.33Å; S295-L299 PolarHBondContact N-O 3.38Å; L299-A301 PolarHBondContact O-N 3.48Å | ||
| 300 | P | 93.1 | Very high | 90.9 | Very high | 71 Ų | 71 | 40.3 Ų | 40.3 | 46% | 0.461 | 27% | 0.272 | S | S | . | . | trans | -61.9 | 105.4 | -177.5 | -25.5 | 36.4 | 0 | 0 | 0 | 111.8 | G298 C325 R326 V327 | G298-P300 WeakPolarHBondContact O-CD 3.46Å; P300-C325 WeakPolarHBondContact O-CB 3.44Å; P300-R326 PolarHBondContact O-N 3.22Å; P300-V327 PolarHBondContact O-N 3.31Å | ||
| 301 | A | 95 | Very high | 90.5 | Very high | 12 Ų | 12 | 44.3 Ų | 44.3 | 10% | 0.099 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 144 | -174 | 0 | 0 | 0 | 0 | 0 | 111.5 | L294 S295 L299 V327 I329 | L294-A301 HydrophobicContact CB-CB 3.65Å; L294-A301 HydrophobicContact CD1-CB 4.03Å; L294-A301 HydrophobicContact CG-CB 4.47Å; S295-A301 PolarHBondContact OG-O 3.31Å; L299-A301 PolarHBondContact O-N 3.48Å; A301-V327 WeakPolarHBondContact CA-O 3.41Å; A301-V327 HydrophobicContact CB-CB 4.15Å; A301-I329 HydrophobicContact CB-CD1 4.22Å |
| 302 | V | 94.3 | Very high | 90.3 | Very high | 33 Ų | 33 | 48.6 Ų | 48.6 | 20% | 0.2 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 141.2 | 176.8 | 177.3 | 0 | 0 | 0 | 0 | 108.9 | A316 K319 C325 V327 L328 I329 | V302-A316 HydrophobicContact CG1-CB 3.68Å; V302-K319 HydrophobicContact CG2-CD 4.37Å; V302-C325 HydrophobicContact CG2-CB 3.78Å; V302-V327 PolarHBondContact N-O 3.06Å; V302-L328 HydrophobicContact CB-CD1 3.94Å; V302-L328 HydrophobicContact CG1-CD1 3.95Å; V302-L328 WeakPolarHBondContact O-CA 3.24Å; V302-I329 PolarHBondContact O-N 3.09Å |
| 303 | C | 93.1 | Very high | 90 | Very high | 9 Ų | 9 | 45.2 Ų | 45.2 | 6% | 0.061 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 138.1 | 168.5 | -174 | 0 | 0 | 0 | 0 | 110 | A291 I329 | A291-C303 HydrophobicContact CB-CB 4.05Å; C303-I329 CarbonylContact C-O 3.58Å; C303-I329 WeakPolarHBondContact CA-O 3.3Å |
| 304 | I | 89.6 | Confident | 89.5 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 138.5 | 163.9 | -168.6 | 170.5 | 0 | 0 | 0 | 109.3 | R313 A316 M317 L328 I329 T334 | I304-R313 HydrophobicContact CD1-CB 4.09Å; I304-R313 HydrophobicContact CD1-CG 4.31Å; I304-R313 HydrophobicContact CG1-CB 4.42Å; I304-R313 HydrophobicContact CG1-CG 4.13Å; I304-A316 HydrophobicContact CB-CB 4.46Å; I304-M317 HydrophobicContact CD1-CG 3.99Å; I304-M317 HydrophobicContact CD1-SD 4.27Å; I304-L328 HydrophobicContact CB-CD1 4.19Å; I304-L328 HydrophobicContact CG2-CD1 4.05Å; I304-L328 HydrophobicContact CG2-CD2 4.1Å; I304-L328 HydrophobicContact CG2-CG 4.08Å; I304-I329 PolarHBondContact N-O 3.46Å; I304-T334 HydrophobicContact CG1-CG2 4.18Å; I304-T334 PolarHBondContact O-OG1 2.99Å |
| 305 | S | 87 | Confident | 89.3 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.007 | 32% | 0.318 | C | S | . | . | trans | -152.4 | 170.5 | -178.1 | 88.8 | 0 | 0 | 0 | 0 | 112.6 | H284 G307 R313 | H284-S305 PolarHBondContact CD2-OG 3.03Å; H284-S305 VanDerWaalsContact CD2-OG 3.29Å; H284-S305 PolarHBondContact CE1-OG 2.7Å; H284-S305 VanDerWaalsContact CE1-OG 3.22Å; H284-S305 WeakPolarHBondContact ND1-CB 3.45Å; H284-S305 PolarHBondContact ND1-OG 3.12Å; H284-S305 PolarHBondContact NE2-OG 3.06Å; S305-G307 PolarHBondContact O-N 3.4Å; S305-G307 PolarHBondContact OG-N 3.24Å; S305-G307 VanDerWaalsContact OG-N 3.08Å; S305-R313 PolarHBondContact O-NH1 2.94Å | ||
| 306 | G | 80.4 | Confident | 89.1 | Confident | 42 Ų | 42 | 47.6 Ų | 47.6 | 43% | 0.433 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -21.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 307 | G | 79.5 | Confident | 88.8 | Confident | 65 Ų | 65 | 43.8 Ų | 43.8 | 67% | 0.67 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -11.6 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | S305 | S305-G307 PolarHBondContact O-N 3.4Å; S305-G307 PolarHBondContact OG-N 3.24Å; S305-G307 VanDerWaalsContact OG-N 3.08Å |
| 308 | L | 85.3 | Confident | 88.6 | Confident | 41 Ų | 41 | 39.2 Ų | 39.2 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -77.6 | 151.5 | 177.7 | -63.4 | -178.1 | 0 | 0 | 0 | 111.9 | Q312 R313 | L308-Q312 HydrophobicContact CB-CB 4.17Å; L308-R313 HydrophobicContact CB-CG 3.91Å |
| 309 | S | 88.6 | Confident | 88.7 | Confident | 57 Ų | 57 | 39.2 Ų | 39.2 | 40% | 0.399 | 24% | 0.24 | S | C | . | . | trans | -64.1 | 159.8 | 172 | 84.6 | 0 | 0 | 0 | 0 | 111.2 | D311 Q312 R313 | S309-D311 VanDerWaalsContact C-N 3.27Å; S309-D311 PolarHBondContact O-N 2.93Å; S309-Q312 PolarHBondContact O-N 3.45Å; S309-Q312 WeakPolarHBondContact OG-CG 3.42Å; S309-Q312 PolarHBondContact OG-N 2.69Å; S309-Q312 PolarHBondContact OG-OE1 3.14Å; S309-R313 WeakPolarHBondContact O-CG 3.26Å; S309-R313 PolarHBondContact O-N 2.93Å | ||
| 310 | Q | 85.8 | Confident | 88.6 | Confident | 5 Ų | 5 | 37.7 Ų | 37.7 | 2% | 0.023 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.3 | -37.2 | -176.7 | -170 | 54.2 | 35.6 | 0 | 0 | 112.4 | E106 I131 R313 L314 | E106-Q310 PolarHBondContact OE1-NE2 2.89Å; I131-Q310 HydrophobicContact CD1-CG 4.13Å; Q310-R313 PolarHBondContact O-N 3.17Å; Q310-L314 HydrophobicContact CG-CD1 4.27Å; Q310-L314 VanDerWaalsContact O-CG 3.32Å; Q310-L314 WeakPolarHBondContact O-CG 3.44Å; Q310-L314 PolarHBondContact O-N 2.96Å |
| 311 | D | 88.1 | Confident | 88.3 | Confident | 84 Ų | 84 | 39.5 Ų | 39.5 | 45% | 0.449 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -75.1 | -31.5 | -178.5 | -52.8 | -55.9 | 0 | 0 | 0 | 111.3 | R134 S309 L314 E315 | R134-D311 IonicContact CZ-OD1 3.84Å; R134-D311 IonicContact NE-OD1 2.81Å; R134-D311 PolarHBondContact NE-OD1 3.36Å; R134-D311 IonicContact NH2-OD1 3.99Å; R134-D311 PolarHBondContact NH2-OD1 2.98Å; S309-D311 VanDerWaalsContact C-N 3.27Å; S309-D311 PolarHBondContact O-N 2.93Å; D311-L314 PolarHBondContact O-N 2.98Å; D311-E315 WeakPolarHBondContact O-CB 3.32Å; D311-E315 PolarHBondContact O-N 3.38Å |
| 312 | Q | 90.1 | Very high | 88 | Confident | 92 Ų | 92 | 44.6 Ų | 44.6 | 43% | 0.43 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 168.3 | -74 | 171 | -32.8 | 0 | 0 | 112.6 | L308 S309 E315 A316 | L308-Q312 HydrophobicContact CB-CB 4.17Å; S309-Q312 PolarHBondContact O-N 3.45Å; S309-Q312 WeakPolarHBondContact OG-CG 3.42Å; S309-Q312 PolarHBondContact OG-N 2.69Å; S309-Q312 PolarHBondContact OG-OE1 3.14Å; Q312-E315 PolarHBondContact O-N 2.95Å; Q312-A316 WeakPolarHBondContact O-CB 3.44Å; Q312-A316 PolarHBondContact O-N 3.01Å |
| 313 | R | 88 | Confident | 87.7 | Confident | 14 Ų | 14 | 46.2 Ų | 46.2 | 5% | 0.053 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 174.7 | -70.3 | 164.6 | 63.6 | 119.4 | -6.2 | 111.2 | E106 I304 S305 L308 S309 Q310 A316 M317 T334 | E106-R313 VanDerWaalsContact CD-NH2 3.26Å; E106-R313 IonicContact OE1-CZ 3.44Å; E106-R313 IonicContact OE1-NE 3.31Å; E106-R313 PolarHBondContact OE1-NE 2.88Å; E106-R313 IonicContact OE1-NH2 2.84Å; E106-R313 PolarHBondContact OE1-NH2 2.89Å; E106-R313 IonicContact OE2-CZ 2.73Å; E106-R313 IonicContact OE2-NE 2.7Å; E106-R313 IonicContact OE2-NH2 2.83Å; E106-R313 PolarHBondContact OE2-NH2 2.6Å; I304-R313 HydrophobicContact CD1-CB 4.09Å; I304-R313 HydrophobicContact CD1-CG 4.31Å; I304-R313 HydrophobicContact CG1-CB 4.42Å; I304-R313 HydrophobicContact CG1-CG 4.13Å; S305-R313 PolarHBondContact O-NH1 2.94Å; L308-R313 HydrophobicContact CB-CG 3.91Å; S309-R313 WeakPolarHBondContact O-CG 3.26Å; S309-R313 PolarHBondContact O-N 2.93Å; Q310-R313 PolarHBondContact O-N 3.17Å; R313-A316 PolarHBondContact O-N 3.43Å; R313-M317 WeakPolarHBondContact O-CG 3.45Å; R313-M317 PolarHBondContact O-N 3Å; R313-T334 VanDerWaalsContact NH1-CG2 3.26Å |
| 314 | L | 86.2 | Confident | 87.6 | Confident | 42 Ų | 42 | 51.1 Ų | 51.1 | 22% | 0.22 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.1 | -37 | 176.3 | -67.3 | 171 | 0 | 0 | 0 | 112.2 | V109 Q310 D311 M317 S318 | V109-L314 HydrophobicContact CG2-CD2 4.31Å; Q310-L314 HydrophobicContact CG-CD1 4.27Å; Q310-L314 VanDerWaalsContact O-CG 3.32Å; Q310-L314 WeakPolarHBondContact O-CG 3.44Å; Q310-L314 PolarHBondContact O-N 2.96Å; D311-L314 PolarHBondContact O-N 2.98Å; L314-M317 PolarHBondContact O-N 3.14Å; L314-S318 WeakPolarHBondContact O-CB 3.47Å; L314-S318 PolarHBondContact O-N 2.97Å |
| 315 | E | 90.3 | Very high | 87.6 | Confident | 98 Ų | 98 | 51.2 Ų | 51.2 | 46% | 0.458 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 173.5 | -168.9 | -166.5 | 159.3 | 0 | 0 | 111.6 | D311 Q312 M317 S318 K319 | D311-E315 WeakPolarHBondContact O-CB 3.32Å; D311-E315 PolarHBondContact O-N 3.38Å; Q312-E315 PolarHBondContact O-N 2.95Å; E315-M317 PolarHBondContact O-N 3.09Å; E315-S318 WeakPolarHBondContact O-CB 3.49Å; E315-S318 PolarHBondContact O-N 3.44Å; E315-S318 VanDerWaalsContact O-N 3.17Å; E315-K319 WeakPolarHBondContact O-CG 3.36Å; E315-K319 PolarHBondContact O-N 2.91Å; E315-K319 WeakPolarHBondContact OE1-CE 3.44Å; E315-K319 IonicContact OE1-NZ 3.85Å; E315-K319 PolarHBondContact OE1-NZ 3.32Å |
| 316 | A | 90 | Very high | 87.9 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 3% | 0.033 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.7 | -43 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V302 I304 Q312 R313 S318 K319 L320 L328 | V302-A316 HydrophobicContact CG1-CB 3.68Å; I304-A316 HydrophobicContact CB-CB 4.46Å; Q312-A316 WeakPolarHBondContact O-CB 3.44Å; Q312-A316 PolarHBondContact O-N 3.01Å; R313-A316 PolarHBondContact O-N 3.43Å; A316-S318 VanDerWaalsContact C-N 3.34Å; A316-K319 PolarHBondContact O-N 3.04Å; A316-L320 PolarHBondContact O-N 3.4Å; A316-L320 VanDerWaalsContact O-N 3.14Å; A316-L328 HydrophobicContact CB-CD1 4.34Å |
| 317 | M | 87.8 | Confident | 88.6 | Confident | 12 Ų | 12 | 53.2 Ų | 53.2 | 6% | 0.059 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.2 | -36.1 | 173.8 | -73.5 | -59.5 | -64.3 | 0 | 0 | 112.6 | E106 I304 R313 L314 E315 K321 L328 I338 | E106-M317 HydrophobicContact CG-CG 4.42Å; I304-M317 HydrophobicContact CD1-CG 3.99Å; I304-M317 HydrophobicContact CD1-SD 4.27Å; R313-M317 WeakPolarHBondContact O-CG 3.45Å; R313-M317 PolarHBondContact O-N 3Å; L314-M317 PolarHBondContact O-N 3.14Å; E315-M317 PolarHBondContact O-N 3.09Å; M317-K321 PolarHBondContact O-N 2.87Å; M317-L328 HydrophobicContact SD-CD2 4.06Å; M317-I338 HydrophobicContact CE-CB 4.42Å; M317-I338 HydrophobicContact CE-CG2 4.18Å; M317-I338 HydrophobicContact SD-CG1 4.18Å; M317-I338 HydrophobicContact SD-CG2 4.45Å |
| 318 | S | 87.9 | Confident | 89.3 | Confident | 46 Ų | 46 | 50.1 Ų | 50.1 | 32% | 0.322 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.6 | -44.8 | 174.6 | -166 | 0 | 0 | 0 | 0 | 111.4 | L314 E315 A316 L320 K321 Q322 | L314-S318 WeakPolarHBondContact O-CB 3.47Å; L314-S318 PolarHBondContact O-N 2.97Å; E315-S318 WeakPolarHBondContact O-CB 3.49Å; E315-S318 PolarHBondContact O-N 3.44Å; E315-S318 VanDerWaalsContact O-N 3.17Å; A316-S318 VanDerWaalsContact C-N 3.34Å; S318-L320 VanDerWaalsContact C-N 3.32Å; S318-L320 PolarHBondContact O-N 3.03Å; S318-K321 PolarHBondContact O-N 2.91Å; S318-Q322 VanDerWaalsContact O-CB 3.28Å; S318-Q322 WeakPolarHBondContact O-CB 3.32Å; S318-Q322 VanDerWaalsContact O-CG 3.31Å; S318-Q322 WeakPolarHBondContact O-CG 3.17Å; S318-Q322 PolarHBondContact O-N 3.18Å; S318-Q322 PolarHBondContact OG-NE2 3.2Å |
| 319 | K | 91.4 | Very high | 89.7 | Confident | 63 Ų | 63 | 48.1 Ų | 48.1 | 27% | 0.274 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.3 | -41 | 176 | -75 | 172 | -178.1 | 171.4 | 0 | 112.6 | V302 E315 A316 Y323 Q324 C325 | V302-K319 HydrophobicContact CG2-CD 4.37Å; E315-K319 WeakPolarHBondContact O-CG 3.36Å; E315-K319 PolarHBondContact O-N 2.91Å; E315-K319 WeakPolarHBondContact OE1-CE 3.44Å; E315-K319 IonicContact OE1-NZ 3.85Å; E315-K319 PolarHBondContact OE1-NZ 3.32Å; A316-K319 PolarHBondContact O-N 3.04Å; K319-Y323 PolarHBondContact O-N 3.37Å; K319-Q324 HydrophobicContact CB-CB 4.19Å; K319-Q324 HydrophobicContact CG-CB 4.27Å; K319-Q324 PolarHBondContact O-N 2.81Å; K319-C325 PolarHBondContact O-N 2.74Å |
| 320 | L | 89.3 | Confident | 89.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.7 | -54.2 | 173.4 | -175.6 | 72.8 | 0 | 0 | 0 | 110.8 | Q276 L278 A316 S318 Q322 Y323 L328 I338 A340 V343 | Q276-L320 HydrophobicContact CB-CD1 4.24Å; Q276-L320 HydrophobicContact CG-CD1 4.39Å; Q276-L320 PolarHBondContact NE2-O 3.31Å; Q276-L320 PolarHBondContact OE1-O 3.16Å; L278-L320 HydrophobicContact CD2-CD2 3.91Å; A316-L320 PolarHBondContact O-N 3.4Å; A316-L320 VanDerWaalsContact O-N 3.14Å; S318-L320 VanDerWaalsContact C-N 3.32Å; S318-L320 PolarHBondContact O-N 3.03Å; L320-Q322 VanDerWaalsContact C-N 3.26Å; L320-Q322 PolarHBondContact O-N 3.22Å; L320-Y323 PolarHBondContact O-N 3.24Å; L320-L328 HydrophobicContact CB-CD2 4.43Å; L320-L328 HydrophobicContact CD1-CB 4.02Å; L320-L328 HydrophobicContact CD2-CB 4.26Å; L320-L328 HydrophobicContact CD2-CD2 3.78Å; L320-I338 HydrophobicContact CD2-CG2 4.04Å; L320-A340 HydrophobicContact CD2-CB 3.57Å; L320-A340 HydrophobicContact CG-CB 3.94Å; L320-V343 HydrophobicContact CD2-CG2 4.41Å |
| 321 | K | 86.2 | Confident | 89.9 | Confident | 109 Ų | 109 | 46 Ų | 46 | 47% | 0.474 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.8 | -34.3 | -178.6 | -75.5 | -169.7 | 170.4 | -166.4 | 0 | 113.6 | M317 S318 Y323 D339 | M317-K321 PolarHBondContact O-N 2.87Å; S318-K321 PolarHBondContact O-N 2.91Å; K321-Y323 VanDerWaalsContact C-N 3.3Å; K321-D339 WeakPolarHBondContact CE-O 3.2Å |
| 322 | Q | 88.6 | Confident | 89.1 | Confident | 119 Ų | 119 | 44.4 Ų | 44.4 | 56% | 0.556 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87 | 6.8 | 178.7 | -65.1 | 176.3 | -7.6 | 0 | 0 | 113.5 | S318 L320 Q324 | S318-Q322 VanDerWaalsContact O-CB 3.28Å; S318-Q322 WeakPolarHBondContact O-CB 3.32Å; S318-Q322 VanDerWaalsContact O-CG 3.31Å; S318-Q322 WeakPolarHBondContact O-CG 3.17Å; S318-Q322 PolarHBondContact O-N 3.18Å; S318-Q322 PolarHBondContact OG-NE2 3.2Å; L320-Q322 VanDerWaalsContact C-N 3.26Å; L320-Q322 PolarHBondContact O-N 3.22Å; Q322-Q324 HydrophobicContact CB-CG 4.14Å; Q322-Q324 PolarHBondContact O-N 2.87Å |
| 323 | Y | 88.6 | Confident | 87.7 | Confident | 66 Ų | 66 | 45.8 Ų | 45.8 | 26% | 0.259 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 24.7 | -179.8 | -152.4 | -99.7 | 0 | 0 | 0 | 114.3 | N275 Q276 K319 L320 K321 K342 V418 | N275-Y323 PolarHBondContact O-OH 3.09Å; Q276-Y323 HydrophobicContact CG-CD2 3.74Å; Q276-Y323 HydrophobicContact CG-CE2 3.58Å; K319-Y323 PolarHBondContact O-N 3.37Å; L320-Y323 PolarHBondContact O-N 3.24Å; K321-Y323 VanDerWaalsContact C-N 3.3Å; Y323-K342 HydrophobicContact CD2-CD 3.71Å; Y323-K342 HydrophobicContact CE2-CD 4.18Å; Y323-V418 HydrophobicContact CE1-CG1 4.27Å; Y323-V418 HydrophobicContact CE1-CG2 4.25Å |
| 324 | Q | 90.1 | Very high | 86.3 | Confident | 113 Ų | 113 | 45.3 Ų | 45.3 | 53% | 0.528 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -81.1 | -19.2 | 175.4 | -63.2 | 176.7 | 11.4 | 0 | 0 | 112.5 | K319 Q322 | K319-Q324 HydrophobicContact CB-CB 4.19Å; K319-Q324 HydrophobicContact CG-CB 4.27Å; K319-Q324 PolarHBondContact O-N 2.81Å; Q322-Q324 HydrophobicContact CB-CG 4.14Å; Q322-Q324 PolarHBondContact O-N 2.87Å |
| 325 | C | 90.9 | Very high | 84.8 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.02 | 21% | 0.207 | C | C | . | . | trans | -121.5 | 148 | 162.7 | 64.2 | 0 | 0 | 0 | 0 | 110.9 | Q276 P300 V302 K319 | Q276-C325 PolarHBondContact NE2-O 2.88Å; P300-C325 WeakPolarHBondContact O-CB 3.44Å; V302-C325 HydrophobicContact CG2-CB 3.78Å; K319-C325 PolarHBondContact O-N 2.74Å | ||
| 326 | R | 92.8 | Very high | 84 | Confident | 84 Ų | 84 | 39.2 Ų | 39.2 | 32% | 0.317 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -94.4 | -23.8 | 175.7 | -159.2 | -175.6 | 176.4 | -172.5 | -1.4 | 111.6 | F274 N275 Q276 A277 P300 | F274-R326 HydrophobicContact CE2-CG 3.91Å; F274-R326 HydrophobicContact CZ-CG 4.44Å; F274-R326 PolarHBondContact O-NE 3.45Å; F274-R326 PolarHBondContact O-NH2 3.12Å; N275-R326 VanDerWaalsContact O-CG 3.25Å; N275-R326 WeakPolarHBondContact O-CG 3.43Å; Q276-R326 VanDerWaalsContact CA-O 3.28Å; Q276-R326 WeakPolarHBondContact CA-O 3.25Å; A277-R326 PolarHBondContact N-O 2.97Å; P300-R326 PolarHBondContact O-N 3.22Å |
| 327 | V | 94.9 | Very high | 82.8 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 131.6 | 177.7 | -168.6 | 0 | 0 | 0 | 0 | 110.1 | F269 F274 A277 V279 L294 P300 A301 V302 I329 | F269-V327 HydrophobicContact CE2-CG2 4.18Å; F269-V327 HydrophobicContact CZ-CG1 4.2Å; F269-V327 HydrophobicContact CZ-CG2 4.04Å; F274-V327 HydrophobicContact CE2-CG2 4.37Å; F274-V327 HydrophobicContact CZ-CG2 4.42Å; A277-V327 HydrophobicContact CB-CG1 4.39Å; A277-V327 HydrophobicContact CB-CG2 4.43Å; A277-V327 WeakPolarHBondContact O-CA 3.42Å; V279-V327 HydrophobicContact CG2-CG1 3.72Å; L294-V327 HydrophobicContact CD1-CB 4.29Å; L294-V327 HydrophobicContact CD1-CG1 3.94Å; L294-V327 HydrophobicContact CD1-CG2 4.35Å; P300-V327 PolarHBondContact O-N 3.31Å; A301-V327 WeakPolarHBondContact CA-O 3.41Å; A301-V327 HydrophobicContact CB-CB 4.15Å; V302-V327 PolarHBondContact N-O 3.06Å; V327-I329 HydrophobicContact CG1-CG1 4.18Å |
| 328 | L | 93.9 | Very high | 82.3 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 124.3 | 166 | -179.7 | 74.4 | 0 | 0 | 0 | 108.8 | A277 L278 V279 V302 I304 A316 M317 L320 I338 | A277-L328 PolarHBondContact O-N 2.87Å; L278-L328 WeakPolarHBondContact CA-O 3.5Å; L278-L328 HydrophobicContact CD2-CB 3.82Å; L278-L328 HydrophobicContact CD2-CD2 4.18Å; L278-L328 HydrophobicContact CD2-CG 4.42Å; V279-L328 PolarHBondContact N-O 3.25Å; V302-L328 HydrophobicContact CB-CD1 3.94Å; V302-L328 HydrophobicContact CG1-CD1 3.95Å; V302-L328 WeakPolarHBondContact O-CA 3.24Å; I304-L328 HydrophobicContact CB-CD1 4.19Å; I304-L328 HydrophobicContact CG2-CD1 4.05Å; I304-L328 HydrophobicContact CG2-CD2 4.1Å; I304-L328 HydrophobicContact CG2-CG 4.08Å; A316-L328 HydrophobicContact CB-CD1 4.34Å; M317-L328 HydrophobicContact SD-CD2 4.06Å; L320-L328 HydrophobicContact CB-CD2 4.43Å; L320-L328 HydrophobicContact CD1-CB 4.02Å; L320-L328 HydrophobicContact CD2-CB 4.26Å; L320-L328 HydrophobicContact CD2-CD2 3.78Å; L328-I338 HydrophobicContact CD2-CD1 4.14Å |
| 329 | I | 94.3 | Very high | 81.7 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 130.8 | 179.9 | -55 | 144.4 | 0 | 0 | 0 | 107.9 | V279 A287 L290 A291 L294 A301 V302 C303 I304 V327 | V279-I329 HydrophobicContact CB-CG1 4.08Å; V279-I329 HydrophobicContact CB-CG2 4.41Å; V279-I329 CarbonylContact O-C 3.59Å; V279-I329 VanDerWaalsContact O-CA 3.24Å; V279-I329 WeakPolarHBondContact O-CA 3.42Å; A287-I329 HydrophobicContact CB-CG2 3.75Å; L290-I329 HydrophobicContact CB-CD1 4.15Å; L290-I329 HydrophobicContact CD2-CD1 4.2Å; L290-I329 HydrophobicContact CD2-CG1 4.19Å; L290-I329 HydrophobicContact CD2-CG2 4.23Å; L290-I329 HydrophobicContact CG-CD1 3.81Å; L290-I329 HydrophobicContact CG-CG1 4.34Å; A291-I329 HydrophobicContact CB-CD1 3.59Å; A291-I329 VanDerWaalsContact N-CD1 3.33Å; L294-I329 HydrophobicContact CD1-CD1 4.2Å; A301-I329 HydrophobicContact CB-CD1 4.22Å; V302-I329 PolarHBondContact O-N 3.09Å; C303-I329 CarbonylContact C-O 3.58Å; C303-I329 WeakPolarHBondContact CA-O 3.3Å; I304-I329 PolarHBondContact N-O 3.46Å; V327-I329 HydrophobicContact CG1-CG1 4.18Å |
| 330 | S | 91.6 | Very high | 81.1 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 151.3 | -172.3 | -177.7 | 0 | 0 | 0 | 0 | 112 | V279 F280 S281 T334 S335 | V279-S330 PolarHBondContact O-N 3.08Å; F280-S330 WeakPolarHBondContact CA-O 3.48Å; S281-S330 PolarHBondContact N-O 3.39Å; S281-S330 VanDerWaalsContact N-O 3.16Å; S330-T334 WeakPolarHBondContact OG-CB 3.04Å; S330-T334 PolarHBondContact OG-O 3.04Å; S330-T334 PolarHBondContact OG-OG1 3.34Å; S330-S335 PolarHBondContact OG-N 3Å |
| 331 | T | 87.8 | Confident | 80.6 | Confident | 18 Ų | 18 | 38.7 Ų | 38.7 | 11% | 0.11 | 18% | 0.182 | C | C | . | . | trans | -92.4 | 170.2 | 161.5 | 71.1 | 0 | 0 | 0 | 0 | 110.8 | S281 H284 A287 L333 T334 S335 | S281-T331 WeakPolarHBondContact O-CA 3.23Å; H284-T331 HydrophobicContact CB-CG2 4.21Å; A287-T331 HydrophobicContact CB-CG2 4.37Å; T331-L333 VanDerWaalsContact C-N 3.31Å; T331-L333 PolarHBondContact O-N 3.07Å; T331-T334 PolarHBondContact N-OG1 2.98Å; T331-T334 CarbonylContact O-C 3.35Å; T331-T334 PolarHBondContact O-N 2.77Å; T331-T334 PolarHBondContact O-OG1 3.13Å; T331-T334 VanDerWaalsContact O-OG1 3.08Å; T331-S335 PolarHBondContact O-N 2.9Å; T331-S335 VanDerWaalsContact O-N 3.09Å | ||
| 332 | D | 69.6 | Low | 80.5 | Confident | 49 Ų | 49 | 35.8 Ų | 35.8 | 26% | 0.262 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -61.5 | -34.8 | -175.7 | -68.8 | -61 | 0 | 0 | 0 | 114.3 | T334 S335 T357 R361 | D332-T334 PolarHBondContact O-N 3.33Å; D332-S335 PolarHBondContact O-N 3.09Å; D332-S335 PolarHBondContact O-OG 3.39Å; D332-T357 HydrophobicContact CB-CG2 4.48Å; D332-T357 WeakPolarHBondContact OD1-CG2 3.48Å; D332-R361 IonicContact OD1-CZ 3.13Å; D332-R361 IonicContact OD1-NE 3.71Å; D332-R361 PolarHBondContact OD1-NE 3.46Å; D332-R361 IonicContact OD1-NH2 2.72Å; D332-R361 PolarHBondContact OD1-NH2 2.75Å; D332-R361 IonicContact OD2-CZ 3.82Å; D332-R361 IonicContact OD2-NH2 2.72Å; D332-R361 PolarHBondContact OD2-NH2 2.84Å |
| 333 | L | 60.6 | Low | 80.5 | Confident | 122 Ų | 122 | 30.4 Ų | 30.4 | 64% | 0.639 | 15% | 0.145 | S | C | * | . | G | 310 helix | trans | -68.4 | -6.3 | 177 | -159.8 | 67.3 | 0 | 0 | 0 | 113 | T331 | T331-L333 VanDerWaalsContact C-N 3.31Å; T331-L333 PolarHBondContact O-N 3.07Å |
| 334 | T | 59.4 | Low | 80.6 | Confident | 4 Ų | 4 | 28.2 Ų | 28.2 | 3% | 0.025 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -125.7 | 3.3 | 176.1 | 50.1 | 0 | 0 | 0 | 0 | 113.9 | I304 R313 S330 T331 D332 I338 | I304-T334 HydrophobicContact CG1-CG2 4.18Å; I304-T334 PolarHBondContact O-OG1 2.99Å; R313-T334 VanDerWaalsContact NH1-CG2 3.26Å; S330-T334 WeakPolarHBondContact OG-CB 3.04Å; S330-T334 PolarHBondContact OG-O 3.04Å; S330-T334 PolarHBondContact OG-OG1 3.34Å; T331-T334 PolarHBondContact N-OG1 2.98Å; T331-T334 CarbonylContact O-C 3.35Å; T331-T334 PolarHBondContact O-N 2.77Å; T331-T334 PolarHBondContact O-OG1 3.13Å; T331-T334 VanDerWaalsContact O-OG1 3.08Å; D332-T334 PolarHBondContact O-N 3.33Å; T334-I338 WeakPolarHBondContact O-CD1 3.28Å; T334-I338 WeakPolarHBondContact O-CG1 3.45Å |
| 335 | S | 55 | Low | 80.7 | Confident | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.014 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -40.5 | 179.2 | 66.4 | 0 | 0 | 0 | 0 | 112.6 | S330 T331 D332 G337 I338 | S330-S335 PolarHBondContact OG-N 3Å; T331-S335 PolarHBondContact O-N 2.9Å; T331-S335 VanDerWaalsContact O-N 3.09Å; D332-S335 PolarHBondContact O-N 3.09Å; D332-S335 PolarHBondContact O-OG 3.39Å; S335-G337 PolarHBondContact O-N 2.87Å; S335-I338 PolarHBondContact O-N 2.87Å |
| 336 | R | 73.4 | Confident | 80.9 | Confident | 10 Ų | 10 | 22.7 Ų | 22.7 | 4% | 0.038 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 118.9 | 175.1 | -69.7 | 178.2 | 177.3 | -114.4 | 16.1 | 110.2 | T104 I107 E177 D179 H360 | T104-R336 HydrophobicContact CG2-CB 4.06Å; T104-R336 VanDerWaalsContact CG2-O 3.28Å; T104-R336 WeakPolarHBondContact CG2-O 3.4Å; T104-R336 PolarHBondContact OG1-O 2.79Å; I107-R336 HydrophobicContact CD1-CB 4.45Å; E177-R336 VanDerWaalsContact OE2-CD 3.24Å; E177-R336 WeakPolarHBondContact OE2-CD 3.44Å; E177-R336 VanDerWaalsContact OE2-CG 3.3Å; E177-R336 WeakPolarHBondContact OE2-CG 3.39Å; E177-R336 IonicContact OE2-CZ 3.01Å; E177-R336 IonicContact OE2-NE 2.66Å; E177-R336 IonicContact OE2-NH1 3.84Å; E177-R336 PolarHBondContact OE2-NH1 3.28Å; D179-R336 IonicContact OD1-NH1 2.79Å; D179-R336 PolarHBondContact OD1-NH1 2.77Å; D179-R336 IonicContact OD2-CZ 3.41Å; D179-R336 VanDerWaalsContact OD2-CZ 3.23Å; D179-R336 IonicContact OD2-NH1 3.14Å; D179-R336 PolarHBondContact OD2-NH1 3.33Å; D179-R336 IonicContact OD2-NH2 3.88Å; D179-R336 PolarHBondContact OD2-NH2 3.35Å; R336-H360 HydrophobicContact CG-CB 4.4Å; R336-H360 PolarHBondContact NH1-CD2 3.29Å; R336-H360 PolarHBondContact NH1-CE1 3.3Å; R336-H360 PolarHBondContact NH1-NE2 3.08Å; R336-H360 PolarHBondContact NH2-CD2 2.96Å; R336-H360 PolarHBondContact NH2-NE2 2.98Å |
| 337 | G | 65.1 | Low | 81 | Confident | 2 Ų | 2 | 18.7 Ų | 18.7 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.9 | 11.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q110 S335 | Q110-G337 PolarHBondContact NE2-O 2.73Å; Q110-G337 PolarHBondContact OE1-O 2.78Å; S335-G337 PolarHBondContact O-N 2.87Å |
| 338 | I | 77.1 | Confident | 81 | Confident | 3 Ų | 3 | 18.7 Ų | 18.7 | 2% | 0.015 | 10% | 0.097 | C | C | . | . | trans | -77.6 | 126.2 | 161.7 | -57.8 | 177.3 | 0 | 0 | 0 | 108.5 | L278 F280 M317 L320 L328 T334 S335 R364 | L278-I338 HydrophobicContact CD1-CB 4.3Å; L278-I338 HydrophobicContact CD1-CD1 4.47Å; L278-I338 HydrophobicContact CD1-CG2 3.64Å; L278-I338 HydrophobicContact CD2-CD1 4.41Å; L278-I338 HydrophobicContact CD2-CG2 3.95Å; L278-I338 HydrophobicContact CG-CG2 4.46Å; F280-I338 HydrophobicContact CE1-CD1 4.27Å; M317-I338 HydrophobicContact CE-CB 4.42Å; M317-I338 HydrophobicContact CE-CG2 4.18Å; M317-I338 HydrophobicContact SD-CG1 4.18Å; M317-I338 HydrophobicContact SD-CG2 4.45Å; L320-I338 HydrophobicContact CD2-CG2 4.04Å; L328-I338 HydrophobicContact CD2-CD1 4.14Å; T334-I338 WeakPolarHBondContact O-CD1 3.28Å; T334-I338 WeakPolarHBondContact O-CG1 3.45Å; S335-I338 PolarHBondContact O-N 2.87Å; I338-R364 VanDerWaalsContact O-CD 3.25Å; I338-R364 WeakPolarHBondContact O-CD 3.28Å; I338-R364 PolarHBondContact O-NH1 3.02Å; I338-R364 VanDerWaalsContact O-NH1 3.14Å | ||
| 339 | D | 75.5 | Confident | 81.1 | Confident | 37 Ų | 37 | 18.7 Ų | 18.7 | 20% | 0.198 | 10% | 0.097 | C | C | . | . | trans | -135.8 | 113.3 | 176.7 | -166.8 | -24.3 | 0 | 0 | 0 | 109 | K321 R367 | K321-D339 WeakPolarHBondContact CE-O 3.2Å; D339-R367 IonicContact OD1-CZ 3.62Å; D339-R367 IonicContact OD1-NE 2.88Å; D339-R367 IonicContact OD1-NH1 3.73Å; D339-R367 PolarHBondContact OD1-NH1 2.98Å; D339-R367 IonicContact OD1-NH2 2.82Å; D339-R367 PolarHBondContact OD1-NH2 2.85Å; D339-R367 VanDerWaalsContact OD1-NH2 3.14Å; D339-R367 IonicContact OD2-CZ 3.85Å; D339-R367 IonicContact OD2-NH1 3.42Å; D339-R367 PolarHBondContact OD2-NH1 3.49Å; D339-R367 VanDerWaalsContact OD2-NH1 3.07Å; D339-R367 IonicContact OD2-NH2 3.57Å; D339-R367 PolarHBondContact OD2-NH2 3.28Å | ||
| 340 | A | 78.6 | Confident | 81 | Confident | 7 Ų | 7 | 19 Ų | 19 | 6% | 0.058 | 10% | 0.098 | C | C | . | . | trans | -155.7 | 110 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | L320 K342 V343 | L320-A340 HydrophobicContact CD2-CB 3.57Å; L320-A340 HydrophobicContact CG-CB 3.94Å; A340-K342 PolarHBondContact O-N 3.22Å; A340-K342 VanDerWaalsContact O-N 3.12Å; A340-V343 HydrophobicContact CB-CG2 3.8Å; A340-V343 PolarHBondContact O-N 3.05Å; A340-V343 VanDerWaalsContact O-N 3.12Å | ||
| 341 | E | 77.6 | Confident | 81 | Confident | 64 Ų | 64 | 19.1 Ų | 19.1 | 30% | 0.299 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -24.4 | -179 | 178.1 | 173.3 | -128.5 | 0 | 0 | 114.4 | H10 V343 | H10-E341 IonicContact CE1-OE1 2.62Å; H10-E341 IonicContact CG-OE1 3.65Å; H10-E341 IonicContact ND1-OE1 2.68Å; H10-E341 PolarHBondContact ND1-OE1 3.17Å; E341-V343 VanDerWaalsContact C-N 3.34Å |
| 342 | K | 84.3 | Confident | 81.2 | Confident | 49 Ų | 49 | 18.3 Ų | 18.3 | 21% | 0.213 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -0.2 | -178.5 | -63.1 | -174.2 | -179.8 | -166.3 | 0 | 113.5 | N275 Q276 Y323 A340 N344 W416 | N275-K342 WeakPolarHBondContact CB-O 3.37Å; Q276-K342 HydrophobicContact CG-CB 4.24Å; Q276-K342 PolarHBondContact N-O 3.46Å; Y323-K342 HydrophobicContact CD2-CD 3.71Å; Y323-K342 HydrophobicContact CE2-CD 4.18Å; A340-K342 PolarHBondContact O-N 3.22Å; A340-K342 VanDerWaalsContact O-N 3.12Å; K342-N344 PolarHBondContact O-N 3.48Å; K342-W416 HydrophobicContact CD-CD2 4.46Å; K342-W416 HydrophobicContact CD-CZ2 4.2Å; K342-W416 HydrophobicContact CG-CH2 4.47Å; K342-W416 HydrophobicContact CG-CZ2 3.76Å |
| 343 | V | 89.5 | Confident | 82 | Confident | 6 Ų | 6 | 21.8 Ų | 21.8 | 4% | 0.036 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 109 | 172.6 | 173.2 | 0 | 0 | 0 | 0 | 109.9 | Q276 L278 L320 A340 E341 V346 A365 | Q276-V343 HydrophobicContact CB-CG2 3.92Å; Q276-V343 WeakPolarHBondContact O-CA 3.46Å; L278-V343 HydrophobicContact CD1-CG1 3.93Å; L278-V343 HydrophobicContact CD1-CG2 4.26Å; L278-V343 HydrophobicContact CD2-CG2 4.19Å; L278-V343 HydrophobicContact CG-CB 4.49Å; L278-V343 HydrophobicContact CG-CG1 3.77Å; L278-V343 HydrophobicContact CG-CG2 3.9Å; L320-V343 HydrophobicContact CD2-CG2 4.41Å; A340-V343 HydrophobicContact CB-CG2 3.8Å; A340-V343 PolarHBondContact O-N 3.05Å; A340-V343 VanDerWaalsContact O-N 3.12Å; E341-V343 VanDerWaalsContact C-N 3.34Å; V343-V346 HydrophobicContact CG1-CG2 4.46Å; V343-A365 HydrophobicContact CG1-CB 4.3Å |
| 344 | N | 90.9 | Very high | 83.3 | Confident | 20 Ų | 20 | 18.4 Ų | 18.4 | 11% | 0.107 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | -8.6 | 169.8 | 65.8 | -21.7 | 0 | 0 | 0 | 113.3 | N275 Q276 K342 G372 M373 M410 | N275-N344 PolarHBondContact N-OD1 3.2Å; Q276-N344 PolarHBondContact O-N 3.02Å; K342-N344 PolarHBondContact O-N 3.48Å; N344-G372 CarbonylContact O-C 3.54Å; N344-G372 VanDerWaalsContact O-CA 3.24Å; N344-G372 WeakPolarHBondContact O-CA 3.4Å; N344-M373 PolarHBondContact O-N 3.37Å; N344-M410 HydrophobicContact CB-CE 4.11Å; N344-M410 WeakPolarHBondContact ND2-CE 3.31Å; N344-M410 WeakPolarHBondContact O-CE 3.31Å |
| 345 | L | 92.7 | Very high | 84.7 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 125.1 | -179.5 | -179.5 | 53.4 | 0 | 0 | 0 | 111.8 | F269 F274 Q276 A277 L278 I347 M373 | F269-L345 HydrophobicContact CD1-CD2 4.12Å; F269-L345 HydrophobicContact CE1-CD2 3.91Å; F274-L345 HydrophobicContact CB-CB 3.95Å; F274-L345 HydrophobicContact CB-CD2 3.78Å; F274-L345 HydrophobicContact CD1-CD2 3.92Å; F274-L345 HydrophobicContact CD2-CD2 4.19Å; F274-L345 HydrophobicContact CG-CB 4.42Å; F274-L345 HydrophobicContact CG-CD2 3.7Å; Q276-L345 PolarHBondContact O-N 3.08Å; A277-L345 CarbonylContact C-O 3.55Å; A277-L345 VanDerWaalsContact CA-O 3.28Å; A277-L345 WeakPolarHBondContact CA-O 3.41Å; A277-L345 HydrophobicContact CB-CB 4.13Å; A277-L345 HydrophobicContact CB-CD2 4.15Å; A277-L345 HydrophobicContact CB-CG 4.11Å; L278-L345 PolarHBondContact N-O 3.47Å; L345-I347 HydrophobicContact CD1-CD1 4.39Å; L345-I347 HydrophobicContact CD1-CG1 4.01Å; L345-I347 HydrophobicContact CD2-CD1 4.14Å; L345-I347 HydrophobicContact CG-CD1 4.15Å; L345-I347 HydrophobicContact CG-CG1 4.07Å; L345-M373 WeakPolarHBondContact CA-O 3.42Å; L345-M373 HydrophobicContact CD1-CB 4.45Å; L345-M373 HydrophobicContact CD1-CE 3.49Å; L345-M373 VanDerWaalsContact CD1-CE 3.49Å |
| 346 | V | 93.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 137.5 | 168.2 | 164.6 | 0 | 0 | 0 | 0 | 109.6 | L278 F280 V343 I362 R364 A365 M373 A374 V375 | L278-V346 HydrophobicContact CB-CG2 4.34Å; L278-V346 CarbonylContact O-C 3.54Å; L278-V346 WeakPolarHBondContact O-CA 3.44Å; F280-V346 HydrophobicContact CD2-CG1 3.99Å; F280-V346 HydrophobicContact CE2-CG1 3.75Å; F280-V346 HydrophobicContact CE2-CG2 4.48Å; V343-V346 HydrophobicContact CG1-CG2 4.46Å; V346-I362 HydrophobicContact CG1-CG2 4.4Å; V346-R364 HydrophobicContact CG2-CB 4.23Å; V346-A365 HydrophobicContact CB-CB 4.42Å; V346-A365 HydrophobicContact CG2-CB 3.75Å; V346-M373 PolarHBondContact N-O 3.09Å; V346-A374 HydrophobicContact CB-CB 4.38Å; V346-A374 CarbonylContact O-C 3.59Å; V346-A374 VanDerWaalsContact O-CA 3.29Å; V346-A374 WeakPolarHBondContact O-CA 3.35Å; V346-V375 PolarHBondContact O-N 2.9Å |
| 347 | I | 95.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 120 | 177.3 | -54.3 | 173.2 | 0 | 0 | 0 | 110 | L265 L268 F269 L278 V279 F280 L345 L349 V375 Y377 | L265-I347 HydrophobicContact CD1-CD1 3.32Å; L265-I347 HydrophobicContact CD1-CG2 4.22Å; L268-I347 HydrophobicContact CD2-CD1 3.71Å; L268-I347 HydrophobicContact CD2-CG1 4.21Å; F269-I347 HydrophobicContact CD1-CD1 4.3Å; F269-I347 HydrophobicContact CE1-CD1 3.52Å; F269-I347 HydrophobicContact CZ-CD1 3.92Å; L278-I347 PolarHBondContact O-N 2.89Å; V279-I347 CarbonylContact C-O 3.59Å; V279-I347 WeakPolarHBondContact CA-O 3.44Å; V279-I347 HydrophobicContact CG1-CB 4.45Å; V279-I347 HydrophobicContact CG2-CB 4.35Å; V279-I347 HydrophobicContact CG2-CD1 4.47Å; F280-I347 PolarHBondContact N-O 3.34Å; L345-I347 HydrophobicContact CD1-CD1 4.39Å; L345-I347 HydrophobicContact CD1-CG1 4.01Å; L345-I347 HydrophobicContact CD2-CD1 4.14Å; L345-I347 HydrophobicContact CG-CD1 4.15Å; L345-I347 HydrophobicContact CG-CG1 4.07Å; I347-L349 PolarHBondContact O-N 2.98Å; I347-V375 CarbonylContact C-O 3.57Å; I347-V375 VanDerWaalsContact CA-O 3.28Å; I347-V375 WeakPolarHBondContact CA-O 3.47Å; I347-Y377 HydrophobicContact CG2-CE2 4.44Å |
| 348 | N | 95.5 | Very high | 88 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 99.5 | 166.7 | -66.8 | -48.5 | 0 | 0 | 0 | 108.1 | R361 V375 T376 Y377 | N348-R361 WeakPolarHBondContact OD1-CD 3.29Å; N348-R361 PolarHBondContact OD1-NH1 2.85Å; N348-V375 PolarHBondContact N-O 3.31Å; N348-T376 HydrophobicContact CB-CG2 3.65Å; N348-T376 PolarHBondContact ND2-OG1 3.29Å; N348-Y377 PolarHBondContact O-N 3.26Å |
| 349 | L | 94.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -68.5 | -40.9 | 173.9 | -164.1 | 85.2 | 0 | 0 | 0 | 110.1 | F258 K261 L265 V279 F280 L290 I347 Y377 | F258-L349 HydrophobicContact CD2-CD2 4.1Å; F258-L349 HydrophobicContact CE2-CD2 3.74Å; K261-L349 HydrophobicContact CB-CD1 4.03Å; K261-L349 HydrophobicContact CB-CG 4.26Å; K261-L349 VanDerWaalsContact CD-O 3.3Å; K261-L349 WeakPolarHBondContact CD-O 3.45Å; K261-L349 WeakPolarHBondContact CE-O 3.4Å; K261-L349 PolarHBondContact NZ-O 3.4Å; L265-L349 HydrophobicContact CD2-CD1 4.14Å; V279-L349 HydrophobicContact CG1-CB 4.1Å; F280-L349 VanDerWaalsContact O-CB 3.3Å; F280-L349 WeakPolarHBondContact O-CB 3.24Å; F280-L349 PolarHBondContact O-N 3.03Å; L290-L349 HydrophobicContact CD2-CD2 4.19Å; I347-L349 PolarHBondContact O-N 2.98Å; L349-Y377 HydrophobicContact CD1-CD2 3.99Å; L349-Y377 HydrophobicContact CD1-CE2 4.21Å |
| 350 | D | 92.6 | Very high | 89 | Confident | 5 Ų | 5 | 20 Ų | 20 | 3% | 0.027 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -113 | 138.9 | 171 | -61 | -47.8 | 0 | 0 | 0 | 109.5 | K261 F280 S281 N282 R286 R361 | K261-D350 IonicContact NZ-OD1 2.71Å; F280-D350 PolarHBondContact O-N 2.75Å; S281-D350 WeakPolarHBondContact CA-OD2 3.34Å; S281-D350 WeakPolarHBondContact CB-OD2 3.11Å; S281-D350 PolarHBondContact OG-OD2 2.95Å; N282-D350 HydrophobicContact CB-CB 4.08Å; N282-D350 VanDerWaalsContact CG-CB 3.46Å; N282-D350 PolarHBondContact N-OD2 3.47Å; N282-D350 WeakPolarHBondContact OD1-CB 3.32Å; R286-D350 IonicContact CZ-OD1 2.69Å; R286-D350 IonicContact NH1-OD1 3.22Å; R286-D350 PolarHBondContact NH1-OD1 2.75Å; R286-D350 IonicContact NH1-OD2 3.89Å; R286-D350 PolarHBondContact NH1-OD2 2.89Å; R286-D350 IonicContact NH2-OD1 3.61Å; D350-R361 PolarHBondContact O-NH1 2.94Å |
| 351 | V | 92.8 | Very high | 89.5 | Confident | 4 Ų | 4 | 19.7 Ų | 19.7 | 2% | 0.024 | 9% | 0.094 | C | C | . | . | trans | -65.8 | 134.1 | 178.2 | -171.3 | 0 | 0 | 0 | 0 | 109.2 | N282 T376 Y377 C378 E383 K386 M387 I390 | N282-V351 PolarHBondContact ND2-O 3.38Å; V351-T376 HydrophobicContact CG2-CG2 4.12Å; V351-Y377 WeakPolarHBondContact CG2-O 3.28Å; V351-C378 HydrophobicContact CG2-CB 3.88Å; V351-E383 HydrophobicContact CG2-CB 3.84Å; V351-E383 HydrophobicContact CG2-CG 4.05Å; V351-K386 HydrophobicContact CG1-CB 4.28Å; V351-M387 HydrophobicContact CG1-CB 4.43Å; V351-M387 HydrophobicContact CG1-SD 4.2Å; V351-I390 HydrophobicContact CG1-CD1 4.37Å | ||
| 352 | P | 91.1 | Very high | 90 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | trans | -65.3 | 160.4 | 172.5 | 27.8 | -33.4 | 0 | 0 | 0 | 111.1 | T357 Y358 I390 | P352-T357 HydrophobicContact CB-CG2 3.98Å; P352-Y358 HydrophobicContact CG-CD2 3.98Å; P352-Y358 HydrophobicContact CG-CG 4.34Å; P352-I390 HydrophobicContact CG-CD1 4.14Å | ||
| 353 | Q | 87.3 | Confident | 90.1 | Very high | 123 Ų | 123 | 14.5 Ų | 14.5 | 58% | 0.575 | 7% | 0.071 | S | C | * | . | S | Bend | trans | -79 | -27.4 | -179.5 | -53.8 | -57.7 | -24.7 | 0 | 0 | 112.6 | ||
| 354 | D | 87.3 | Confident | 89.9 | Confident | 50 Ų | 50 | 14.8 Ų | 14.8 | 27% | 0.267 | 7% | 0.071 | S | C | . | . | S | Bend | trans | -133.4 | 158.5 | -168.2 | 60 | -69.1 | 0 | 0 | 0 | 111.7 | T357 Y358 | D354-T357 VanDerWaalsContact CG-OG1 3.26Å; D354-T357 VanDerWaalsContact OD1-CB 3.31Å; D354-T357 WeakPolarHBondContact OD1-CB 3.28Å; D354-T357 PolarHBondContact OD1-OG1 2.77Å; D354-T357 VanDerWaalsContact OD1-OG1 3.1Å; D354-T357 WeakPolarHBondContact OD2-CA 3.36Å; D354-T357 WeakPolarHBondContact OD2-CB 3.5Å; D354-T357 PolarHBondContact OD2-N 3.2Å; D354-T357 PolarHBondContact OD2-OG1 3.43Å; D354-Y358 PolarHBondContact O-N 3.18Å |
| 355 | W | 87.9 | Confident | 89.7 | Confident | 35 Ų | 35 | 14 Ų | 14 | 13% | 0.133 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -80.8 | -28.2 | -173.7 | 75.2 | -84.5 | 0 | 0 | 0 | 111.7 | T210 M236 Y358 M359 I390 K393 C394 | T210-W355 HydrophobicContact CG2-CE3 4.45Å; T210-W355 HydrophobicContact CG2-CH2 3.64Å; T210-W355 HydrophobicContact CG2-CZ3 3.59Å; M236-W355 HydrophobicContact CE-CH2 3.97Å; M236-W355 HydrophobicContact CE-CZ3 3.78Å; W355-Y358 WeakPolarHBondContact O-CB 3.35Å; W355-Y358 PolarHBondContact O-N 3.48Å; W355-M359 HydrophobicContact CE3-CG 4Å; W355-M359 HydrophobicContact CZ3-CG 4.24Å; W355-M359 WeakPolarHBondContact O-CG 3.42Å; W355-M359 PolarHBondContact O-N 3.28Å; W355-I390 HydrophobicContact CB-CB 4.44Å; W355-I390 HydrophobicContact CB-CG1 4.2Å; W355-I390 HydrophobicContact CB-CG2 4.07Å; W355-K393 HydrophobicContact CB-CB 4.45Å; W355-K393 HydrophobicContact CG-CB 4.26Å; W355-K393 HydrophobicContact CG-CD 4.12Å; W355-C394 VanDerWaalsContact CE3-SG 3.54Å |
| 356 | E | 86.1 | Confident | 88.8 | Confident | 36 Ų | 36 | 14.5 Ų | 14.5 | 17% | 0.168 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60.7 | -53.3 | 173.7 | -61.2 | 84.1 | 168.8 | 0 | 0 | 109.8 | T210 Y358 M359 H360 | T210-E356 HydrophobicContact CG2-CB 4.28Å; T210-E356 HydrophobicContact CG2-CG 4.22Å; E356-Y358 VanDerWaalsContact C-N 3.32Å; E356-Y358 PolarHBondContact O-N 3.22Å; E356-M359 PolarHBondContact O-N 2.95Å; E356-H360 WeakPolarHBondContact O-CB 3.29Å; E356-H360 PolarHBondContact O-CD2 3.26Å; E356-H360 PolarHBondContact O-N 3.41Å |
| 357 | T | 87.9 | Confident | 88 | Confident | 10 Ų | 10 | 16.4 Ų | 16.4 | 6% | 0.061 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.4 | -36.8 | 176 | -63.7 | 0 | 0 | 0 | 0 | 111.9 | D332 P352 D354 H360 R361 | D332-T357 HydrophobicContact CB-CG2 4.48Å; D332-T357 WeakPolarHBondContact OD1-CG2 3.48Å; P352-T357 HydrophobicContact CB-CG2 3.98Å; D354-T357 VanDerWaalsContact CG-OG1 3.26Å; D354-T357 VanDerWaalsContact OD1-CB 3.31Å; D354-T357 WeakPolarHBondContact OD1-CB 3.28Å; D354-T357 PolarHBondContact OD1-OG1 2.77Å; D354-T357 VanDerWaalsContact OD1-OG1 3.1Å; D354-T357 WeakPolarHBondContact OD2-CA 3.36Å; D354-T357 WeakPolarHBondContact OD2-CB 3.5Å; D354-T357 PolarHBondContact OD2-N 3.2Å; D354-T357 PolarHBondContact OD2-OG1 3.43Å; T357-H360 PolarHBondContact O-N 2.92Å; T357-R361 HydrophobicContact CG2-CG 4.29Å; T357-R361 WeakPolarHBondContact O-CB 3.38Å; T357-R361 VanDerWaalsContact O-CG 3.3Å; T357-R361 WeakPolarHBondContact O-CG 3.3Å; T357-R361 PolarHBondContact O-N 3.35Å |
| 358 | Y | 89.9 | Confident | 87 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -55.2 | -56.4 | 170.5 | 179.2 | -97.6 | 0 | 0 | 0 | 111.3 | Q243 P352 D354 W355 E356 H360 R361 I362 M387 I390 L396 | Q243-Y358 PolarHBondContact OE1-OH 3.35Å; P352-Y358 HydrophobicContact CG-CD2 3.98Å; P352-Y358 HydrophobicContact CG-CG 4.34Å; D354-Y358 PolarHBondContact O-N 3.18Å; W355-Y358 WeakPolarHBondContact O-CB 3.35Å; W355-Y358 PolarHBondContact O-N 3.48Å; E356-Y358 VanDerWaalsContact C-N 3.32Å; E356-Y358 PolarHBondContact O-N 3.22Å; Y358-H360 VanDerWaalsContact C-N 3.29Å; Y358-H360 PolarHBondContact O-N 2.88Å; Y358-R361 PolarHBondContact O-N 3.05Å; Y358-R361 VanDerWaalsContact O-N 3.12Å; Y358-I362 HydrophobicContact CD1-CD1 4.05Å; Y358-I362 HydrophobicContact CD1-CG1 4.24Å; Y358-I362 HydrophobicContact CD2-CG2 4.26Å; Y358-I362 HydrophobicContact CE1-CD1 3.4Å; Y358-I362 VanDerWaalsContact CE1-CD1 3.4Å; Y358-I362 HydrophobicContact CE1-CG1 4Å; Y358-I362 HydrophobicContact CE1-CG2 4.17Å; Y358-I362 HydrophobicContact CE2-CG2 3.84Å; Y358-I362 WeakPolarHBondContact O-CG1 3.38Å; Y358-I362 PolarHBondContact O-N 3.44Å; Y358-M387 HydrophobicContact CD2-CE 3.8Å; Y358-M387 HydrophobicContact CD2-SD 4.5Å; Y358-M387 HydrophobicContact CE1-CE 4.37Å; Y358-M387 HydrophobicContact CE2-CE 3.38Å; Y358-M387 HydrophobicContact CE2-SD 4.13Å; Y358-M387 HydrophobicContact CG-CE 4.45Å; Y358-I390 HydrophobicContact CD1-CG2 3.76Å; Y358-I390 HydrophobicContact CD2-CG2 4.27Å; Y358-I390 HydrophobicContact CE1-CG2 4.42Å; Y358-I390 HydrophobicContact CG-CG2 3.68Å; Y358-L396 HydrophobicContact CD1-CD1 4.28Å; Y358-L396 HydrophobicContact CE1-CD1 3.63Å |
| 359 | M | 86.5 | Confident | 85.9 | Confident | 11 Ų | 11 | 17.3 Ų | 17.3 | 5% | 0.054 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -57.9 | -40.1 | 179.2 | -70 | -61.4 | -68.7 | 0 | 0 | 112.6 | M236 L238 W355 E356 I362 G363 L396 | M236-M359 WeakPolarHBondContact O-CE 3.47Å; L238-M359 HydrophobicContact CD1-CE 4.45Å; L238-M359 HydrophobicContact CD2-CE 3.98Å; L238-M359 HydrophobicContact CG-CE 3.86Å; W355-M359 HydrophobicContact CE3-CG 4Å; W355-M359 HydrophobicContact CZ3-CG 4.24Å; W355-M359 WeakPolarHBondContact O-CG 3.42Å; W355-M359 PolarHBondContact O-N 3.28Å; E356-M359 PolarHBondContact O-N 2.95Å; M359-I362 HydrophobicContact SD-CD1 4.13Å; M359-G363 PolarHBondContact O-N 2.94Å; M359-L396 HydrophobicContact SD-CD1 4.36Å |
| 360 | H | 85.9 | Confident | 85.2 | Confident | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -72.1 | -25.9 | 178.2 | -78.6 | -67.6 | 0 | 0 | 0 | 114.6 | E177 D179 R336 E356 T357 Y358 R364 | E177-H360 IonicContact OE2-CE1 2.75Å; E177-H360 IonicContact OE2-ND1 2.64Å; D179-H360 IonicContact OD1-NE2 2.74Å; D179-H360 IonicContact OD2-CD2 3.19Å; D179-H360 IonicContact OD2-CE1 2.61Å; D179-H360 IonicContact OD2-NE2 2.8Å; D179-H360 PolarHBondContact OD2-NE2 3.47Å; R336-H360 HydrophobicContact CG-CB 4.4Å; R336-H360 PolarHBondContact NH1-CD2 3.29Å; R336-H360 PolarHBondContact NH1-CE1 3.3Å; R336-H360 PolarHBondContact NH1-NE2 3.08Å; R336-H360 PolarHBondContact NH2-CD2 2.96Å; R336-H360 PolarHBondContact NH2-NE2 2.98Å; E356-H360 WeakPolarHBondContact O-CB 3.29Å; E356-H360 PolarHBondContact O-CD2 3.26Å; E356-H360 PolarHBondContact O-N 3.41Å; T357-H360 PolarHBondContact O-N 2.92Å; Y358-H360 VanDerWaalsContact C-N 3.29Å; Y358-H360 PolarHBondContact O-N 2.88Å; H360-R364 WeakPolarHBondContact O-CG 3.44Å; H360-R364 PolarHBondContact O-NE 2.91Å |
| 361 | R | 89.3 | Confident | 84.8 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -76.8 | -50.7 | 169.7 | -73.8 | -176.5 | -173 | -174.7 | 3.5 | 111.4 | F280 N282 D332 N348 D350 T357 Y358 G363 R364 | F280-R361 HydrophobicContact CD1-CG 4.27Å; F280-R361 HydrophobicContact CD2-CB 3.74Å; F280-R361 HydrophobicContact CD2-CG 3.77Å; F280-R361 HydrophobicContact CE1-CG 4.47Å; F280-R361 HydrophobicContact CE2-CB 3.67Å; F280-R361 HydrophobicContact CE2-CG 3.96Å; F280-R361 HydrophobicContact CG-CB 4.42Å; F280-R361 HydrophobicContact CG-CG 3.92Å; F280-R361 HydrophobicContact CZ-CB 4.32Å; F280-R361 HydrophobicContact CZ-CG 4.32Å; N282-R361 PolarHBondContact OD1-NH2 3.14Å; D332-R361 IonicContact OD1-CZ 3.13Å; D332-R361 IonicContact OD1-NE 3.71Å; D332-R361 PolarHBondContact OD1-NE 3.46Å; D332-R361 IonicContact OD1-NH2 2.72Å; D332-R361 PolarHBondContact OD1-NH2 2.75Å; D332-R361 IonicContact OD2-CZ 3.82Å; D332-R361 IonicContact OD2-NH2 2.72Å; D332-R361 PolarHBondContact OD2-NH2 2.84Å; N348-R361 WeakPolarHBondContact OD1-CD 3.29Å; N348-R361 PolarHBondContact OD1-NH1 2.85Å; D350-R361 PolarHBondContact O-NH1 2.94Å; T357-R361 HydrophobicContact CG2-CG 4.29Å; T357-R361 WeakPolarHBondContact O-CB 3.38Å; T357-R361 VanDerWaalsContact O-CG 3.3Å; T357-R361 WeakPolarHBondContact O-CG 3.3Å; T357-R361 PolarHBondContact O-N 3.35Å; Y358-R361 PolarHBondContact O-N 3.05Å; Y358-R361 VanDerWaalsContact O-N 3.12Å; R361-G363 PolarHBondContact O-N 3.47Å; R361-R364 WeakPolarHBondContact O-CB 3.37Å; R361-R364 VanDerWaalsContact O-CG 3.29Å; R361-R364 WeakPolarHBondContact O-CG 3.41Å; R361-R364 PolarHBondContact O-N 3.39Å |
| 362 | I | 88.6 | Confident | 84.7 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -70.2 | -33.8 | -173.9 | 65.2 | 155 | 0 | 0 | 0 | 112.4 | L238 L241 Q243 V346 Y358 M359 R364 A365 A374 | L238-I362 HydrophobicContact CD1-CD1 3.85Å; L238-I362 HydrophobicContact CD1-CG1 3.77Å; L238-I362 HydrophobicContact CG-CD1 4.46Å; L241-I362 HydrophobicContact CD2-CB 3.89Å; L241-I362 HydrophobicContact CD2-CD1 3.97Å; L241-I362 HydrophobicContact CD2-CG1 4.21Å; L241-I362 WeakPolarHBondContact CD2-O 3.16Å; Q243-I362 HydrophobicContact CG-CD1 4.33Å; Q243-I362 VanDerWaalsContact OE1-CD1 3.26Å; V346-I362 HydrophobicContact CG1-CG2 4.4Å; Y358-I362 HydrophobicContact CD1-CD1 4.05Å; Y358-I362 HydrophobicContact CD1-CG1 4.24Å; Y358-I362 HydrophobicContact CD2-CG2 4.26Å; Y358-I362 HydrophobicContact CE1-CD1 3.4Å; Y358-I362 VanDerWaalsContact CE1-CD1 3.4Å; Y358-I362 HydrophobicContact CE1-CG1 4Å; Y358-I362 HydrophobicContact CE1-CG2 4.17Å; Y358-I362 HydrophobicContact CE2-CG2 3.84Å; Y358-I362 WeakPolarHBondContact O-CG1 3.38Å; Y358-I362 PolarHBondContact O-N 3.44Å; M359-I362 HydrophobicContact SD-CD1 4.13Å; I362-R364 PolarHBondContact O-N 3.37Å; I362-A365 PolarHBondContact O-N 2.8Å; I362-A374 HydrophobicContact CB-CB 3.95Å; I362-A374 HydrophobicContact CG2-CB 3.75Å |
| 363 | G | 85.5 | Confident | 84.7 | Confident | 3 Ų | 3 | 20.6 Ų | 20.6 | 3% | 0.031 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 20.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | L238 M359 R361 | L238-G363 VanDerWaalsContact CD1-CA 3.43Å; M359-G363 PolarHBondContact O-N 2.94Å; R361-G363 PolarHBondContact O-N 3.47Å |
| 364 | R | 86.6 | Confident | 84.9 | Confident | 12 Ų | 12 | 14.8 Ų | 14.8 | 5% | 0.045 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -19.9 | 168.5 | -54.5 | -68.6 | 157.8 | -178.4 | -8.8 | 112.1 | E177 L278 F280 I338 V346 H360 R361 I362 | E177-R364 IonicContact OE1-CZ 2.7Å; E177-R364 IonicContact OE1-NH1 2.63Å; E177-R364 IonicContact OE1-NH2 2.69Å; E177-R364 PolarHBondContact OE1-NH2 2.66Å; E177-R364 IonicContact OE2-NH2 3.81Å; L278-R364 HydrophobicContact CD1-CB 3.58Å; L278-R364 HydrophobicContact CD1-CG 4.34Å; F280-R364 HydrophobicContact CZ-CG 4.44Å; I338-R364 VanDerWaalsContact O-CD 3.25Å; I338-R364 WeakPolarHBondContact O-CD 3.28Å; I338-R364 PolarHBondContact O-NH1 3.02Å; I338-R364 VanDerWaalsContact O-NH1 3.14Å; V346-R364 HydrophobicContact CG2-CB 4.23Å; H360-R364 WeakPolarHBondContact O-CG 3.44Å; H360-R364 PolarHBondContact O-NE 2.91Å; R361-R364 WeakPolarHBondContact O-CB 3.37Å; R361-R364 VanDerWaalsContact O-CG 3.29Å; R361-R364 WeakPolarHBondContact O-CG 3.41Å; R361-R364 PolarHBondContact O-N 3.39Å; I362-R364 PolarHBondContact O-N 3.37Å |
| 365 | A | 85.2 | Confident | 85.3 | Confident | 4 Ų | 4 | 12.4 Ų | 12.4 | 3% | 0.033 | 6% | 0.062 | C | C | . | . | S | Bend | trans | -95.3 | 167 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | L241 V343 V346 I362 R367 | L241-A365 HydrophobicContact CD1-CB 3.71Å; V343-A365 HydrophobicContact CG1-CB 4.3Å; V346-A365 HydrophobicContact CB-CB 4.42Å; V346-A365 HydrophobicContact CG2-CB 3.75Å; I362-A365 PolarHBondContact O-N 2.8Å; A365-R367 PolarHBondContact O-N 3.23Å |
| 366 | G | 74.6 | Confident | 85.6 | Confident | 11 Ų | 11 | 10.8 Ų | 10.8 | 11% | 0.113 | 6% | 0.056 | C | C | . | . | S | Bend | trans | 66.6 | 21.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | G369 T370 | G366-G369 PolarHBondContact O-N 3.34Å; G366-T370 CarbonylContact C-O 3.58Å; G366-T370 WeakPolarHBondContact CA-O 3.44Å; G366-T370 WeakPolarHBondContact CA-OG1 3.43Å; G366-T370 PolarHBondContact O-N 3.49Å |
| 367 | R | 77.5 | Confident | 86.1 | Confident | 39 Ų | 39 | 9.1 Ų | 9.1 | 15% | 0.147 | 5% | 0.048 | C | C | . | . | G | 310 helix | trans | -60.8 | 142.9 | -174.6 | -73.6 | -174.2 | 53.5 | 134.5 | -4.6 | 112.3 | D339 A365 G369 T370 | D339-R367 IonicContact OD1-CZ 3.62Å; D339-R367 IonicContact OD1-NE 2.88Å; D339-R367 IonicContact OD1-NH1 3.73Å; D339-R367 PolarHBondContact OD1-NH1 2.98Å; D339-R367 IonicContact OD1-NH2 2.82Å; D339-R367 PolarHBondContact OD1-NH2 2.85Å; D339-R367 VanDerWaalsContact OD1-NH2 3.14Å; D339-R367 IonicContact OD2-CZ 3.85Å; D339-R367 IonicContact OD2-NH1 3.42Å; D339-R367 PolarHBondContact OD2-NH1 3.49Å; D339-R367 VanDerWaalsContact OD2-NH1 3.07Å; D339-R367 IonicContact OD2-NH2 3.57Å; D339-R367 PolarHBondContact OD2-NH2 3.28Å; A365-R367 PolarHBondContact O-N 3.23Å; R367-G369 PolarHBondContact O-N 2.82Å; R367-T370 PolarHBondContact N-OG1 2.63Å; R367-T370 WeakPolarHBondContact O-CG2 3.48Å; R367-T370 PolarHBondContact O-N 2.94Å; R367-T370 PolarHBondContact O-OG1 2.72Å |
| 368 | F | 74.1 | Confident | 86.3 | Confident | 15 Ų | 15 | 8.6 Ų | 8.6 | 7% | 0.066 | 5% | 0.045 | C | C | . | . | G | 310 helix | trans | 47.9 | 42.2 | -176.6 | -151.6 | -103 | 0 | 0 | 0 | 112.7 | H10 I12 R17 V21 G74 T370 | H10-F368 HydrophobicContact CB-CB 4.12Å; H10-F368 HydrophobicContact CB-CD1 3.87Å; H10-F368 HydrophobicContact CB-CG 4.13Å; H10-F368 WeakPolarHBondContact CD2-CB 2.94Å; H10-F368 AromaticContact CD2-CG 3.78Å; I12-F368 HydrophobicContact CD1-CE1 4.23Å; I12-F368 HydrophobicContact CG1-CE1 4.12Å; R17-F368 PolarHBondContact NH1-O 3.47Å; V21-F368 HydrophobicContact CG1-CD1 3.55Å; V21-F368 HydrophobicContact CG1-CD2 3.77Å; V21-F368 HydrophobicContact CG1-CE1 3.43Å; V21-F368 VanDerWaalsContact CG1-CE1 3.43Å; V21-F368 HydrophobicContact CG1-CE2 3.66Å; V21-F368 HydrophobicContact CG1-CG 3.71Å; V21-F368 HydrophobicContact CG1-CZ 3.49Å; V21-F368 VanDerWaalsContact CG1-CZ 3.49Å; G74-F368 VanDerWaalsContact O-CA 3.23Å; G74-F368 WeakPolarHBondContact O-CA 3.3Å; G74-F368 WeakPolarHBondContact O-CD2 3.49Å; G74-F368 PolarHBondContact O-N 3.04Å; F368-T370 PolarHBondContact O-N 2.98Å |
| 369 | G | 72 | Confident | 86.4 | Confident | 5 Ų | 5 | 9.1 Ų | 9.1 | 5% | 0.052 | 5% | 0.048 | C | C | . | . | G | 310 helix | trans | 74 | 18.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | R17 T18 G366 R367 | R17-G369 CarbonylContact C-O 3.53Å; R17-G369 VanDerWaalsContact CA-O 3.31Å; R17-G369 WeakPolarHBondContact CA-O 3.19Å; T18-G369 PolarHBondContact N-O 3.32Å; T18-G369 VanDerWaalsContact N-O 3.11Å; T18-G369 WeakPolarHBondContact OG1-CA 3.3Å; G366-G369 PolarHBondContact O-N 3.34Å; R367-G369 PolarHBondContact O-N 2.82Å |
| 370 | T | 81.2 | Confident | 86.6 | Confident | 10 Ų | 10 | 14.2 Ų | 14.2 | 6% | 0.061 | 7% | 0.071 | C | C | . | . | trans | -71.4 | 157.1 | 169.8 | 48.6 | 0 | 0 | 0 | 0 | 111.3 | G366 R367 F368 | G366-T370 CarbonylContact C-O 3.58Å; G366-T370 WeakPolarHBondContact CA-O 3.44Å; G366-T370 WeakPolarHBondContact CA-OG1 3.43Å; G366-T370 PolarHBondContact O-N 3.49Å; R367-T370 PolarHBondContact N-OG1 2.63Å; R367-T370 WeakPolarHBondContact O-CG2 3.48Å; R367-T370 PolarHBondContact O-N 2.94Å; R367-T370 PolarHBondContact O-OG1 2.72Å; F368-T370 PolarHBondContact O-N 2.98Å | ||
| 371 | Q | 84.6 | Confident | 86.7 | Confident | 67 Ų | 67 | 15.5 Ų | 15.5 | 31% | 0.313 | 9% | 0.085 | S | C | . | . | trans | -70.3 | 149.3 | 168.8 | -64.7 | -156.1 | 54.7 | 0 | 0 | 111.4 | G240 E412 | G240-Q371 WeakPolarHBondContact O-CA 3.5Å; Q371-E412 PolarHBondContact NE2-OE1 3.04Å | ||
| 372 | G | 88.9 | Confident | 86.7 | Confident | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.7 | 179.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G240 L241 K242 N344 | G240-G372 PolarHBondContact O-N 2.81Å; G240-G372 VanDerWaalsContact O-N 3.07Å; L241-G372 WeakPolarHBondContact CA-O 3.37Å; K242-G372 PolarHBondContact N-O 3.39Å; N344-G372 CarbonylContact O-C 3.54Å; N344-G372 VanDerWaalsContact O-CA 3.24Å; N344-G372 WeakPolarHBondContact O-CA 3.4Å |
| 373 | M | 90.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 138.5 | 178 | -168.5 | -176.6 | 65.9 | 0 | 0 | 111.6 | K242 Y244 I272 N344 L345 V346 V375 L409 M410 | K242-M373 HydrophobicContact CB-CG 4.3Å; K242-M373 CarbonylContact O-C 3.55Å; K242-M373 WeakPolarHBondContact O-CA 3.17Å; K242-M373 WeakPolarHBondContact O-CG 3.05Å; Y244-M373 HydrophobicContact CD2-CG 3.69Å; Y244-M373 HydrophobicContact CD2-SD 3.63Å; Y244-M373 HydrophobicContact CE2-CG 3.83Å; Y244-M373 HydrophobicContact CE2-SD 3.65Å; I272-M373 HydrophobicContact CD1-CE 3.36Å; I272-M373 HydrophobicContact CD1-SD 4.11Å; I272-M373 HydrophobicContact CG2-CE 4.38Å; N344-M373 PolarHBondContact O-N 3.37Å; L345-M373 WeakPolarHBondContact CA-O 3.42Å; L345-M373 HydrophobicContact CD1-CB 4.45Å; L345-M373 HydrophobicContact CD1-CE 3.49Å; L345-M373 VanDerWaalsContact CD1-CE 3.49Å; V346-M373 PolarHBondContact N-O 3.09Å; M373-V375 HydrophobicContact CE-CG2 3.46Å; M373-V375 VanDerWaalsContact CE-CG2 3.46Å; M373-V375 HydrophobicContact CG-CG2 4.2Å; M373-V375 HydrophobicContact SD-CG2 4.04Å; M373-L409 HydrophobicContact SD-CD2 4.24Å; M373-M410 HydrophobicContact CB-CE 4.01Å; M373-M410 HydrophobicContact CB-SD 3.78Å |
| 374 | A | 92.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 131.3 | 169 | 0 | 0 | 0 | 0 | 0 | 110.2 | L241 K242 Q243 Y244 V346 I362 | L241-A374 HydrophobicContact CD1-CB 4.5Å; L241-A374 HydrophobicContact CD2-CB 4.08Å; L241-A374 HydrophobicContact CG-CB 4.34Å; K242-A374 PolarHBondContact O-N 2.88Å; Q243-A374 HydrophobicContact CG-CB 4.44Å; Y244-A374 PolarHBondContact N-O 3.12Å; V346-A374 HydrophobicContact CB-CB 4.38Å; V346-A374 CarbonylContact O-C 3.59Å; V346-A374 VanDerWaalsContact O-CA 3.29Å; V346-A374 WeakPolarHBondContact O-CA 3.35Å; I362-A374 HydrophobicContact CB-CB 3.95Å; I362-A374 HydrophobicContact CG2-CB 3.75Å |
| 375 | V | 94.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 131.4 | 176.8 | -171 | 0 | 0 | 0 | 0 | 110 | Y244 L268 V346 I347 N348 M373 Y377 L401 | Y244-V375 CarbonylContact O-C 3.54Å; Y244-V375 WeakPolarHBondContact O-CA 3.31Å; L268-V375 HydrophobicContact CD2-CB 4.2Å; L268-V375 HydrophobicContact CD2-CG1 4.36Å; L268-V375 HydrophobicContact CD2-CG2 3.99Å; V346-V375 PolarHBondContact O-N 2.9Å; I347-V375 CarbonylContact C-O 3.57Å; I347-V375 VanDerWaalsContact CA-O 3.28Å; I347-V375 WeakPolarHBondContact CA-O 3.47Å; N348-V375 PolarHBondContact N-O 3.31Å; M373-V375 HydrophobicContact CE-CG2 3.46Å; M373-V375 VanDerWaalsContact CE-CG2 3.46Å; M373-V375 HydrophobicContact CG-CG2 4.2Å; M373-V375 HydrophobicContact SD-CG2 4.04Å; V375-Y377 HydrophobicContact CG1-CD1 4.08Å; V375-Y377 HydrophobicContact CG1-CE1 3.66Å; V375-L401 HydrophobicContact CG1-CD1 4.22Å; V375-L401 HydrophobicContact CG1-CD2 4.28Å; V375-L401 HydrophobicContact CG2-CD1 4.25Å |
| 376 | T | 95.6 | Very high | 87.7 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 129.5 | 177.7 | -56.2 | 0 | 0 | 0 | 0 | 112 | Y244 Y245 K246 N348 V351 M387 | Y244-T376 PolarHBondContact O-N 3.37Å; Y245-T376 CarbonylContact C-O 3.59Å; Y245-T376 VanDerWaalsContact CA-O 3.25Å; Y245-T376 WeakPolarHBondContact CA-O 3.37Å; K246-T376 PolarHBondContact N-O 3.47Å; N348-T376 HydrophobicContact CB-CG2 3.65Å; N348-T376 PolarHBondContact ND2-OG1 3.29Å; V351-T376 HydrophobicContact CG2-CG2 4.12Å; T376-M387 HydrophobicContact CG2-SD 3.47Å; T376-M387 WeakPolarHBondContact CG2-SD 3.47Å |
| 377 | Y | 95.1 | Very high | 88.5 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 118.1 | 178.4 | -64.9 | -8 | 0 | 0 | 0 | 110.1 | K246 L248 K261 H264 L265 I347 N348 L349 V351 V375 | K246-Y377 HydrophobicContact CB-CD1 3.78Å; K246-Y377 HydrophobicContact CB-CE1 4.01Å; K246-Y377 HydrophobicContact CG-CD1 4.32Å; K246-Y377 HydrophobicContact CG-CE1 4.38Å; L248-Y377 HydrophobicContact CD1-CG 4.44Å; K261-Y377 HydrophobicContact CB-CD2 4.21Å; K261-Y377 HydrophobicContact CG-CD2 4.25Å; K261-Y377 PolarHBondContact NZ-O 2.91Å; K261-Y377 VanDerWaalsContact O-CE2 3.29Å; K261-Y377 WeakPolarHBondContact O-CE2 3.33Å; H264-Y377 HydrophobicContact CB-CE2 4.47Å; H264-Y377 PolarHBondContact O-OH 2.82Å; L265-Y377 WeakPolarHBondContact CA-OH 3.48Å; L265-Y377 HydrophobicContact CB-CE2 4.1Å; L265-Y377 PolarHBondContact N-OH 2.79Å; I347-Y377 HydrophobicContact CG2-CE2 4.44Å; N348-Y377 PolarHBondContact O-N 3.26Å; L349-Y377 HydrophobicContact CD1-CD2 3.99Å; L349-Y377 HydrophobicContact CD1-CE2 4.21Å; V351-Y377 WeakPolarHBondContact CG2-O 3.28Å; V375-Y377 HydrophobicContact CG1-CD1 4.08Å; V375-Y377 HydrophobicContact CG1-CE1 3.66Å |
| 378 | C | 93.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 133.5 | 179.4 | 55 | 0 | 0 | 0 | 0 | 110.3 | K246 L247 L248 V351 E383 | K246-C378 PolarHBondContact O-N 3.36Å; K246-C378 VanDerWaalsContact O-N 3.14Å; L247-C378 CarbonylContact C-O 3.5Å; L247-C378 WeakPolarHBondContact CA-O 3.38Å; L248-C378 PolarHBondContact N-O 3.11Å; V351-C378 HydrophobicContact CG2-CB 3.88Å; C378-E383 WeakPolarHBondContact CA-OE2 3.47Å; C378-E383 HydrophobicContact CB-CB 3.96Å |
| 379 | C | 91.9 | Very high | 90 | Very high | 10 Ų | 10 | 39.5 Ų | 39.5 | 7% | 0.068 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 146.8 | 169.3 | -49.4 | 0 | 0 | 0 | 0 | 110.1 | V257 K261 G381 E383 E384 | V257-C379 WeakPolarHBondContact CG1-SG 3.3Å; K261-C379 VanDerWaalsContact CE-SG 3.57Å; C379-G381 PolarHBondContact O-N 3.5Å; C379-E383 PolarHBondContact N-OE2 2.61Å; C379-E383 PolarHBondContact SG-OE2 2.83Å; C379-E384 PolarHBondContact O-N 3.12Å |
| 380 | H | 90.1 | Very high | 90.9 | Very high | 118 Ų | 118 | 39.6 Ų | 39.6 | 55% | 0.546 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 135.3 | 173.8 | -173.4 | 52.5 | 0 | 0 | 0 | 112 | L247 L248 S250 E384 | L247-H380 HydrophobicContact CD1-CB 4.25Å; L248-H380 PolarHBondContact O-N 2.91Å; S250-H380 WeakPolarHBondContact CB-O 3.41Å; H380-E384 WeakPolarHBondContact CA-OE2 3.45Å; H380-E384 IonicContact CE1-OE2 3.57Å; H380-E384 IonicContact CG-OE2 3.66Å; H380-E384 IonicContact ND1-OE2 2.69Å; H380-E384 PolarHBondContact ND1-OE2 3.1Å |
| 381 | G | 88.9 | Confident | 91.2 | Very high | 28 Ų | 28 | 39.6 Ų | 39.6 | 29% | 0.289 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 100.5 | -120.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | C379 E383 E384 N385 | C379-G381 PolarHBondContact O-N 3.5Å; G381-E383 PolarHBondContact O-N 2.84Å; G381-E384 PolarHBondContact N-OE2 3.49Å; G381-E384 PolarHBondContact O-N 2.76Å; G381-N385 WeakPolarHBondContact O-CB 3.37Å; G381-N385 VanDerWaalsContact O-CG 3.31Å; G381-N385 PolarHBondContact O-N 3.2Å; G381-N385 PolarHBondContact O-ND2 3.17Å |
| 382 | E | 88.1 | Confident | 91.4 | Very high | 152 Ų | 152 | 44.5 Ų | 44.5 | 71% | 0.71 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -63.3 | -42.8 | -169 | -69.8 | -170.8 | -165.5 | 0 | 0 | 114.9 | N385 K386 | E382-N385 PolarHBondContact O-N 2.73Å; E382-K386 WeakPolarHBondContact O-CG 3.26Å; E382-K386 PolarHBondContact O-N 2.92Å |
| 383 | E | 90.9 | Very high | 91.2 | Very high | 45 Ų | 45 | 51.9 Ų | 51.9 | 21% | 0.21 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.2 | -38.7 | 179.4 | -79.1 | -166.3 | 155.3 | 0 | 0 | 111.6 | K261 V351 C378 C379 G381 M387 | K261-E383 WeakPolarHBondContact CE-OE2 3.31Å; K261-E383 IonicContact NZ-OE1 2.9Å; K261-E383 PolarHBondContact NZ-OE1 3.31Å; K261-E383 IonicContact NZ-OE2 2.77Å; K261-E383 PolarHBondContact NZ-OE2 3Å; V351-E383 HydrophobicContact CG2-CB 3.84Å; V351-E383 HydrophobicContact CG2-CG 4.05Å; C378-E383 WeakPolarHBondContact CA-OE2 3.47Å; C378-E383 HydrophobicContact CB-CB 3.96Å; C379-E383 PolarHBondContact N-OE2 2.61Å; C379-E383 PolarHBondContact SG-OE2 2.83Å; G381-E383 PolarHBondContact O-N 2.84Å; E383-M387 WeakPolarHBondContact O-CB 3.19Å; E383-M387 PolarHBondContact O-N 2.81Å |
| 384 | E | 91.6 | Very high | 90.6 | Very high | 42 Ų | 42 | 52.3 Ų | 52.3 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.2 | -49.2 | 173.4 | -178.9 | 175.7 | -155.2 | 0 | 0 | 111.7 | L247 C379 H380 G381 K386 M387 M388 | L247-E384 HydrophobicContact CD1-CB 4.02Å; L247-E384 VanDerWaalsContact CD1-CD 3.49Å; L247-E384 HydrophobicContact CD1-CG 4Å; C379-E384 PolarHBondContact O-N 3.12Å; H380-E384 WeakPolarHBondContact CA-OE2 3.45Å; H380-E384 IonicContact CE1-OE2 3.57Å; H380-E384 IonicContact CG-OE2 3.66Å; H380-E384 IonicContact ND1-OE2 2.69Å; H380-E384 PolarHBondContact ND1-OE2 3.1Å; G381-E384 PolarHBondContact N-OE2 3.49Å; G381-E384 PolarHBondContact O-N 2.76Å; E384-K386 VanDerWaalsContact C-N 3.3Å; E384-K386 PolarHBondContact O-N 2.84Å; E384-M387 PolarHBondContact O-N 2.71Å; E384-M387 VanDerWaalsContact O-N 3.08Å; E384-M388 WeakPolarHBondContact O-CG 3.49Å; E384-M388 PolarHBondContact O-N 2.66Å |
| 385 | N | 91.7 | Very high | 90 | Very high | 114 Ų | 114 | 55.5 Ų | 55.5 | 61% | 0.61 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -58 | -41.2 | 176.6 | -74.3 | -25.1 | 0 | 0 | 0 | 112.2 | G381 E382 A389 | G381-N385 WeakPolarHBondContact O-CB 3.37Å; G381-N385 VanDerWaalsContact O-CG 3.31Å; G381-N385 PolarHBondContact O-N 3.2Å; G381-N385 PolarHBondContact O-ND2 3.17Å; E382-N385 PolarHBondContact O-N 2.73Å; N385-A389 WeakPolarHBondContact O-CB 3.49Å; N385-A389 PolarHBondContact O-N 3.07Å |
| 386 | K | 92.3 | Very high | 89.4 | Confident | 81 Ų | 81 | 56.6 Ų | 56.6 | 35% | 0.352 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 173.5 | -74.7 | 178.4 | -180 | -174.1 | 0 | 111.9 | V351 E382 E384 M388 A389 I390 | V351-K386 HydrophobicContact CG1-CB 4.28Å; E382-K386 WeakPolarHBondContact O-CG 3.26Å; E382-K386 PolarHBondContact O-N 2.92Å; E384-K386 VanDerWaalsContact C-N 3.3Å; E384-K386 PolarHBondContact O-N 2.84Å; K386-M388 PolarHBondContact O-N 3.35Å; K386-A389 PolarHBondContact O-N 2.82Å; K386-I390 WeakPolarHBondContact O-CG1 3.49Å; K386-I390 PolarHBondContact O-N 3.05Å |
| 387 | M | 92.3 | Very high | 88.6 | Confident | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.015 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 178.9 | -165.6 | 65.6 | -112.2 | 0 | 0 | 111.8 | V351 Y358 T376 E383 E384 I390 A391 L398 | V351-M387 HydrophobicContact CG1-CB 4.43Å; V351-M387 HydrophobicContact CG1-SD 4.2Å; Y358-M387 HydrophobicContact CD2-CE 3.8Å; Y358-M387 HydrophobicContact CD2-SD 4.5Å; Y358-M387 HydrophobicContact CE1-CE 4.37Å; Y358-M387 HydrophobicContact CE2-CE 3.38Å; Y358-M387 HydrophobicContact CE2-SD 4.13Å; Y358-M387 HydrophobicContact CG-CE 4.45Å; T376-M387 HydrophobicContact CG2-SD 3.47Å; T376-M387 WeakPolarHBondContact CG2-SD 3.47Å; E383-M387 WeakPolarHBondContact O-CB 3.19Å; E383-M387 PolarHBondContact O-N 2.81Å; E384-M387 PolarHBondContact O-N 2.71Å; E384-M387 VanDerWaalsContact O-N 3.08Å; M387-I390 HydrophobicContact CE-CB 4.12Å; M387-I390 HydrophobicContact CE-CG2 3.83Å; M387-I390 PolarHBondContact O-N 2.88Å; M387-A391 WeakPolarHBondContact O-CB 3.48Å; M387-A391 PolarHBondContact O-N 2.58Å; M387-L398 HydrophobicContact CE-CD1 3.59Å; M387-L398 HydrophobicContact CG-CD1 3.91Å; M387-L398 HydrophobicContact SD-CD1 4.46Å |
| 388 | M | 90.9 | Very high | 87.9 | Confident | 102 Ų | 102 | 63.8 Ų | 63.8 | 50% | 0.502 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68.2 | -37.5 | 177.5 | -63.7 | -62.4 | -85.9 | 0 | 0 | 112.2 | E384 K386 A391 Q392 | E384-M388 WeakPolarHBondContact O-CG 3.49Å; E384-M388 PolarHBondContact O-N 2.66Å; K386-M388 PolarHBondContact O-N 3.35Å; M388-A391 WeakPolarHBondContact O-CB 3.24Å; M388-A391 PolarHBondContact O-N 3.07Å; M388-Q392 WeakPolarHBondContact O-CB 3.45Å; M388-Q392 PolarHBondContact O-N 2.62Å |
| 389 | A | 91.9 | Very high | 87.6 | Confident | 49 Ų | 49 | 66 Ų | 66 | 41% | 0.405 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.4 | -37.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N385 K386 K393 | N385-A389 WeakPolarHBondContact O-CB 3.49Å; N385-A389 PolarHBondContact O-N 3.07Å; K386-A389 PolarHBondContact O-N 2.82Å; A389-K393 PolarHBondContact O-N 3.42Å; A389-K393 VanDerWaalsContact O-N 3.07Å |
| 390 | I | 91 | Very high | 87.4 | Confident | 8 Ų | 8 | 68.4 Ų | 68.4 | 4% | 0.041 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 172.2 | -71.4 | 166.7 | 0 | 0 | 0 | 110.5 | V351 P352 W355 Y358 K386 M387 Q392 K393 C394 | V351-I390 HydrophobicContact CG1-CD1 4.37Å; P352-I390 HydrophobicContact CG-CD1 4.14Å; W355-I390 HydrophobicContact CB-CB 4.44Å; W355-I390 HydrophobicContact CB-CG1 4.2Å; W355-I390 HydrophobicContact CB-CG2 4.07Å; Y358-I390 HydrophobicContact CD1-CG2 3.76Å; Y358-I390 HydrophobicContact CD2-CG2 4.27Å; Y358-I390 HydrophobicContact CE1-CG2 4.42Å; Y358-I390 HydrophobicContact CG-CG2 3.68Å; K386-I390 WeakPolarHBondContact O-CG1 3.49Å; K386-I390 PolarHBondContact O-N 3.05Å; M387-I390 HydrophobicContact CE-CB 4.12Å; M387-I390 HydrophobicContact CE-CG2 3.83Å; M387-I390 PolarHBondContact O-N 2.88Å; I390-Q392 PolarHBondContact O-N 2.68Å; I390-K393 PolarHBondContact O-N 3.16Å; I390-C394 WeakPolarHBondContact O-CB 3.43Å; I390-C394 PolarHBondContact O-N 3.42Å; I390-C394 PolarHBondContact O-SG 3.4Å |
| 391 | A | 88.5 | Confident | 87.3 | Confident | 10 Ų | 10 | 64.3 Ų | 64.3 | 8% | 0.083 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -57.8 | -48.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | M387 M388 C394 G395 L396 L398 | M387-A391 WeakPolarHBondContact O-CB 3.48Å; M387-A391 PolarHBondContact O-N 2.58Å; M388-A391 WeakPolarHBondContact O-CB 3.24Å; M388-A391 PolarHBondContact O-N 3.07Å; A391-C394 PolarHBondContact O-N 3.03Å; A391-G395 PolarHBondContact O-N 3.45Å; A391-L396 PolarHBondContact O-N 3.37Å; A391-L398 HydrophobicContact CB-CD1 3.55Å; A391-L398 HydrophobicContact CB-CG 3.84Å |
| 392 | Q | 88.4 | Confident | 86.9 | Confident | 169 Ų | 169 | 65.7 Ų | 65.7 | 79% | 0.79 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -61.4 | -46.2 | 178.7 | -171.6 | -178 | 12.6 | 0 | 0 | 111.9 | M388 I390 C394 G395 | M388-Q392 WeakPolarHBondContact O-CB 3.45Å; M388-Q392 PolarHBondContact O-N 2.62Å; I390-Q392 PolarHBondContact O-N 2.68Å; Q392-C394 VanDerWaalsContact C-N 3.3Å; Q392-C394 PolarHBondContact O-N 2.94Å; Q392-G395 PolarHBondContact O-N 2.95Å |
| 393 | K | 85.3 | Confident | 86.2 | Confident | 157 Ų | 157 | 64.5 Ų | 64.5 | 68% | 0.683 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -61.9 | -35 | 177.2 | -82.3 | -168.7 | 173.4 | -170.5 | 0 | 113.4 | W355 A389 I390 | W355-K393 HydrophobicContact CB-CB 4.45Å; W355-K393 HydrophobicContact CG-CB 4.26Å; W355-K393 HydrophobicContact CG-CD 4.12Å; A389-K393 PolarHBondContact O-N 3.42Å; A389-K393 VanDerWaalsContact O-N 3.07Å; I390-K393 PolarHBondContact O-N 3.16Å |
| 394 | C | 78.1 | Confident | 84.9 | Confident | 8 Ų | 8 | 66 Ų | 66 | 5% | 0.054 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -90.7 | -5.6 | -177.1 | -58.8 | 0 | 0 | 0 | 0 | 114 | W355 I390 A391 Q392 L396 | W355-C394 VanDerWaalsContact CE3-SG 3.54Å; I390-C394 WeakPolarHBondContact O-CB 3.43Å; I390-C394 PolarHBondContact O-N 3.42Å; I390-C394 PolarHBondContact O-SG 3.4Å; A391-C394 PolarHBondContact O-N 3.03Å; Q392-C394 VanDerWaalsContact C-N 3.3Å; Q392-C394 PolarHBondContact O-N 2.94Å; C394-L396 VanDerWaalsContact C-N 3.28Å; C394-L396 HydrophobicContact CB-CB 4.35Å; C394-L396 HydrophobicContact CB-CD1 3.43Å; C394-L396 VanDerWaalsContact CB-CD1 3.43Å; C394-L396 HydrophobicContact CB-CG 3.47Å; C394-L396 VanDerWaalsContact CB-CG 3.47Å; C394-L396 PolarHBondContact O-N 3.26Å |
| 395 | G | 80.5 | Confident | 83.6 | Confident | 68 Ų | 68 | 65.7 Ų | 65.7 | 70% | 0.701 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | 28.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A391 Q392 | A391-G395 PolarHBondContact O-N 3.45Å; Q392-G395 PolarHBondContact O-N 2.95Å |
| 396 | L | 81.3 | Confident | 81.9 | Confident | 23 Ų | 23 | 67.9 Ų | 67.9 | 12% | 0.12 | 41% | 0.408 | C | S | . | . | trans | -89.4 | 125.8 | -169.7 | -71.3 | 169.8 | 0 | 0 | 0 | 113.3 | Y358 M359 A391 C394 L398 | Y358-L396 HydrophobicContact CD1-CD1 4.28Å; Y358-L396 HydrophobicContact CE1-CD1 3.63Å; M359-L396 HydrophobicContact SD-CD1 4.36Å; A391-L396 PolarHBondContact O-N 3.37Å; C394-L396 VanDerWaalsContact C-N 3.28Å; C394-L396 HydrophobicContact CB-CB 4.35Å; C394-L396 HydrophobicContact CB-CD1 3.43Å; C394-L396 VanDerWaalsContact CB-CD1 3.43Å; C394-L396 HydrophobicContact CB-CG 3.47Å; C394-L396 VanDerWaalsContact CB-CG 3.47Å; C394-L396 PolarHBondContact O-N 3.26Å; L396-L398 VanDerWaalsContact C-N 3.25Å; L396-L398 HydrophobicContact CB-CD2 4.38Å; L396-L398 HydrophobicContact CB-CG 4.42Å; L396-L398 PolarHBondContact O-N 2.95Å | ||
| 397 | S | 77.7 | Confident | 79.9 | Confident | 122 Ų | 122 | 70.1 Ų | 70.1 | 85% | 0.853 | 43% | 0.431 | S | S | * | . | trans | -72.9 | 73.7 | 166.1 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 398 | L | 81.6 | Confident | 78 | Confident | 30 Ų | 30 | 72.2 Ų | 72.2 | 16% | 0.157 | 45% | 0.454 | C | S | . | . | trans | -67.9 | 131.4 | 172.7 | -66.6 | -172.4 | 0 | 0 | 0 | 111 | Q243 Y245 M387 A391 L396 | Q243-L398 HydrophobicContact CB-CD2 4.11Å; Y245-L398 HydrophobicContact CD1-CB 4.02Å; Y245-L398 HydrophobicContact CE1-CB 4.36Å; M387-L398 HydrophobicContact CE-CD1 3.59Å; M387-L398 HydrophobicContact CG-CD1 3.91Å; M387-L398 HydrophobicContact SD-CD1 4.46Å; A391-L398 HydrophobicContact CB-CD1 3.55Å; A391-L398 HydrophobicContact CB-CG 3.84Å; L396-L398 VanDerWaalsContact C-N 3.25Å; L396-L398 HydrophobicContact CB-CD2 4.38Å; L396-L398 HydrophobicContact CB-CG 4.42Å; L396-L398 PolarHBondContact O-N 2.95Å | ||
| 399 | S | 86.4 | Confident | 76.3 | Confident | 48 Ų | 48 | 69.1 Ų | 69.1 | 34% | 0.336 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 146.7 | 174.6 | 59.6 | 0 | 0 | 0 | 0 | 111.2 | Q243 Y244 Y245 | Q243-S399 PolarHBondContact O-N 2.77Å; Q243-S399 PolarHBondContact O-OG 3.09Å; Y244-S399 CarbonylContact C-O 3.56Å; Y244-S399 VanDerWaalsContact CA-O 3.23Å; Y244-S399 WeakPolarHBondContact CA-O 3.17Å; Y244-S399 WeakPolarHBondContact CD1-OG 3.27Å; Y244-S399 WeakPolarHBondContact CE1-OG 3.43Å; Y245-S399 WeakPolarHBondContact CD1-O 3.19Å; Y245-S399 PolarHBondContact N-O 3.49Å |
| 400 | A | 88.6 | Confident | 74.8 | Confident | 59 Ų | 59 | 67.8 Ų | 67.8 | 49% | 0.488 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 136.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y245 P402 | Y245-A400 HydrophobicContact CE1-CB 4.19Å; Y245-A400 CarbonylContact O-C 3.49Å; Y245-A400 WeakPolarHBondContact O-CA 3.19Å; A400-P402 WeakPolarHBondContact O-CD 3.44Å; A400-P402 VanDerWaalsContact O-N 3.16Å |
| 401 | L | 86.7 | Confident | 73 | Confident | 33 Ų | 33 | 71.6 Ų | 71.6 | 17% | 0.173 | 45% | 0.445 | C | S | . | . | trans | -60.2 | 115.6 | 177 | -175.1 | 77.1 | 0 | 0 | 0 | 109.2 | Y244 Y245 K246 L268 V375 L405 | Y244-L401 HydrophobicContact CD1-CD1 4.45Å; Y244-L401 HydrophobicContact CD2-CD1 4.35Å; Y244-L401 HydrophobicContact CG-CD1 3.97Å; Y245-L401 PolarHBondContact O-N 3.07Å; K246-L401 HydrophobicContact CB-CB 4.15Å; K246-L401 HydrophobicContact CB-CD2 4.1Å; K246-L401 HydrophobicContact CG-CD2 4.37Å; L268-L401 HydrophobicContact CD1-CD1 4.23Å; L268-L401 HydrophobicContact CD1-CD2 3.93Å; V375-L401 HydrophobicContact CG1-CD1 4.22Å; V375-L401 HydrophobicContact CG1-CD2 4.28Å; V375-L401 HydrophobicContact CG2-CD1 4.25Å; L401-L405 HydrophobicContact CD1-CD2 4.03Å | ||
| 402 | P | 82.3 | Confident | 71.3 | Confident | 56 Ų | 56 | 74 Ų | 74 | 36% | 0.364 | 45% | 0.454 | S | S | . | . | trans | -71.8 | 151.8 | -172.7 | 30.8 | -36.1 | 0 | 0 | 0 | 111.5 | A400 A404 L405 | A400-P402 WeakPolarHBondContact O-CD 3.44Å; A400-P402 VanDerWaalsContact O-N 3.16Å; P402-A404 WeakPolarHBondContact CB-O 3.39Å; P402-L405 HydrophobicContact CG-CD2 4.09Å; P402-L405 HydrophobicContact CG-CG 4.2Å | ||
| 403 | S | 72 | Confident | 69 | Low | 127 Ų | 127 | 71.3 Ų | 71.3 | 89% | 0.888 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -67.5 | -35.3 | -177.4 | 49.6 | 0 | 0 | 0 | 0 | 113 | ||
| 404 | A | 63.7 | Low | 67.1 | Low | 77 Ų | 77 | 66.6 Ų | 66.6 | 64% | 0.636 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -110.6 | 128.5 | 161.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | P402 | P402-A404 WeakPolarHBondContact CB-O 3.39Š|
| 405 | L | 65.8 | Low | 65.1 | Low | 35 Ų | 35 | 72.8 Ų | 72.8 | 18% | 0.183 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -93.1 | 135.9 | 170.1 | -66.3 | 128.8 | 0 | 0 | 0 | 107.5 | I272 L401 P402 L409 | I272-L405 HydrophobicContact CD1-CD1 3.73Å; I272-L405 HydrophobicContact CD1-CD2 3.98Å; I272-L405 HydrophobicContact CD1-CG 4.43Å; I272-L405 HydrophobicContact CG1-CD1 3.84Å; L401-L405 HydrophobicContact CD1-CD2 4.03Å; P402-L405 HydrophobicContact CG-CD2 4.09Å; P402-L405 HydrophobicContact CG-CG 4.2Å; L405-L409 HydrophobicContact CD2-CD2 3.64Å |
| 406 | E | 55.8 | Low | 63.5 | Low | 161 Ų | 161 | 73.2 Ų | 73.2 | 75% | 0.752 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 133.1 | -178 | -61.6 | -160.3 | 150.3 | 0 | 0 | 111 | G408 L409 | E406-G408 PolarHBondContact O-N 2.95Å; E406-L409 WeakPolarHBondContact O-CB 3.32Å; E406-L409 PolarHBondContact O-N 3.5Å; E406-L409 VanDerWaalsContact O-N 3.11Å |
| 407 | P | 48.7 | Very low | 61.2 | Low | 128 Ų | 128 | 80.2 Ų | 80.2 | 83% | 0.831 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 135.1 | 164.5 | -22.1 | 33.5 | 0 | 0 | 0 | 109.3 | ||
| 408 | G | 52.4 | Low | 59.2 | Low | 47 Ų | 47 | 77.5 Ų | 77.5 | 49% | 0.485 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.3 | -13.2 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | E406 M410 D411 | E406-G408 PolarHBondContact O-N 2.95Å; G408-M410 PolarHBondContact O-N 3.24Å; G408-D411 WeakPolarHBondContact CA-OD2 3.24Å; G408-D411 PolarHBondContact N-OD2 3.2Å |
| 409 | L | 55 | Low | 56.7 | Low | 36 Ų | 36 | 82.2 Ų | 82.2 | 19% | 0.188 | 50% | 0.5 | C | S | . | . | S | Bend | trans | -62.8 | -28.8 | -175 | -161.6 | 74.7 | 0 | 0 | 0 | 113.6 | K242 Y244 M373 L405 E406 | K242-L409 HydrophobicContact CD-CD1 3.89Å; K242-L409 HydrophobicContact CD-CG 4.09Å; K242-L409 PolarHBondContact NZ-O 3.37Å; Y244-L409 HydrophobicContact CE2-CD2 4.21Å; M373-L409 HydrophobicContact SD-CD2 4.24Å; L405-L409 HydrophobicContact CD2-CD2 3.64Å; E406-L409 WeakPolarHBondContact O-CB 3.32Å; E406-L409 PolarHBondContact O-N 3.5Å; E406-L409 VanDerWaalsContact O-N 3.11Å |
| 410 | M | 61.1 | Low | 54.2 | Low | 22 Ų | 22 | 83.6 Ų | 83.6 | 11% | 0.108 | 52% | 0.515 | C | S | . | . | S | Bend | trans | -130.5 | 8.4 | 179.2 | -66.5 | -70.5 | -84.4 | 0 | 0 | 112.8 | I272 P273 N344 M373 G408 E412 | I272-M410 HydrophobicContact CG2-CB 4.39Å; I272-M410 HydrophobicContact CG2-CG 3.83Å; P273-M410 HydrophobicContact CG-CB 4.35Å; N344-M410 HydrophobicContact CB-CE 4.11Å; N344-M410 WeakPolarHBondContact ND2-CE 3.31Å; N344-M410 WeakPolarHBondContact O-CE 3.31Å; M373-M410 HydrophobicContact CB-CE 4.01Å; M373-M410 HydrophobicContact CB-SD 3.78Å; G408-M410 PolarHBondContact O-N 3.24Å; M410-E412 VanDerWaalsContact C-N 3.28Å; M410-E412 PolarHBondContact O-N 3.16Å; M410-E412 VanDerWaalsContact O-N 3.15Å |
| 411 | D | 52.8 | Low | 51.2 | Low | 87 Ų | 87 | 88.5 Ų | 88.5 | 47% | 0.465 | 53% | 0.533 | S | S | . | . | trans | -92.2 | 35.1 | -164 | -50 | -13.6 | 0 | 0 | 0 | 112.7 | P273 G408 | P273-D411 WeakPolarHBondContact CG-OD1 3.24Å; G408-D411 WeakPolarHBondContact CA-OD2 3.24Å; G408-D411 PolarHBondContact N-OD2 3.2Å | ||
| 412 | E | 53.8 | Low | 48.4 | Very low | 61 Ų | 61 | 91.6 Ų | 91.6 | 29% | 0.285 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -63.3 | 127.9 | 163 | -78.2 | -169.1 | 149.7 | 0 | 0 | 108.2 | Q371 M410 C414 | Q371-E412 PolarHBondContact NE2-OE1 3.04Å; M410-E412 VanDerWaalsContact C-N 3.28Å; M410-E412 PolarHBondContact O-N 3.16Å; M410-E412 VanDerWaalsContact O-N 3.15Å; E412-C414 PolarHBondContact O-N 3.13Å; E412-C414 PolarHBondContact O-SG 3.05Å |
| 413 | P | 40.2 | Very low | 45.9 | Very low | 112 Ų | 112 | 93.7 Ų | 93.7 | 73% | 0.727 | 59% | 0.585 | S | S | * | * | trans | -58.9 | 126.3 | -173.7 | 23.2 | -33.2 | 0 | 0 | 0 | 110.1 | D415 | P413-D415 PolarHBondContact O-N 2.73Š| ||
| 414 | C | 44.2 | Very low | 43.7 | Very low | 59 Ų | 59 | 91.4 Ų | 91.4 | 40% | 0.399 | 57% | 0.574 | S | S | . | * | trans | -95.4 | 98.9 | -179 | -73.8 | 0 | 0 | 0 | 0 | 109.4 | N275 E412 W416 | N275-C414 PolarHBondContact ND2-SG 3.15Å; E412-C414 PolarHBondContact O-N 3.13Å; E412-C414 PolarHBondContact O-SG 3.05Å; C414-W416 PolarHBondContact O-N 3.11Å | ||
| 415 | D | 37.1 | Very low | 42.4 | Very low | 137 Ų | 137 | 94 Ų | 94 | 73% | 0.733 | 58% | 0.584 | S | S | * | * | trans | -66 | 23 | 171.4 | -56.5 | -30.9 | 0 | 0 | 0 | 113.6 | P413 | P413-D415 PolarHBondContact O-N 2.73Š| ||
| 416 | W | 47.3 | Very low | 40.6 | Very low | 77 Ų | 77 | 99.6 Ų | 99.6 | 29% | 0.292 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -87.3 | 113.2 | 166.4 | -59.4 | 122.9 | 0 | 0 | 0 | 107.9 | R15 K342 C414 V418 | R15-W416 VanDerWaalsContact NH2-NE1 3.18Å; K342-W416 HydrophobicContact CD-CD2 4.46Å; K342-W416 HydrophobicContact CD-CZ2 4.2Å; K342-W416 HydrophobicContact CG-CH2 4.47Å; K342-W416 HydrophobicContact CG-CZ2 3.76Å; C414-W416 PolarHBondContact O-N 3.11Å; W416-V418 HydrophobicContact CB-CG2 3.84Å; W416-V418 PolarHBondContact O-N 3.18Å |
| 417 | D | 31.2 | Very low | 39.4 | Very low | 171 Ų | 171 | 97.9 Ų | 97.9 | 91% | 0.914 | 62% | 0.615 | S | S | * | * | trans | -60.8 | 81.5 | 169.5 | -73.2 | -49.1 | 0 | 0 | 0 | 111 | ||||
| 418 | V | 36.2 | Very low | 38.6 | Very low | 65 Ų | 65 | 99.6 Ų | 99.6 | 39% | 0.394 | 62% | 0.616 | S | S | . | * | trans | -108.1 | 91.5 | 178 | -179.1 | 0 | 0 | 0 | 0 | 107.4 | Y323 W416 A420 | Y323-V418 HydrophobicContact CE1-CG1 4.27Å; Y323-V418 HydrophobicContact CE1-CG2 4.25Å; W416-V418 HydrophobicContact CB-CG2 3.84Å; W416-V418 PolarHBondContact O-N 3.18Å; V418-A420 HydrophobicContact CG1-CB 3.97Å; V418-A420 PolarHBondContact O-N 2.8Å | ||
| 419 | C | 30.2 | Very low | 37.3 | Very low | 128 Ų | 128 | 101.9 Ų | 101.9 | 87% | 0.865 | 62% | 0.624 | S | S | * | * | trans | -67.4 | 76.7 | 167.2 | -65.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 420 | A | 32.6 | Very low | 36.2 | Very low | 77 Ų | 77 | 106.2 Ų | 106.2 | 64% | 0.636 | 65% | 0.654 | S | S | * | * | trans | -99.1 | 77.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109 | V418 A422 | V418-A420 HydrophobicContact CG1-CB 3.97Å; V418-A420 PolarHBondContact O-N 2.8Å; A420-A422 PolarHBondContact O-N 3.44Å | ||
| 421 | D | 26.6 | Very low | 34.5 | Very low | 162 Ų | 162 | 113.4 Ų | 113.4 | 87% | 0.866 | 69% | 0.692 | S | S | * | * | trans | -57.5 | 106.9 | 166 | -76.3 | -44.3 | 0 | 0 | 0 | 108.6 | A423 | D421-A423 PolarHBondContact O-N 3.28Å; D421-A423 VanDerWaalsContact O-N 3.08Å | ||
| 422 | A | 28.1 | Very low | 33.4 | Very low | 98 Ų | 98 | 116.3 Ų | 116.3 | 81% | 0.81 | 71% | 0.707 | S | S | * | * | trans | -69.7 | 107.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | A420 A424 | A420-A422 PolarHBondContact O-N 3.44Å; A422-A424 PolarHBondContact O-N 3Å | ||
| 423 | A | 29.5 | Very low | 32.2 | Very low | 100 Ų | 100 | 118.8 Ų | 118.8 | 83% | 0.826 | 73% | 0.731 | S | S | * | * | trans | -56.7 | 121.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | D421 | D421-A423 PolarHBondContact O-N 3.28Å; D421-A423 VanDerWaalsContact O-N 3.08Å | ||
| 424 | A | 26 | Very low | 31.6 | Very low | 80 Ų | 80 | 124.9 Ų | 124.9 | 66% | 0.661 | 74% | 0.739 | S | S | * | * | trans | -64.9 | 148.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A422 D426 | A422-A424 PolarHBondContact O-N 3Å; A424-D426 PolarHBondContact O-N 3.32Å | ||
| 425 | P | 35 | Very low | 30.8 | Very low | 130 Ų | 130 | 129 Ų | 129 | 84% | 0.844 | 76% | 0.763 | S | S | * | * | trans | -79.6 | 83.7 | -174.9 | 32.3 | -35.8 | 0 | 0 | 0 | 112.1 | ||||
| 426 | D | 29.7 | Very low | 30.3 | Very low | 154 Ų | 154 | 129 Ų | 129 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 148 | 174.1 | -95.7 | -31.4 | 0 | 0 | 0 | 113.2 | A424 | A424-D426 PolarHBondContact O-N 3.32Š|
| 427 | T | 29.3 | Very low | 29.3 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -76 | 128.2 | -157.1 | -44 | 0 | 0 | 0 | 0 | 114.7 | S429 | T427-S429 PolarHBondContact O-N 3.06Š|
| 428 | I | 31.4 | Very low | 29.1 | Very low | 163 Ų | 163 | 137.4 Ų | 137.4 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 124 | 172.8 | -59.2 | 174.9 | 0 | 0 | 0 | 110.6 | ||
| 429 | S | 25.9 | Very low | 28.4 | Very low | 96 Ų | 96 | 143.7 Ų | 143.7 | 67% | 0.671 | 82% | 0.82 | S | S | * | * | trans | -126.1 | 132.6 | 167 | -71.1 | 0 | 0 | 0 | 0 | 110.4 | T427 L431 | T427-S429 PolarHBondContact O-N 3.06Å; S429-L431 PolarHBondContact O-N 2.9Å | ||
| 430 | P | 31.3 | Very low | 28.2 | Very low | 126 Ų | 126 | 149 Ų | 149 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -79.8 | 117.2 | -171.8 | 30.6 | -34.2 | 0 | 0 | 0 | 112 | ||||
| 431 | L | 26.4 | Very low | 27.8 | Very low | 173 Ų | 173 | 152.4 Ų | 152.4 | 91% | 0.906 | 83% | 0.834 | S | S | * | * | trans | -97.8 | 109.9 | -177.4 | -128.8 | 157.7 | 0 | 0 | 0 | 111.4 | S429 | S429-L431 PolarHBondContact O-N 2.9Š| ||
| 432 | I | 28.5 | Very low | 27.6 | Very low | 149 Ų | 149 | 154 Ų | 154 | 76% | 0.764 | 83% | 0.834 | S | S | * | * | trans | -66.7 | 141.7 | -178.2 | -66 | 171.6 | 0 | 0 | 0 | 111.1 | R434 | I432-R434 PolarHBondContact O-N 3.07Š| ||
| 433 | S | 29.9 | Very low | 27.5 | Very low | 113 Ų | 113 | 156.4 Ų | 156.4 | 79% | 0.79 | 84% | 0.838 | S | S | * | * | trans | -65.5 | 127.5 | -178.8 | 49.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 434 | R | 26.3 | Very low | 27.2 | Very low | 239 Ų | 239 | 154.6 Ų | 154.6 | 90% | 0.902 | 83% | 0.829 | S | S | * | * | trans | -137.2 | 117.9 | 162 | -81.6 | -168.2 | 167.1 | 173.8 | -2.7 | 111.7 | I432 | I432-R434 PolarHBondContact O-N 3.07Š| ||
| 435 | T | 27.8 | Very low | 27.1 | Very low | 146 Ų | 146 | 155.7 Ų | 155.7 | 90% | 0.896 | 84% | 0.838 | S | S | * | * | trans | -82.6 | 123.2 | 175.4 | 39.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 436 | V | 26.5 | Very low | 27 | Very low | 136 Ų | 136 | 155.8 Ų | 155.8 | 82% | 0.824 | 84% | 0.839 | S | S | * | * | trans | -136 | 126.6 | 168.1 | -174.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 437 | K | 27.9 | Very low | 26.8 | Very low | 209 Ų | 209 | 153.3 Ų | 153.3 | 91% | 0.909 | 84% | 0.839 | S | S | * | * | trans | -68.4 | 135.9 | 176.9 | -58.5 | 167.5 | -177.9 | 173.7 | 0 | 109.9 | ||||
| 438 | K | 25.7 | Very low | 26.7 | Very low | 216 Ų | 216 | 153 Ų | 153 | 94% | 0.939 | 84% | 0.842 | S | S | * | * | trans | -109 | 131.1 | 170.4 | -145.8 | 167.4 | -172.1 | 175.9 | 0 | 111.7 | ||||
| 439 | K | 23 | Very low | 26.6 | Very low | 197 Ų | 197 | 152.2 Ų | 152.2 | 86% | 0.857 | 84% | 0.84 | S | S | * | * | trans | -102.8 | 148.4 | -170.4 | -169.4 | 178.5 | -179.3 | -177.1 | 0 | 109.8 | ||||
| 440 | R | 24.6 | Very low | 26.8 | Very low | 241 Ų | 241 | 153.1 Ų | 153.1 | 91% | 0.909 | 84% | 0.841 | S | S | * | * | trans | -65.2 | 133.9 | 174.9 | -64.2 | 166.7 | 90.8 | -179.4 | 10.4 | 110.7 | ||||
| 441 | T | 24 | Very low | 26.6 | Very low | 147 Ų | 147 | 151.4 Ų | 151.4 | 90% | 0.902 | 83% | 0.829 | S | S | * | * | trans | -140.9 | 159.8 | 149.2 | -43 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 442 | K | 23.9 | Very low | 26.7 | Very low | 196 Ų | 196 | 153.4 Ų | 153.4 | 85% | 0.852 | 82% | 0.824 | S | S | * | * | trans | -118 | -170.4 | -172.4 | -142.3 | -177 | -176.9 | -171.4 | 0 | 110.2 | ||||
| 443 | V | 24.8 | Very low | 26.7 | Very low | 149 Ų | 149 | 151.7 Ų | 151.7 | 90% | 0.903 | 82% | 0.816 | S | S | * | * | trans | 86.3 | 132.5 | 175.2 | -171.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 444 | G | 22.7 | Very low | 26.6 | Very low | 62 Ų | 62 | 153.8 Ų | 153.8 | 64% | 0.639 | 81% | 0.811 | S | S | * | * | cis | 163 | 179.2 | -9.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 445 | A | 25.3 | Very low | 26.5 | Very low | 102 Ų | 102 | 146.1 Ų | 146.1 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | 70.5 | 159.6 | 174 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 446 | P | 32.8 | Very low | 26.5 | Very low | 133 Ų | 133 | 145.2 Ų | 145.2 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | cis | -124.5 | -169.7 | -30.1 | 33 | -14.4 | 0 | 0 | 0 | 112.5 | ||||
| 447 | A | 25.5 | Very low | 26.5 | Very low | 101 Ų | 101 | 147.1 Ų | 147.1 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -145.2 | 156.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 448 | S | 27.7 | Very low | 26.4 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -174.5 | 150.5 | 159.3 | 55.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 449 | D | 27.9 | Very low | 26.4 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | cis | -172.8 | 175.5 | -26.4 | -170 | 16.2 | 0 | 0 | 0 | 107.7 | ||||
| 450 | V | 30.2 | Very low | 26.5 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 70% | 0.697 | 76% | 0.764 | S | S | * | * | trans | 77.9 | 136.9 | 163.5 | 179.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 451 | T | 27.8 | Very low | 26.6 | Very low | 91 Ų | 91 | 131.2 Ų | 131.2 | 56% | 0.558 | 76% | 0.764 | S | S | * | * | cis | -161.3 | 150.5 | -45.5 | 50 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 452 | R | 28.9 | Very low | 26.6 | Very low | 214 Ų | 214 | 133.6 Ų | 133.6 | 81% | 0.808 | 76% | 0.756 | S | S | * | * | trans | 68.9 | 150 | 154.3 | -69.4 | 159.9 | 178.8 | 160.2 | -0.7 | 116.7 | ||||
| 453 | D | 28 | Very low | 27 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 60% | 0.604 | 76% | 0.756 | S | S | * | * | cis | -163.7 | 167.7 | -4.6 | -103.2 | -24.6 | 0 | 0 | 0 | 106.5 | ||||
| 454 | K | 27 | Very low | 27.1 | Very low | 158 Ų | 158 | 127.7 Ų | 127.7 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | cis | -154.8 | 162.8 | -2.2 | -120.8 | 164.1 | -178.9 | 65.6 | 0 | 108.8 | ||||
| 455 | A | 25.7 | Very low | 27.5 | Very low | 78 Ų | 78 | 132.1 Ų | 132.1 | 65% | 0.645 | 74% | 0.738 | S | S | * | * | 33.8 | 135.2 | 96.8 | 0 | 0 | 0 | 0 | 0 | 116 | |||||
| 456 | V | 27.6 | Very low | 27.5 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | cis | -139.1 | 127.7 | 32 | 174.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 457 | E | 26.5 | Very low | 27.3 | Very low | 175 Ų | 175 | 133.7 Ų | 133.7 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | 63.7 | 143.2 | 79.2 | -83.9 | -172.9 | 148.9 | 0 | 0 | 115.6 | |||||
| 458 | S | 25.7 | Very low | 27.3 | Very low | 93 Ų | 93 | 134.9 Ų | 134.9 | 65% | 0.65 | 72% | 0.721 | S | S | * | * | cis | -162.5 | 167 | -5.3 | 57.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 459 | S | 25.3 | Very low | 27.3 | Very low | 91 Ų | 91 | 133.3 Ų | 133.3 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | trans | 51.1 | 110.6 | 146.9 | 56.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 460 | N | 24.4 | Very low | 27.1 | Very low | 151 Ų | 151 | 132.5 Ų | 132.5 | 81% | 0.807 | 72% | 0.716 | S | S | * | * | 73.8 | 116.5 | 80.6 | -76 | -20.8 | 0 | 0 | 0 | 117 | |||||
| 461 | Q | 26.5 | Very low | 27 | Very low | 194 Ų | 194 | 134.8 Ų | 134.8 | 91% | 0.907 | 72% | 0.723 | S | S | * | * | -172.2 | 161.9 | 100.7 | -96.8 | 176.9 | 61.8 | 0 | 0 | 112.1 | |||||
| 462 | R | 25.5 | Very low | 26.9 | Very low | 198 Ų | 198 | 136.4 Ų | 136.4 | 75% | 0.747 | 73% | 0.733 | S | S | * | * | trans | -117.3 | 175.1 | 172.2 | -67.9 | -167.1 | -176.1 | -179.7 | 2.5 | 110.5 | D464 | R462-D464 VanDerWaalsContact CD-OD1 3.23Å; R462-D464 WeakPolarHBondContact CD-OD1 3.43Å; R462-D464 IonicContact CZ-OD1 3.75Å; R462-D464 IonicContact NE-OD1 3.93Å; R462-D464 IonicContact NH1-OD1 2.75Å; R462-D464 PolarHBondContact NH1-OD1 3.11Å; R462-D464 IonicContact NH1-OD2 3.75Å | ||
| 463 | P | 32 | Very low | 27.3 | Very low | 131 Ų | 131 | 131.1 Ų | 131.1 | 85% | 0.851 | 73% | 0.727 | S | S | * | * | -137.9 | 174.5 | 100 | 22.8 | -2.2 | 0 | 0 | 0 | 116.6 | |||||
| 464 | D | 27.2 | Very low | 27.2 | Very low | 89 Ų | 89 | 133.9 Ų | 133.9 | 48% | 0.476 | 74% | 0.736 | S | S | . | * | trans | -121.4 | 160.6 | 178.5 | -80.8 | 93.7 | 0 | 0 | 0 | 107.9 | R462 | R462-D464 VanDerWaalsContact CD-OD1 3.23Å; R462-D464 WeakPolarHBondContact CD-OD1 3.43Å; R462-D464 IonicContact CZ-OD1 3.75Å; R462-D464 IonicContact NE-OD1 3.93Å; R462-D464 IonicContact NH1-OD1 2.75Å; R462-D464 PolarHBondContact NH1-OD1 3.11Å; R462-D464 IonicContact NH1-OD2 3.75Å | ||
| 465 | K | 29.4 | Very low | 27.1 | Very low | 156 Ų | 156 | 132.5 Ų | 132.5 | 68% | 0.678 | 74% | 0.735 | S | S | * | * | cis | -167.9 | 161.6 | 6 | -128.1 | -179.8 | -172.1 | 75.2 | 0 | 112 | ||||
| 466 | T | 25.9 | Very low | 27.1 | Very low | 110 Ų | 110 | 136.5 Ų | 136.5 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | trans | 66.2 | 171.6 | 155.2 | 56.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 467 | Q | 29.1 | Very low | 27 | Very low | 157 Ų | 157 | 138.9 Ų | 138.9 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | cis | -160.2 | 144.6 | 18.1 | -142.4 | 159 | 107.8 | 0 | 0 | 114.9 | ||||
| 468 | T | 25.5 | Very low | 26.8 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | trans | 42.8 | 145.4 | 144.6 | 54.1 | 0 | 0 | 0 | 0 | 127.2 | ||||
| 469 | A | 27.7 | Very low | 26.8 | Very low | 87 Ų | 87 | 138.5 Ų | 138.5 | 72% | 0.719 | 75% | 0.751 | S | S | * | * | trans | 112.1 | 98.7 | 130.3 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 470 | T | 24.2 | Very low | 26.9 | Very low | 129 Ų | 129 | 143.8 Ų | 143.8 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | 33.1 | 124.2 | 121.3 | -32 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 471 | L | 26.8 | Very low | 27 | Very low | 163 Ų | 163 | 147.1 Ų | 147.1 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | 174.1 | 157.2 | 116 | -92.3 | 167.8 | 0 | 0 | 0 | 113.5 | |||||
| 472 | T | 25.7 | Very low | 27 | Very low | 125 Ų | 125 | 145.9 Ų | 145.9 | 77% | 0.767 | 76% | 0.762 | S | S | * | * | trans | -112.2 | 178.8 | 170 | 45.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 473 | P | 37.9 | Very low | 27.1 | Very low | 103 Ų | 103 | 142 Ų | 142 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | cis | -146.3 | 178.3 | 14.5 | 45.3 | -25.2 | 0 | 0 | 0 | 119.1 | ||||
| 474 | Q | 26 | Very low | 26.9 | Very low | 171 Ų | 171 | 143 Ų | 143 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | trans | 75.4 | 144.9 | 135.3 | -102.8 | 172 | -12.8 | 0 | 0 | 126 | ||||
| 475 | L | 25.7 | Very low | 26.9 | Very low | 129 Ų | 129 | 144 Ų | 144 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | trans | 82.4 | 134.4 | 155.7 | -63.9 | 176.3 | 0 | 0 | 0 | 122.2 | ||||
| 476 | E | 24.7 | Very low | 26.8 | Very low | 161 Ų | 161 | 143.4 Ų | 143.4 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | 61.5 | 144.8 | 139.9 | -72.6 | 157.2 | -156.9 | 0 | 0 | 120.5 | ||||
| 477 | E | 25.3 | Very low | 27.2 | Very low | 177 Ų | 177 | 149.6 Ų | 149.6 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | cis | -149.8 | -156.8 | -13 | -142.7 | -176 | -170.4 | 0 | 0 | 111.4 | ||||
| 478 | E | 23.4 | Very low | 27.5 | Very low | 184 Ų | 184 | 147.8 Ų | 147.8 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -68.3 | 142.1 | -164.5 | -56.6 | -165.1 | 129.2 | 0 | 0 | 117.4 | ||||
| 479 | G | 23.8 | Very low | 27.9 | Very low | 76 Ų | 76 | 151.8 Ų | 151.8 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | 102.5 | 104.5 | 107.5 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 480 | E | 27.6 | Very low | 28.2 | Very low | 203 Ų | 203 | 158.5 Ų | 158.5 | 95% | 0.949 | 81% | 0.805 | S | S | * | * | trans | -139.9 | 164.2 | 148.2 | -136.5 | 176.4 | -150.9 | 0 | 0 | 111.7 | ||||
| 481 | R | 27.1 | Very low | 28.8 | Very low | 221 Ų | 221 | 160.9 Ų | 160.9 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | -118 | 141.7 | -151.7 | -89.6 | -175.1 | 177.4 | 178.8 | 1.9 | 116.8 | ||||
| 482 | Q | 26.4 | Very low | 29.4 | Very low | 167 Ų | 167 | 161.6 Ų | 161.6 | 78% | 0.78 | 81% | 0.806 | S | S | * | * | trans | 77 | 165.3 | 142.2 | -73.8 | 179.8 | -21.9 | 0 | 0 | 121.2 | ||||
| 483 | V | 28.6 | Very low | 30 | Very low | 116 Ų | 116 | 163.5 Ų | 163.5 | 70% | 0.703 | 81% | 0.807 | S | S | * | * | trans | 73.5 | 69.4 | 164.5 | -154.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 484 | N | 27.5 | Very low | 30 | Very low | 154 Ų | 154 | 166.3 Ų | 166.3 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | 167.8 | 113.6 | 111.4 | -90.6 | -46.4 | 0 | 0 | 0 | 113.7 | |||||
| 485 | S | 26.2 | Very low | 30.6 | Very low | 108 Ų | 108 | 166.3 Ų | 166.3 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | trans | -178.8 | 74.9 | 144.4 | -170.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 486 | T | 27.6 | Very low | 31.2 | Very low | 145 Ų | 145 | 168 Ų | 168 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | trans | -117.4 | 45.7 | -174.9 | -36.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 487 | R | 33.5 | Very low | 31.7 | Very low | 239 Ų | 239 | 168.1 Ų | 168.1 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -147 | 13.7 | -178.6 | -135.5 | 177.8 | -179.1 | 175.7 | 0.2 | 119.7 | ||
| 488 | V | 36.8 | Very low | 32.3 | Very low | 120 Ų | 120 | 168.2 Ų | 168.2 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -116.8 | -33.3 | 177 | -174.3 | 0 | 0 | 0 | 0 | 114.1 | R490 | V488-R490 PolarHBondContact O-N 2.61Š|
| 489 | K | 32.7 | Very low | 32.8 | Very low | 209 Ų | 209 | 168.2 Ų | 168.2 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 43 | 179.9 | -68.4 | -169.1 | 174.4 | -176 | 0 | 114.4 | ||
| 490 | R | 33.8 | Very low | 33.4 | Very low | 229 Ų | 229 | 173 Ų | 173 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.5 | 10.8 | 176.3 | -122.2 | -179.3 | -173.8 | -173.6 | 1.3 | 115.1 | V488 | V488-R490 PolarHBondContact O-N 2.61Š|
| 491 | Q | 37.3 | Very low | 33.7 | Very low | 178 Ų | 178 | 172.1 Ų | 172.1 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -122.8 | 0.9 | 179.4 | -94.9 | 178.9 | -28.2 | 0 | 0 | 115.8 | ||
| 492 | Q | 40.3 | Very low | 34.1 | Very low | 178 Ų | 178 | 170.7 Ų | 170.7 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -112.5 | -0.7 | 178.8 | -78.6 | -179 | -25.2 | 0 | 0 | 115.2 | ||
| 493 | Q | 37.6 | Very low | 34.4 | Very low | 165 Ų | 165 | 171.8 Ų | 171.8 | 77% | 0.771 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -106 | 11.7 | 177.9 | -82.6 | -177 | -31.5 | 0 | 0 | 114.5 | ||
| 494 | Q | 38.3 | Very low | 34.6 | Very low | 163 Ų | 163 | 175.1 Ų | 175.1 | 76% | 0.762 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -114.5 | 5.3 | 176.9 | -76.6 | -174.3 | -36.2 | 0 | 0 | 114.8 | ||
| 495 | Q | 37.4 | Very low | 34.9 | Very low | 170 Ų | 170 | 177.2 Ų | 177.2 | 79% | 0.794 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -104.1 | -9.9 | 171.7 | -78.8 | -177.7 | -24.5 | 0 | 0 | 114.4 | ||
| 496 | Q | 39.2 | Very low | 34.9 | Very low | 165 Ų | 165 | 182.7 Ų | 182.7 | 77% | 0.771 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -95.8 | 6.5 | 178.6 | -75.8 | -175.2 | -23.9 | 0 | 0 | 114.9 | ||
| 497 | Q | 36 | Very low | 35.1 | Very low | 164 Ų | 164 | 181 Ų | 181 | 77% | 0.766 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -120.8 | 15.4 | -179.3 | -72.3 | -172.3 | -20.3 | 0 | 0 | 114.7 | ||
| 498 | Q | 36.1 | Very low | 35 | Very low | 179 Ų | 179 | 175.2 Ų | 175.2 | 84% | 0.836 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -120.1 | 8.8 | 174.7 | -78.3 | -170.8 | -20.2 | 0 | 0 | 115.3 | ||
| 499 | Q | 34.4 | Very low | 34.7 | Very low | 184 Ų | 184 | 177.8 Ų | 177.8 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -108 | 3.1 | 171.9 | -75.1 | -174.5 | -19.6 | 0 | 0 | 114.5 | ||
| 500 | Q | 36.3 | Very low | 35 | Very low | 175 Ų | 175 | 174 Ų | 174 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -102.7 | 13.5 | -179.1 | -76.4 | -171.2 | -20.2 | 0 | 0 | 115.1 | ||
| 501 | Q | 34.6 | Very low | 35.2 | Very low | 186 Ų | 186 | 167 Ų | 167 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -133.8 | 31.6 | -179.7 | -69 | -168.3 | -13.1 | 0 | 0 | 114.9 | ||
| 502 | Q | 35.5 | Very low | 35.1 | Very low | 191 Ų | 191 | 162 Ų | 162 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -134.2 | 48.7 | 166.7 | -72 | -165.3 | -7.2 | 0 | 0 | 113.1 | ||
| 503 | Q | 33.3 | Very low | 35.3 | Very low | 189 Ų | 189 | 157.3 Ų | 157.3 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -138.5 | 77.6 | 163.8 | -78.1 | -167.2 | -8.3 | 0 | 0 | 111.2 | ||||
| 504 | Q | 32.9 | Very low | 35.3 | Very low | 187 Ų | 187 | 158.7 Ų | 158.7 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | -152.8 | 144.3 | 160.8 | -105.5 | 158.6 | 33.7 | 0 | 0 | 108 | ||||
| 505 | H | 33.1 | Very low | 35.2 | Very low | 197 Ų | 197 | 158.1 Ų | 158.1 | 91% | 0.912 | 78% | 0.775 | S | S | * | * | trans | 64.8 | 76.4 | -170.3 | -62.2 | -70.6 | 0 | 0 | 0 | 117.4 | ||||
| 506 | R | 26.7 | Very low | 35.3 | Very low | 223 Ų | 223 | 155.2 Ų | 155.2 | 84% | 0.842 | 76% | 0.762 | S | S | * | * | trans | -131.3 | 147.9 | 135.9 | -173.5 | 170.3 | -74.8 | -148.7 | -0.2 | 107.3 | ||||
| 507 | P | 30.4 | Very low | 35.3 | Very low | 111 Ų | 111 | 152.5 Ų | 152.5 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | trans | -61 | 154.6 | -177.9 | -25 | 36 | 0 | 0 | 0 | 113 | E509 | P507-E509 PolarHBondContact O-N 3.1Š| ||
| 508 | S | 32.1 | Very low | 35.4 | Very low | 116 Ų | 116 | 150.8 Ų | 150.8 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | trans | -75.1 | 88 | 173.1 | 55.3 | 0 | 0 | 0 | 0 | 110.4 | V510 | S508-V510 PolarHBondContact O-N 2.71Š| ||
| 509 | E | 30.8 | Very low | 35.4 | Very low | 175 Ų | 175 | 147.3 Ų | 147.3 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 120.9 | 162.5 | -73.7 | 172.6 | 167.5 | 0 | 0 | 108.2 | P507 A511 | P507-E509 PolarHBondContact O-N 3.1Å; E509-A511 PolarHBondContact O-N 3.17Å |
| 510 | V | 38.3 | Very low | 35.5 | Very low | 129 Ų | 129 | 142.3 Ų | 142.3 | 78% | 0.782 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 124.7 | 178.9 | 178.4 | 0 | 0 | 0 | 0 | 107.4 | S508 | S508-V510 PolarHBondContact O-N 2.71Š|
| 511 | A | 38.4 | Very low | 35.4 | Very low | 83 Ų | 83 | 139.1 Ų | 139.1 | 69% | 0.686 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 125 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | E509 T513 | E509-A511 PolarHBondContact O-N 3.17Å; A511-T513 PolarHBondContact O-N 3.36Å |
| 512 | P | 36.1 | Very low | 35.3 | Very low | 73 Ų | 73 | 135.6 Ų | 135.6 | 47% | 0.474 | 70% | 0.702 | S | S | . | * | P | Polyproline II helix | trans | -60.1 | 135.1 | -170.7 | 23.6 | -34.2 | 0 | 0 | 0 | 110.2 | E516 L517 | P512-E516 HydrophobicContact CB-CB 4.15Å; P512-L517 HydrophobicContact CB-CG 4.09Å; P512-L517 HydrophobicContact CG-CD1 4.14Å; P512-L517 HydrophobicContact CG-CD2 4Å; P512-L517 HydrophobicContact CG-CG 3.81Å |
| 513 | T | 43.7 | Very low | 35.4 | Very low | 79 Ų | 79 | 135.5 Ų | 135.5 | 49% | 0.485 | 70% | 0.699 | S | S | . | * | P | Polyproline II helix | trans | -65.3 | 158.1 | -179.7 | 66.4 | 0 | 0 | 0 | 0 | 109.9 | A511 K515 E516 L517 | A511-T513 PolarHBondContact O-N 3.36Å; T513-K515 PolarHBondContact O-N 2.9Å; T513-E516 WeakPolarHBondContact CA-OE2 3.41Å; T513-E516 VanDerWaalsContact CB-OE2 3.25Å; T513-E516 WeakPolarHBondContact CB-OE2 3.33Å; T513-E516 WeakPolarHBondContact CG2-OE2 3.29Å; T513-E516 PolarHBondContact N-OE2 2.9Å; T513-E516 PolarHBondContact O-N 3.45Å; T513-E516 PolarHBondContact OG1-OE2 3.3Å; T513-L517 PolarHBondContact O-N 3Å; T513-L517 VanDerWaalsContact O-N 3.08Å |
| 514 | R | 37.2 | Very low | 35.5 | Very low | 194 Ų | 194 | 131.7 Ų | 131.7 | 73% | 0.732 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.2 | -22.4 | 179.8 | -177.1 | 173.4 | 177.1 | 166.9 | 2 | 113.9 | Q518 | R514-Q518 WeakPolarHBondContact O-CB 3.29Š|
| 515 | K | 36.1 | Very low | 35.5 | Very low | 150 Ų | 150 | 126.7 Ų | 126.7 | 65% | 0.652 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -44.5 | 176.4 | -158.7 | -178.9 | 179.1 | -170.1 | 0 | 112.3 | T513 L517 Q518 D519 | T513-K515 PolarHBondContact O-N 2.9Å; K515-L517 VanDerWaalsContact C-N 3.33Å; K515-L517 PolarHBondContact O-N 3.46Å; K515-Q518 CarbonylContact O-C 3.27Å; K515-Q518 WeakPolarHBondContact O-CA 3.35Å; K515-Q518 WeakPolarHBondContact O-CB 3.28Å; K515-Q518 PolarHBondContact O-N 3.24Å; K515-D519 PolarHBondContact O-N 2.98Å |
| 516 | E | 39.4 | Very low | 35.6 | Very low | 109 Ų | 109 | 122 Ų | 122 | 51% | 0.509 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -64 | -38.3 | 177.3 | -67.7 | 155 | 134.9 | 0 | 0 | 111.7 | P512 T513 Q518 A520 | P512-E516 HydrophobicContact CB-CB 4.15Å; T513-E516 WeakPolarHBondContact CA-OE2 3.41Å; T513-E516 VanDerWaalsContact CB-OE2 3.25Å; T513-E516 WeakPolarHBondContact CB-OE2 3.33Å; T513-E516 WeakPolarHBondContact CG2-OE2 3.29Å; T513-E516 PolarHBondContact N-OE2 2.9Å; T513-E516 PolarHBondContact O-N 3.45Å; T513-E516 PolarHBondContact OG1-OE2 3.3Å; E516-Q518 PolarHBondContact O-N 3.04Å; E516-A520 VanDerWaalsContact O-CB 3.23Å; E516-A520 WeakPolarHBondContact O-CB 3.45Å; E516-A520 PolarHBondContact O-N 2.84Å |
| 517 | L | 40.8 | Very low | 35.9 | Very low | 109 Ų | 109 | 119 Ų | 119 | 57% | 0.571 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.6 | -19.3 | 170.5 | -81.4 | 165.7 | 0 | 0 | 0 | 114.2 | P512 T513 K515 | P512-L517 HydrophobicContact CB-CG 4.09Å; P512-L517 HydrophobicContact CG-CD1 4.14Å; P512-L517 HydrophobicContact CG-CD2 4Å; P512-L517 HydrophobicContact CG-CG 3.81Å; T513-L517 PolarHBondContact O-N 3Å; T513-L517 VanDerWaalsContact O-N 3.08Å; K515-L517 VanDerWaalsContact C-N 3.33Å; K515-L517 PolarHBondContact O-N 3.46Å |
| 518 | Q | 36.9 | Very low | 36.1 | Very low | 127 Ų | 127 | 118.2 Ų | 118.2 | 59% | 0.593 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -98.1 | -31.6 | -178.6 | -168.3 | 159.5 | 36.7 | 0 | 0 | 111.8 | R514 K515 E516 A520 L521 | R514-Q518 WeakPolarHBondContact O-CB 3.29Å; K515-Q518 CarbonylContact O-C 3.27Å; K515-Q518 WeakPolarHBondContact O-CA 3.35Å; K515-Q518 WeakPolarHBondContact O-CB 3.28Å; K515-Q518 PolarHBondContact O-N 3.24Å; E516-Q518 PolarHBondContact O-N 3.04Å; Q518-A520 VanDerWaalsContact C-N 3.31Å; Q518-L521 HydrophobicContact CG-CD1 4.36Å; Q518-L521 WeakPolarHBondContact O-CD1 3.29Å; Q518-L521 WeakPolarHBondContact O-CG 2.99Å |
| 519 | D | 37.2 | Very low | 36 | Very low | 106 Ų | 106 | 116.8 Ų | 116.8 | 57% | 0.567 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -75.4 | -19 | 170.2 | -70 | -39.6 | 0 | 0 | 0 | 112.4 | K515 L521 | K515-D519 PolarHBondContact O-N 2.98Å; D519-L521 VanDerWaalsContact C-N 3.32Å |
| 520 | A | 36 | Very low | 36.2 | Very low | 80 Ų | 80 | 116.7 Ų | 116.7 | 66% | 0.661 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | 5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115 | E516 Q518 | E516-A520 VanDerWaalsContact O-CB 3.23Å; E516-A520 WeakPolarHBondContact O-CB 3.45Å; E516-A520 PolarHBondContact O-N 2.84Å; Q518-A520 VanDerWaalsContact C-N 3.31Å |
| 521 | L | 34.7 | Very low | 35.9 | Very low | 107 Ų | 107 | 118.3 Ų | 118.3 | 56% | 0.56 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -67.6 | 138.1 | 173 | -69.9 | 171.4 | 0 | 0 | 0 | 110.7 | Q518 D519 K523 | Q518-L521 HydrophobicContact CG-CD1 4.36Å; Q518-L521 WeakPolarHBondContact O-CD1 3.29Å; Q518-L521 WeakPolarHBondContact O-CG 2.99Å; D519-L521 VanDerWaalsContact C-N 3.32Å; L521-K523 PolarHBondContact O-N 3.36Å |
| 522 | P | 31.8 | Very low | 35.8 | Very low | 112 Ų | 112 | 121.5 Ų | 121.5 | 73% | 0.727 | 65% | 0.647 | S | S | * | * | trans | -62.1 | 122.9 | 174.3 | 25.8 | -33.2 | 0 | 0 | 0 | 110 | I524 | P522-I524 PolarHBondContact O-N 3.15Å; P522-I524 VanDerWaalsContact O-N 3.07Å | ||
| 523 | K | 37.1 | Very low | 35.5 | Very low | 189 Ų | 189 | 122.8 Ų | 122.8 | 82% | 0.822 | 66% | 0.657 | S | S | * | * | trans | -81.8 | 87.6 | -176.1 | -66.4 | 177.2 | -176.2 | 171.7 | 0 | 110.1 | L521 | L521-K523 PolarHBondContact O-N 3.36Š| ||
| 524 | I | 35.6 | Very low | 35.1 | Very low | 109 Ų | 109 | 131 Ų | 131 | 56% | 0.559 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 126.4 | 173.3 | -54.4 | 175.9 | 0 | 0 | 0 | 108.6 | P522 Y723 | P522-I524 PolarHBondContact O-N 3.15Å; P522-I524 VanDerWaalsContact O-N 3.07Å; I524-Y723 HydrophobicContact CG2-CE2 4.45Å |
| 525 | P | 33.9 | Very low | 35 | Very low | 83 Ų | 83 | 125.9 Ų | 125.9 | 54% | 0.539 | 67% | 0.673 | S | S | . | * | P | Polyproline II helix | trans | -67 | 150.8 | 178.9 | 27 | -34.1 | 0 | 0 | 0 | 111.7 | ||
| 526 | P | 34.9 | Very low | 35.1 | Very low | 99 Ų | 99 | 123.4 Ų | 123.4 | 64% | 0.643 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -69 | 137.8 | -178.9 | 28.3 | -34.2 | 0 | 0 | 0 | 111.9 | S528 | P526-S528 PolarHBondContact O-N 2.88Å; P526-S528 PolarHBondContact O-OG 3.22Å |
| 527 | L | 33.1 | Very low | 35.1 | Very low | 159 Ų | 159 | 125.2 Ų | 125.2 | 83% | 0.832 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -63.9 | 10.2 | -177.8 | -72.4 | 164.8 | 0 | 0 | 0 | 115.7 | S529 | L527-S529 VanDerWaalsContact C-N 3.35Å; L527-S529 PolarHBondContact O-N 3.41Å |
| 528 | S | 33.7 | Very low | 35.1 | Very low | 95 Ų | 95 | 124 Ų | 124 | 66% | 0.664 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -70.6 | -23.3 | -178.3 | 39.1 | 0 | 0 | 0 | 0 | 114.4 | P526 F530 | P526-S528 PolarHBondContact O-N 2.88Å; P526-S528 PolarHBondContact O-OG 3.22Å; S528-F530 VanDerWaalsContact C-N 3.34Å; S528-F530 PolarHBondContact O-N 2.98Å |
| 529 | S | 31.2 | Very low | 35.9 | Very low | 86 Ų | 86 | 121 Ų | 121 | 60% | 0.601 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -76.1 | -14.6 | -173.1 | -48.7 | 0 | 0 | 0 | 0 | 114.9 | L527 | L527-S529 VanDerWaalsContact C-N 3.35Å; L527-S529 PolarHBondContact O-N 3.41Å |
| 530 | F | 33.6 | Very low | 36.1 | Very low | 172 Ų | 172 | 120.7 Ų | 120.7 | 75% | 0.754 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -113.4 | 23.8 | -163.5 | -92.7 | -79.8 | 0 | 0 | 0 | 116.2 | S528 | S528-F530 VanDerWaalsContact C-N 3.34Å; S528-F530 PolarHBondContact O-N 2.98Å |
| 531 | K | 32.6 | Very low | 36.4 | Very low | 164 Ų | 164 | 124.5 Ų | 124.5 | 71% | 0.713 | 68% | 0.677 | S | S | * | * | trans | -128.8 | 73.3 | -178.7 | -70.6 | -163.4 | 175 | -171.6 | 0 | 115.5 | S533 | K531-S533 VanDerWaalsContact C-N 3.33Å; K531-S533 PolarHBondContact O-N 3.4Å | ||
| 532 | T | 36.4 | Very low | 36.8 | Very low | 150 Ų | 150 | 124.2 Ų | 124.2 | 92% | 0.92 | 67% | 0.673 | S | S | * | * | trans | -91.4 | 59.6 | 165.6 | -41.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 533 | S | 30.2 | Very low | 37.4 | Very low | 100 Ų | 100 | 120 Ų | 120 | 70% | 0.699 | 65% | 0.648 | S | S | * | * | trans | -150.6 | 135.5 | 165.4 | -172.6 | 0 | 0 | 0 | 0 | 110.4 | K531 | K531-S533 VanDerWaalsContact C-N 3.33Å; K531-S533 PolarHBondContact O-N 3.4Å | ||
| 534 | R | 34.3 | Very low | 37.8 | Very low | 250 Ų | 250 | 116.6 Ų | 116.6 | 94% | 0.943 | 63% | 0.634 | S | S | * | * | trans | -105.6 | 92.9 | 177.6 | -75.7 | -177.2 | 172.9 | 178.9 | -2.6 | 110.3 | ||||
| 535 | S | 35 | Very low | 38.4 | Very low | 87 Ų | 87 | 117 Ų | 117 | 61% | 0.608 | 64% | 0.637 | S | S | * | * | trans | -79.4 | 156 | 142.4 | 50.4 | 0 | 0 | 0 | 0 | 108.8 | F537 | S535-F537 PolarHBondContact O-N 3.32Š| ||
| 536 | A | 39.8 | Very low | 38.9 | Very low | 99 Ų | 99 | 118.5 Ų | 118.5 | 82% | 0.818 | 64% | 0.641 | S | S | * | * | trans | -72.2 | 119.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | V538 | A536-V538 PolarHBondContact O-N 2.77Š| ||
| 537 | F | 37.8 | Very low | 39.5 | Very low | 146 Ų | 146 | 118 Ų | 118 | 64% | 0.64 | 63% | 0.628 | S | S | * | * | trans | -75.3 | 112.8 | 174 | -80.8 | -96.7 | 0 | 0 | 0 | 109.3 | S535 | S535-F537 PolarHBondContact O-N 3.32Š| ||
| 538 | V | 42 | Very low | 40.1 | Very low | 83 Ų | 83 | 114.8 Ų | 114.8 | 50% | 0.503 | 61% | 0.609 | S | S | . | * | trans | -67.2 | 129.6 | 154.6 | -177.2 | 0 | 0 | 0 | 0 | 106.8 | A536 E542 A543 | A536-V538 PolarHBondContact O-N 2.77Å; V538-E542 HydrophobicContact CG1-CB 3.54Å; V538-A543 HydrophobicContact CG1-CB 4.3Å | ||
| 539 | T | 52.2 | Low | 40.7 | Very low | 65 Ų | 65 | 113.2 Ų | 113.2 | 40% | 0.399 | 60% | 0.595 | S | S | . | * | trans | -74.8 | 164.1 | 179.1 | 60.7 | 0 | 0 | 0 | 0 | 111.5 | E541 E542 A543 | T539-E541 PolarHBondContact O-N 2.95Å; T539-E542 VanDerWaalsContact CB-OE2 3.32Å; T539-E542 WeakPolarHBondContact CB-OE2 3.46Å; T539-E542 WeakPolarHBondContact CG2-OE2 3.32Å; T539-E542 PolarHBondContact N-OE2 2.83Å; T539-E542 PolarHBondContact O-N 2.69Å; T539-E542 WeakPolarHBondContact OG1-CB 3.41Å; T539-E542 VanDerWaalsContact OG1-CD 3.29Å; T539-E542 VanDerWaalsContact OG1-CG 3.28Å; T539-E542 WeakPolarHBondContact OG1-CG 3.28Å; T539-E542 PolarHBondContact OG1-N 2.82Å; T539-E542 PolarHBondContact OG1-OE2 3.33Å; T539-A543 WeakPolarHBondContact O-CB 3.41Å; T539-A543 PolarHBondContact O-N 3.41Å | ||
| 540 | L | 41.3 | Very low | 41.5 | Very low | 99 Ų | 99 | 115.2 Ų | 115.2 | 52% | 0.518 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -59.6 | -37.1 | 174.6 | -178.3 | 63.2 | 0 | 0 | 0 | 111.5 | A543 E544 | L540-A543 PolarHBondContact O-N 3.32Å; L540-E544 HydrophobicContact CD1-CG 4.32Å; L540-E544 HydrophobicContact CG-CG 4.46Å; L540-E544 WeakPolarHBondContact O-CB 3.3Å; L540-E544 WeakPolarHBondContact O-CG 3.38Å; L540-E544 PolarHBondContact O-N 3.07Å |
| 541 | E | 44.1 | Very low | 42 | Very low | 160 Ų | 160 | 108.8 Ų | 108.8 | 75% | 0.748 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.4 | -40.9 | 178.5 | -62.8 | 175.5 | 175.4 | 0 | 0 | 111.6 | T539 L545 | T539-E541 PolarHBondContact O-N 2.95Å; E541-L545 VanDerWaalsContact O-CB 3.24Å; E541-L545 WeakPolarHBondContact O-CB 3.31Å; E541-L545 PolarHBondContact O-N 3.37Å |
| 542 | E | 42.7 | Very low | 42.5 | Very low | 102 Ų | 102 | 103.8 Ų | 103.8 | 48% | 0.477 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -68.7 | -35.7 | 173.6 | -70.4 | 162.1 | 132.6 | 0 | 0 | 112.4 | V538 T539 L545 D546 | V538-E542 HydrophobicContact CG1-CB 3.54Å; T539-E542 VanDerWaalsContact CB-OE2 3.32Å; T539-E542 WeakPolarHBondContact CB-OE2 3.46Å; T539-E542 WeakPolarHBondContact CG2-OE2 3.32Å; T539-E542 PolarHBondContact N-OE2 2.83Å; T539-E542 PolarHBondContact O-N 2.69Å; T539-E542 WeakPolarHBondContact OG1-CB 3.41Å; T539-E542 VanDerWaalsContact OG1-CD 3.29Å; T539-E542 VanDerWaalsContact OG1-CG 3.28Å; T539-E542 WeakPolarHBondContact OG1-CG 3.28Å; T539-E542 PolarHBondContact OG1-N 2.82Å; T539-E542 PolarHBondContact OG1-OE2 3.33Å; E542-L545 PolarHBondContact O-N 2.85Å; E542-D546 WeakPolarHBondContact O-CB 3.48Å; E542-D546 PolarHBondContact O-N 2.93Å |
| 543 | A | 44.7 | Very low | 42.8 | Very low | 24 Ų | 24 | 100.1 Ų | 100.1 | 20% | 0.198 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -74.7 | -35.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V538 T539 L540 F547 | V538-A543 HydrophobicContact CG1-CB 4.3Å; T539-A543 WeakPolarHBondContact O-CB 3.41Å; T539-A543 PolarHBondContact O-N 3.41Å; L540-A543 PolarHBondContact O-N 3.32Å; A543-F547 WeakPolarHBondContact O-CB 3.47Å; A543-F547 PolarHBondContact O-N 2.93Å |
| 544 | E | 44.3 | Very low | 43.5 | Very low | 116 Ų | 116 | 96.7 Ų | 96.7 | 54% | 0.542 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.9 | -40 | 169 | -77.3 | -175.7 | -174.2 | 0 | 0 | 110.7 | L540 H548 | L540-E544 HydrophobicContact CD1-CG 4.32Å; L540-E544 HydrophobicContact CG-CG 4.46Å; L540-E544 WeakPolarHBondContact O-CB 3.3Å; L540-E544 WeakPolarHBondContact O-CG 3.38Å; L540-E544 PolarHBondContact O-N 3.07Å; E544-H548 WeakPolarHBondContact O-CB 3.44Å; E544-H548 PolarHBondContact O-N 2.91Å |
| 545 | L | 48.8 | Very low | 43.7 | Very low | 118 Ų | 118 | 92.5 Ų | 92.5 | 62% | 0.618 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.2 | -40.8 | 174.3 | -176.9 | 63.3 | 0 | 0 | 0 | 112.3 | E541 E542 H548 T549 | E541-L545 VanDerWaalsContact O-CB 3.24Å; E541-L545 WeakPolarHBondContact O-CB 3.31Å; E541-L545 PolarHBondContact O-N 3.37Å; E542-L545 PolarHBondContact O-N 2.85Å; L545-H548 PolarHBondContact O-N 2.84Å; L545-T549 VanDerWaalsContact O-CB 3.24Å; L545-T549 WeakPolarHBondContact O-CB 3.38Å; L545-T549 PolarHBondContact O-N 2.82Å; L545-T549 PolarHBondContact O-OG1 2.92Å |
| 546 | D | 44.8 | Very low | 44.1 | Very low | 114 Ų | 114 | 90 Ų | 90 | 61% | 0.61 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67 | -46.2 | 176.1 | -174.6 | 62.4 | 0 | 0 | 0 | 111.6 | E542 H548 T549 F550 | E542-D546 WeakPolarHBondContact O-CB 3.48Å; E542-D546 PolarHBondContact O-N 2.93Å; D546-H548 VanDerWaalsContact C-N 3.32Å; D546-H548 PolarHBondContact O-N 3.28Å; D546-T549 CarbonylContact O-C 3.56Å; D546-T549 WeakPolarHBondContact O-CB 3.4Å; D546-T549 PolarHBondContact O-N 2.81Å; D546-T549 VanDerWaalsContact O-N 3.14Å; D546-F550 WeakPolarHBondContact O-CB 3.33Å; D546-F550 PolarHBondContact O-N 3.46Å |
| 547 | F | 46.7 | Very low | 44.1 | Very low | 89 Ų | 89 | 92.7 Ų | 92.7 | 39% | 0.39 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.7 | -38 | 174.3 | -177.8 | -110.7 | 0 | 0 | 0 | 112.4 | A543 F550 I551 | A543-F547 WeakPolarHBondContact O-CB 3.47Å; A543-F547 PolarHBondContact O-N 2.93Å; F547-F550 PolarHBondContact O-N 3.32Å; F547-I551 HydrophobicContact CD1-CD1 4.05Å; F547-I551 HydrophobicContact CE1-CD1 3.5Å; F547-I551 HydrophobicContact CE2-CD1 4.14Å; F547-I551 HydrophobicContact CZ-CD1 3.56Å; F547-I551 HydrophobicContact CZ-CG1 4.47Å; F547-I551 WeakPolarHBondContact O-CG1 3.43Å; F547-I551 PolarHBondContact O-N 3.16Å |
| 548 | H | 45.8 | Very low | 43.9 | Very low | 91 Ų | 91 | 91.6 Ų | 91.6 | 42% | 0.421 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 174 | -162 | -37.2 | 0 | 0 | 0 | 111.3 | E544 L545 D546 I551 T552 | E544-H548 WeakPolarHBondContact O-CB 3.44Å; E544-H548 PolarHBondContact O-N 2.91Å; L545-H548 PolarHBondContact O-N 2.84Å; D546-H548 VanDerWaalsContact C-N 3.32Å; D546-H548 PolarHBondContact O-N 3.28Å; H548-I551 PolarHBondContact O-N 2.87Å; H548-T552 PolarHBondContact O-N 3.21Å; H548-T552 PolarHBondContact O-OG1 3.5Å |
| 549 | T | 47.2 | Very low | 43.6 | Very low | 62 Ų | 62 | 89.1 Ų | 89.1 | 38% | 0.38 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 175.2 | -61 | 0 | 0 | 0 | 0 | 111 | L545 D546 I551 T552 A553 G554 | L545-T549 VanDerWaalsContact O-CB 3.24Å; L545-T549 WeakPolarHBondContact O-CB 3.38Å; L545-T549 PolarHBondContact O-N 2.82Å; L545-T549 PolarHBondContact O-OG1 2.92Å; D546-T549 CarbonylContact O-C 3.56Å; D546-T549 WeakPolarHBondContact O-CB 3.4Å; D546-T549 PolarHBondContact O-N 2.81Å; D546-T549 VanDerWaalsContact O-N 3.14Å; T549-I551 VanDerWaalsContact C-N 3.31Å; T549-I551 PolarHBondContact O-N 2.93Å; T549-T552 PolarHBondContact O-N 2.98Å; T549-A553 HydrophobicContact CG2-CB 4.21Å; T549-A553 CarbonylContact O-C 3.57Å; T549-A553 VanDerWaalsContact O-CA 3.31Å; T549-A553 WeakPolarHBondContact O-CA 3.49Å; T549-A553 PolarHBondContact O-N 2.81Å; T549-G554 PolarHBondContact O-N 3.43Å |
| 550 | F | 46.8 | Very low | 42.9 | Very low | 129 Ų | 129 | 92.4 Ų | 92.4 | 57% | 0.566 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -58.9 | -41.3 | 173.4 | 175.9 | -99 | 0 | 0 | 0 | 111.9 | D546 F547 G554 | D546-F550 WeakPolarHBondContact O-CB 3.33Å; D546-F550 PolarHBondContact O-N 3.46Å; F547-F550 PolarHBondContact O-N 3.32Å; F550-G554 WeakPolarHBondContact O-CA 3.36Å; F550-G554 PolarHBondContact O-N 3.5Å |
| 551 | I | 44 | Very low | 42.7 | Very low | 36 Ų | 36 | 90.4 Ų | 90.4 | 19% | 0.185 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -71.1 | -42 | 178.6 | -76 | 179 | 0 | 0 | 0 | 113 | F547 H548 T549 V561 | F547-I551 HydrophobicContact CD1-CD1 4.05Å; F547-I551 HydrophobicContact CE1-CD1 3.5Å; F547-I551 HydrophobicContact CE2-CD1 4.14Å; F547-I551 HydrophobicContact CZ-CD1 3.56Å; F547-I551 HydrophobicContact CZ-CG1 4.47Å; F547-I551 WeakPolarHBondContact O-CG1 3.43Å; F547-I551 PolarHBondContact O-N 3.16Å; H548-I551 PolarHBondContact O-N 2.87Å; T549-I551 VanDerWaalsContact C-N 3.31Å; T549-I551 PolarHBondContact O-N 2.93Å; I551-V561 HydrophobicContact CG2-CG2 3.76Å |
| 552 | T | 42.9 | Very low | 42.6 | Very low | 60 Ų | 60 | 86.2 Ų | 86.2 | 37% | 0.368 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -95 | -37.3 | -173.4 | 57.1 | 0 | 0 | 0 | 0 | 114.6 | H548 T549 | H548-T552 PolarHBondContact O-N 3.21Å; H548-T552 PolarHBondContact O-OG1 3.5Å; T549-T552 PolarHBondContact O-N 2.98Å |
| 553 | A | 42.6 | Very low | 42.3 | Very low | 72 Ų | 72 | 90 Ų | 90 | 60% | 0.595 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -123.4 | -2.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | T549 | T549-A553 HydrophobicContact CG2-CB 4.21Å; T549-A553 CarbonylContact O-C 3.57Å; T549-A553 VanDerWaalsContact O-CA 3.31Å; T549-A553 WeakPolarHBondContact O-CA 3.49Å; T549-A553 PolarHBondContact O-N 2.81Å |
| 554 | G | 45.3 | Very low | 41.7 | Very low | 28 Ų | 28 | 96 Ų | 96 | 29% | 0.289 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -56.3 | 155.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | T549 F550 G556 | T549-G554 PolarHBondContact O-N 3.43Å; F550-G554 WeakPolarHBondContact O-CA 3.36Å; F550-G554 PolarHBondContact O-N 3.5Å; G554-G556 VanDerWaalsContact C-N 3.26Å; G554-G556 PolarHBondContact O-N 3.13Å |
| 555 | L | 39.1 | Very low | 41.3 | Very low | 163 Ų | 163 | 98 Ų | 98 | 85% | 0.853 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -66.5 | 69.8 | -171.2 | -67.5 | 170.3 | 0 | 0 | 0 | 113.7 | ||
| 556 | G | 42.8 | Very low | 40.5 | Very low | 35 Ų | 35 | 102.7 Ų | 102.7 | 36% | 0.361 | 51% | 0.513 | S | S | . | . | S | Bend | trans | 179.4 | 45.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | K56 G554 | K56-G556 PolarHBondContact NZ-O 2.99Å; G554-G556 VanDerWaalsContact C-N 3.26Å; G554-G556 PolarHBondContact O-N 3.13Å |
| 557 | R | 41.2 | Very low | 39.9 | Very low | 154 Ų | 154 | 99.4 Ų | 99.4 | 58% | 0.581 | 51% | 0.507 | S | S | * | . | trans | 57.1 | 137.3 | 178.3 | -64.5 | -172.8 | -177 | 177.4 | 5.2 | 116 | E19 K56 | E19-R557 IonicContact OE1-NH1 3.77Å; E19-R557 IonicContact OE2-CZ 3.29Å; E19-R557 IonicContact OE2-NH1 3.14Å; E19-R557 PolarHBondContact OE2-NH1 3.17Å; E19-R557 IonicContact OE2-NH2 3.1Å; E19-R557 PolarHBondContact OE2-NH2 3.37Å; K56-R557 PolarHBondContact NZ-O 3.1Å | ||
| 558 | T | 32.7 | Very low | 39.3 | Very low | 123 Ų | 123 | 107.2 Ų | 107.2 | 76% | 0.755 | 53% | 0.534 | S | S | * | . | trans | -57.4 | 136.5 | 175.4 | 44.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 559 | V | 36.4 | Very low | 38.6 | Very low | 32 Ų | 32 | 111.6 Ų | 111.6 | 19% | 0.194 | 55% | 0.554 | C | S | . | * | trans | -136.8 | 134.7 | 172.1 | 169.5 | 0 | 0 | 0 | 0 | 107.8 | K56 V561 | K56-V559 HydrophobicContact CD-CG2 4.17Å; V559-V561 PolarHBondContact O-N 3.01Å | ||
| 560 | E | 36.5 | Very low | 38 | Very low | 134 Ų | 134 | 114.8 Ų | 114.8 | 63% | 0.626 | 58% | 0.579 | S | S | * | * | trans | -75.6 | 114.5 | 177.5 | -169.5 | -175.3 | -173.7 | 0 | 0 | 110 | I562 | E560-I562 HydrophobicContact CG-CD1 4.35Å; E560-I562 HydrophobicContact CG-CG1 3.8Å; E560-I562 PolarHBondContact O-N 2.93Å | ||
| 561 | V | 37.9 | Very low | 37.5 | Very low | 57 Ų | 57 | 112 Ų | 112 | 35% | 0.345 | 59% | 0.586 | S | S | . | * | trans | -99.6 | 83 | 177.7 | -176 | 0 | 0 | 0 | 0 | 109.1 | I551 V559 R563 | I551-V561 HydrophobicContact CG2-CG2 3.76Å; V559-V561 PolarHBondContact O-N 3.01Å; V561-R563 HydrophobicContact CG1-CG 4.23Å; V561-R563 PolarHBondContact O-N 2.66Å; V561-R563 VanDerWaalsContact O-N 3.13Å | ||
| 562 | I | 41.8 | Very low | 36.7 | Very low | 71 Ų | 71 | 117.7 Ų | 117.7 | 36% | 0.364 | 62% | 0.617 | S | S | . | * | trans | -70.7 | 106 | 177.3 | -53.5 | 179 | 0 | 0 | 0 | 108.6 | E560 E564 | E560-I562 HydrophobicContact CG-CD1 4.35Å; E560-I562 HydrophobicContact CG-CG1 3.8Å; E560-I562 PolarHBondContact O-N 2.93Å; I562-E564 VanDerWaalsContact CG2-O 3.29Å; I562-E564 WeakPolarHBondContact CG2-O 3.39Å | ||
| 563 | R | 35.1 | Very low | 36.4 | Very low | 181 Ų | 181 | 124.4 Ų | 124.4 | 68% | 0.683 | 65% | 0.645 | S | S | * | * | trans | -88.3 | -22.3 | 178.7 | -68.6 | -173 | 177.5 | 177.9 | 0.7 | 114.1 | V561 | V561-R563 HydrophobicContact CG1-CG 4.23Å; V561-R563 PolarHBondContact O-N 2.66Å; V561-R563 VanDerWaalsContact O-N 3.13Å | ||
| 564 | E | 33.3 | Very low | 35.9 | Very low | 152 Ų | 152 | 127.1 Ų | 127.1 | 71% | 0.71 | 65% | 0.654 | S | S | * | * | trans | -124.6 | 125.6 | 173.9 | -71.7 | -169.1 | -164.3 | 0 | 0 | 110.8 | I562 | I562-E564 VanDerWaalsContact CG2-O 3.29Å; I562-E564 WeakPolarHBondContact CG2-O 3.39Å | ||
| 565 | F | 35.3 | Very low | 35 | Very low | 156 Ų | 156 | 129 Ų | 129 | 68% | 0.684 | 67% | 0.673 | S | S | * | * | trans | -114.4 | 94.8 | 166.9 | -176.2 | -98.7 | 0 | 0 | 0 | 109.3 | G567 | F565-G567 PolarHBondContact O-N 3.41Š| ||
| 566 | R | 32.3 | Very low | 34.4 | Very low | 217 Ų | 217 | 132.4 Ų | 132.4 | 82% | 0.819 | 68% | 0.676 | S | S | * | * | trans | -70.4 | 121.4 | 160.7 | -68 | -169.6 | -175.4 | -164.9 | 2.3 | 107.8 | ||||
| 567 | G | 32.8 | Very low | 33.7 | Very low | 46 Ų | 46 | 137.6 Ų | 137.6 | 47% | 0.474 | 70% | 0.696 | S | S | . | * | trans | -54.6 | 145.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | F565 E569 | F565-G567 PolarHBondContact O-N 3.41Å; G567-E569 PolarHBondContact O-N 3.35Å | ||
| 568 | R | 32.7 | Very low | 32.9 | Very low | 252 Ų | 252 | 138.6 Ų | 138.6 | 95% | 0.951 | 71% | 0.707 | S | S | * | * | trans | -75.3 | 68.5 | -175 | -167.1 | -174 | -176.6 | 179.7 | 2.8 | 111.7 | ||||
| 569 | E | 31.7 | Very low | 32.5 | Very low | 183 Ų | 183 | 140.5 Ų | 140.5 | 86% | 0.855 | 71% | 0.707 | S | S | * | * | trans | -70.1 | 157.1 | 167 | -63.2 | -160.1 | 150.5 | 0 | 0 | 110.9 | G567 G571 | G567-E569 PolarHBondContact O-N 3.35Å; E569-G571 PolarHBondContact O-N 3.2Å | ||
| 570 | S | 35.3 | Very low | 32 | Very low | 129 Ų | 129 | 145.5 Ų | 145.5 | 90% | 0.902 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -79.6 | 105.1 | -161.6 | -61.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 571 | G | 36.3 | Very low | 31.4 | Very low | 70 Ų | 70 | 144.4 Ų | 144.4 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | trans | 77.1 | 78.2 | 146.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | E569 | E569-G571 PolarHBondContact O-N 3.2Š| ||
| 572 | D | 26.5 | Very low | 30.8 | Very low | 156 Ų | 156 | 149.4 Ų | 149.4 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | trans | -143.5 | 107.9 | 149.5 | -108.8 | -34.3 | 0 | 0 | 0 | 109.3 | T574 | D572-T574 VanDerWaalsContact C-N 3.31Å; D572-T574 PolarHBondContact O-N 2.77Å | ||
| 573 | E | 36.8 | Very low | 30.1 | Very low | 201 Ų | 201 | 154.8 Ų | 154.8 | 94% | 0.939 | 78% | 0.782 | S | S | * | * | trans | -82.7 | 66.3 | -176.8 | -70 | -169.3 | 142 | 0 | 0 | 112.4 | ||||
| 574 | T | 32.8 | Very low | 29.9 | Very low | 130 Ų | 130 | 154 Ų | 154 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | trans | -138.9 | 65.8 | 169.1 | 44.4 | 0 | 0 | 0 | 0 | 112.9 | D572 | D572-T574 VanDerWaalsContact C-N 3.31Å; D572-T574 PolarHBondContact O-N 2.77Å | ||
| 575 | G | 26.7 | Very low | 29.8 | Very low | 67 Ų | 67 | 154.4 Ų | 154.4 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | trans | -119.5 | 123.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | N577 | G575-N577 PolarHBondContact O-N 3.03Š| ||
| 576 | Y | 25.2 | Very low | 29.8 | Very low | 234 Ų | 234 | 151 Ų | 151 | 92% | 0.918 | 81% | 0.807 | S | S | * | * | trans | -80.7 | 110.2 | 172.8 | -81.4 | -99.7 | 0 | 0 | 0 | 109.8 | ||||
| 577 | N | 27.6 | Very low | 29.6 | Very low | 144 Ų | 144 | 145.3 Ų | 145.3 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | trans | -89.6 | 111.2 | 164.9 | -76.7 | 2.5 | 0 | 0 | 0 | 109.1 | G575 H579 | G575-N577 PolarHBondContact O-N 3.03Å; N577-H579 PolarHBondContact O-N 3.2Å; N577-H579 VanDerWaalsContact O-N 3.08Å | ||
| 578 | E | 25.1 | Very low | 29.5 | Very low | 176 Ų | 176 | 148.5 Ų | 148.5 | 82% | 0.822 | 83% | 0.828 | S | S | * | * | trans | -77.1 | 91.4 | 173.2 | -68.7 | -163 | 140.7 | 0 | 0 | 111.3 | I580 | E578-I580 PolarHBondContact O-N 3.26Š| ||
| 579 | H | 24.5 | Very low | 29.2 | Very low | 163 Ų | 163 | 140.6 Ų | 140.6 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | trans | -81 | 89.1 | 167.9 | -96.6 | -76.7 | 0 | 0 | 0 | 110.9 | N577 T581 | N577-H579 PolarHBondContact O-N 3.2Å; N577-H579 VanDerWaalsContact O-N 3.08Å; H579-T581 PolarHBondContact O-N 3.19Å | ||
| 580 | I | 25.1 | Very low | 28.9 | Very low | 136 Ų | 136 | 140.6 Ų | 140.6 | 70% | 0.697 | 82% | 0.822 | S | S | * | * | trans | -79.8 | 111.9 | 168.7 | -58.7 | 178.7 | 0 | 0 | 0 | 108.8 | E578 L582 | E578-I580 PolarHBondContact O-N 3.26Å; I580-L582 HydrophobicContact CG2-CG 4.3Å | ||
| 581 | T | 24 | Very low | 28.3 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 69% | 0.687 | 82% | 0.815 | S | S | * | * | trans | -120.7 | 112.2 | 170.2 | -51 | 0 | 0 | 0 | 0 | 108.2 | H579 | H579-T581 PolarHBondContact O-N 3.19Š| ||
| 582 | L | 26.5 | Very low | 27.8 | Very low | 161 Ų | 161 | 146.7 Ų | 146.7 | 84% | 0.843 | 83% | 0.826 | S | S | * | * | trans | -99.1 | 124 | 172.1 | -68 | 172.1 | 0 | 0 | 0 | 108.8 | I580 | I580-L582 HydrophobicContact CG2-CG 4.3Š| ||
| 583 | Q | 25.8 | Very low | 27.7 | Very low | 184 Ų | 184 | 144.3 Ų | 144.3 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | trans | -97.1 | 134.8 | 162.5 | -73.4 | -175.9 | -23 | 0 | 0 | 108 | D585 | Q583-D585 PolarHBondContact O-N 3.38Š| ||
| 584 | D | 32.8 | Very low | 27 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | trans | -93 | 94.8 | -176.4 | -171.3 | 24.4 | 0 | 0 | 0 | 109.9 | ||||
| 585 | D | 29.5 | Very low | 26.6 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | trans | -154.1 | 124.7 | 164.2 | -122.4 | -30.3 | 0 | 0 | 0 | 110.2 | Q583 A587 | Q583-D585 PolarHBondContact O-N 3.38Å; D585-A587 PolarHBondContact O-N 2.82Å; D585-A587 VanDerWaalsContact O-N 3.15Å | ||
| 586 | G | 36.4 | Very low | 26.5 | Very low | 85 Ų | 85 | 148.9 Ų | 148.9 | 88% | 0.876 | 82% | 0.82 | S | S | * | * | trans | -86.3 | 84.6 | -160.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 587 | A | 26.9 | Very low | 26.4 | Very low | 96 Ų | 96 | 146.3 Ų | 146.3 | 79% | 0.793 | 82% | 0.821 | S | S | * | * | trans | -147.5 | 132.7 | 164 | 0 | 0 | 0 | 0 | 0 | 113.1 | D585 A589 | D585-A587 PolarHBondContact O-N 2.82Å; D585-A587 VanDerWaalsContact O-N 3.15Å; A587-A589 PolarHBondContact O-N 2.99Å | ||
| 588 | A | 32.1 | Very low | 26.3 | Very low | 113 Ų | 113 | 146.4 Ų | 146.4 | 93% | 0.934 | 82% | 0.817 | S | S | * | * | trans | -84.6 | 110.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 589 | A | 24.9 | Very low | 26.3 | Very low | 86 Ų | 86 | 143.2 Ų | 143.2 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | trans | -147.2 | 119 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | A587 | A587-A589 PolarHBondContact O-N 2.99Š| ||
| 590 | L | 25.8 | Very low | 26.4 | Very low | 184 Ų | 184 | 143.4 Ų | 143.4 | 96% | 0.963 | 82% | 0.82 | S | S | * | * | trans | -85 | 111.4 | 171.6 | -89.6 | 165.1 | 0 | 0 | 0 | 110.1 | ||||
| 591 | T | 24 | Very low | 26.5 | Very low | 124 Ų | 124 | 141.2 Ų | 141.2 | 76% | 0.761 | 82% | 0.817 | S | S | * | * | trans | -127.3 | 114.4 | 171.3 | 35.5 | 0 | 0 | 0 | 0 | 111.1 | S593 | T591-S593 PolarHBondContact O-N 2.75Š| ||
| 592 | Q | 24.8 | Very low | 26.5 | Very low | 202 Ų | 202 | 143.1 Ų | 143.1 | 94% | 0.944 | 82% | 0.823 | S | S | * | * | trans | -82.6 | 98.2 | 171.1 | -72.3 | -177.1 | -20.1 | 0 | 0 | 110.1 | S594 | Q592-S594 PolarHBondContact O-N 3.18Š| ||
| 593 | S | 23.6 | Very low | 26.5 | Very low | 107 Ų | 107 | 141 Ų | 141 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | trans | -86.7 | 92.9 | 169.9 | 53.9 | 0 | 0 | 0 | 0 | 110.6 | T591 E595 | T591-S593 PolarHBondContact O-N 2.75Å; S593-E595 PolarHBondContact O-N 3.41Å | ||
| 594 | S | 23.2 | Very low | 26.5 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | trans | -84.6 | 90.6 | 171.1 | -169.3 | 0 | 0 | 0 | 0 | 110.5 | Q592 R596 | Q592-S594 PolarHBondContact O-N 3.18Å; S594-R596 PolarHBondContact O-N 3.11Å; S594-R596 VanDerWaalsContact O-N 3.13Å | ||
| 595 | E | 24.6 | Very low | 26.2 | Very low | 186 Ų | 186 | 135.6 Ų | 135.6 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | trans | -76.4 | 98.3 | 171.7 | -69.4 | -144.2 | 136.2 | 0 | 0 | 111 | S593 L597 | S593-E595 PolarHBondContact O-N 3.41Å; E595-L597 PolarHBondContact O-N 2.68Å | ||
| 596 | R | 23.4 | Very low | 26 | Very low | 194 Ų | 194 | 133.2 Ų | 133.2 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | trans | -88.4 | 91.8 | 179.5 | -169.6 | -169.1 | -161.5 | -174.3 | 9.5 | 110.1 | S594 Q598 | S594-R596 PolarHBondContact O-N 3.11Å; S594-R596 VanDerWaalsContact O-N 3.13Å; R596-Q598 HydrophobicContact CG-CG 4.05Å; R596-Q598 PolarHBondContact O-N 2.73Å | ||
| 597 | L | 24 | Very low | 25.4 | Very low | 179 Ų | 179 | 136.4 Ų | 136.4 | 94% | 0.937 | 81% | 0.81 | S | S | * | * | trans | -61.1 | 94.8 | 170.8 | -83.6 | 168.8 | 0 | 0 | 0 | 110.8 | E595 | E595-L597 PolarHBondContact O-N 2.68Š| ||
| 598 | Q | 26 | Very low | 25.4 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 68% | 0.682 | 81% | 0.805 | S | S | * | * | trans | -91.9 | 119.1 | 168.7 | -64.7 | -164.5 | -96.5 | 0 | 0 | 109.5 | R596 | R596-Q598 HydrophobicContact CG-CG 4.05Å; R596-Q598 PolarHBondContact O-N 2.73Å | ||
| 599 | S | 25 | Very low | 25 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -60.5 | 143.5 | 160 | 54.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 600 | L | 26.6 | Very low | 25 | Very low | 167 Ų | 167 | 138 Ų | 138 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -168.3 | 160.5 | 135.6 | -105 | 165.9 | 0 | 0 | 0 | 113.1 | ||||
| 601 | S | 25.9 | Very low | 24.9 | Very low | 91 Ų | 91 | 140.5 Ų | 140.5 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | trans | -53.4 | 157.2 | -175.5 | 51.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 602 | D | 24.7 | Very low | 25.7 | Very low | 152 Ų | 152 | 139.5 Ų | 139.5 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | 10.1 | 123.8 | 142.3 | -58.1 | -29.9 | 0 | 0 | 0 | 118.9 | ||||
| 603 | S | 26.1 | Very low | 25.7 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | 172.1 | 159.4 | 98.8 | 47.9 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 604 | S | 25.8 | Very low | 25.7 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | -24 | 141.1 | 172.7 | 54.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 605 | S | 25.9 | Very low | 25.9 | Very low | 132 Ų | 132 | 138.5 Ų | 138.5 | 92% | 0.923 | 79% | 0.786 | S | S | * | * | -176.7 | -173.7 | 113.5 | 49.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 606 | S | 26.3 | Very low | 26 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | -112.9 | 139.1 | -152.6 | 52.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 607 | D | 24.4 | Very low | 26 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | 70.8 | 163.1 | 129 | -156.4 | 17.3 | 0 | 0 | 0 | 121.3 | |||||
| 608 | V | 26.9 | Very low | 26.2 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 70% | 0.697 | 76% | 0.761 | S | S | * | * | trans | 73.1 | 79.8 | 165.2 | -158.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 609 | G | 22.8 | Very low | 26.3 | Very low | 73 Ų | 73 | 128.1 Ų | 128.1 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | 82.5 | -178.8 | 103.8 | 0 | 0 | 0 | 0 | 0 | 123 | |||||
| 610 | V | 26.1 | Very low | 26.5 | Very low | 141 Ų | 141 | 131 Ų | 131 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | trans | 79.2 | 98.8 | 168.4 | -168.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 611 | R | 23.1 | Very low | 26.6 | Very low | 236 Ų | 236 | 127 Ų | 127 | 89% | 0.891 | 76% | 0.755 | S | S | * | * | trans | -77.4 | 165.5 | 149.4 | -113.5 | -179.2 | -176.2 | -168 | 0.7 | 109.1 | ||||
| 612 | P | 39.6 | Very low | 26.7 | Very low | 102 Ų | 102 | 128.7 Ų | 128.7 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | -164.6 | -171.6 | 67.9 | 47.5 | -25.3 | 0 | 0 | 0 | 119.3 | |||||
| 613 | E | 25.4 | Very low | 26.7 | Very low | 189 Ų | 189 | 129.1 Ų | 129.1 | 88% | 0.883 | 75% | 0.75 | S | S | * | * | trans | 66.2 | 145.3 | 161.5 | -57.3 | -176.7 | 179.2 | 0 | 0 | 119.8 | ||||
| 614 | G | 24.7 | Very low | 26.7 | Very low | 60 Ų | 60 | 129.5 Ų | 129.5 | 62% | 0.619 | 74% | 0.737 | S | S | * | * | cis | -148.9 | 150.2 | -6.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 615 | L | 25.6 | Very low | 26.7 | Very low | 153 Ų | 153 | 131.1 Ų | 131.1 | 80% | 0.801 | 74% | 0.743 | S | S | * | * | 57.4 | 140.9 | 83.7 | -83.9 | 92.3 | 0 | 0 | 0 | 114.7 | |||||
| 616 | H | 27.3 | Very low | 26.7 | Very low | 150 Ų | 150 | 130 Ų | 130 | 69% | 0.694 | 73% | 0.73 | S | S | * | * | cis | -103.2 | -168.1 | 0 | -74.6 | -119.4 | 0 | 0 | 0 | 110.4 | ||||
| 617 | E | 24.6 | Very low | 26.6 | Very low | 144 Ų | 144 | 134.2 Ų | 134.2 | 67% | 0.673 | 74% | 0.735 | S | S | * | * | cis | -152 | 158.7 | -7.1 | -145.3 | 61.9 | -64.9 | 0 | 0 | 104.3 | ||||
| 618 | A | 28.4 | Very low | 26.6 | Very low | 76 Ų | 76 | 134.5 Ų | 134.5 | 63% | 0.628 | 73% | 0.729 | S | S | * | * | cis | 72.5 | 151.4 | 25.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 619 | T | 27.8 | Very low | 26.6 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 72% | 0.718 | 73% | 0.732 | S | S | * | * | cis | -85.4 | -159.1 | -11.5 | 53.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 620 | E | 27.6 | Very low | 26.7 | Very low | 170 Ų | 170 | 136.3 Ų | 136.3 | 79% | 0.794 | 73% | 0.727 | S | S | * | * | cis | -156.8 | -178.2 | -1.5 | -139.1 | 153.3 | -71.9 | 0 | 0 | 106.4 | ||||
| 621 | A | 29.6 | Very low | 26.6 | Very low | 84 Ų | 84 | 136.6 Ų | 136.6 | 69% | 0.694 | 73% | 0.729 | S | S | * | * | cis | -151.7 | -144.5 | 7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 622 | E | 27.9 | Very low | 26.7 | Very low | 126 Ų | 126 | 129.1 Ų | 129.1 | 59% | 0.589 | 73% | 0.725 | S | S | * | * | trans | -144.6 | 163 | -178.5 | -120 | -172.8 | -142.5 | 0 | 0 | 109.3 | K624 | E622-K624 VanDerWaalsContact CD-CE 3.48Å; E622-K624 HydrophobicContact CG-CB 4.22Å; E622-K624 HydrophobicContact CG-CD 4.44Å; E622-K624 WeakPolarHBondContact OE1-CE 3.5Å; E622-K624 IonicContact OE1-NZ 2.64Å; E622-K624 PolarHBondContact OE1-NZ 2.71Å; E622-K624 WeakPolarHBondContact OE2-CD 3.46Å; E622-K624 WeakPolarHBondContact OE2-CE 2.99Å; E622-K624 IonicContact OE2-NZ 2.79Å; E622-K624 PolarHBondContact OE2-NZ 2.79Å | ||
| 623 | Q | 25.5 | Very low | 26 | Very low | 160 Ų | 160 | 129.9 Ų | 129.9 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | cis | -136.1 | 157.2 | 23.6 | -78.4 | -154.1 | -27.7 | 0 | 0 | 113.5 | ||||
| 624 | K | 25 | Very low | 26 | Very low | 124 Ų | 124 | 125.4 Ų | 125.4 | 54% | 0.539 | 73% | 0.728 | S | S | . | * | cis | 101.1 | 96.4 | 18.1 | -172.7 | -154 | -123.1 | 163.9 | 0 | 115.5 | E622 V626 | E622-K624 VanDerWaalsContact CD-CE 3.48Å; E622-K624 HydrophobicContact CG-CB 4.22Å; E622-K624 HydrophobicContact CG-CD 4.44Å; E622-K624 WeakPolarHBondContact OE1-CE 3.5Å; E622-K624 IonicContact OE1-NZ 2.64Å; E622-K624 PolarHBondContact OE1-NZ 2.71Å; E622-K624 WeakPolarHBondContact OE2-CD 3.46Å; E622-K624 WeakPolarHBondContact OE2-CE 2.99Å; E622-K624 IonicContact OE2-NZ 2.79Å; E622-K624 PolarHBondContact OE2-NZ 2.79Å; K624-V626 HydrophobicContact CG-CG2 4.21Å | ||
| 625 | T | 25.5 | Very low | 25.9 | Very low | 140 Ų | 140 | 128.3 Ų | 128.3 | 86% | 0.859 | 74% | 0.739 | S | S | * | * | trans | -154.3 | 125.7 | 148.6 | 40.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 626 | V | 26.8 | Very low | 25.9 | Very low | 108 Ų | 108 | 125.4 Ų | 125.4 | 66% | 0.655 | 74% | 0.738 | S | S | * | * | cis | 87.5 | 104 | 27.9 | -175.4 | 0 | 0 | 0 | 0 | 114.4 | K624 | K624-V626 HydrophobicContact CG-CG2 4.21Š| ||
| 627 | F | 24 | Very low | 25.9 | Very low | 197 Ų | 197 | 124.6 Ų | 124.6 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | -165.3 | 169.7 | 119.8 | -115.1 | -78.9 | 0 | 0 | 0 | 113.6 | |||||
| 628 | K | 25.5 | Very low | 26.2 | Very low | 160 Ų | 160 | 123.2 Ų | 123.2 | 70% | 0.696 | 75% | 0.746 | S | S | * | * | trans | -154.8 | 163 | -165.3 | -78.3 | -176.7 | 167.3 | -128.5 | 0 | 109.5 | ||||
| 629 | H | 27.1 | Very low | 26.1 | Very low | 163 Ų | 163 | 128.8 Ų | 128.8 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | cis | -164.2 | 167.7 | -7 | -105.9 | -25.5 | 0 | 0 | 0 | 108.2 | ||||
| 630 | G | 23.8 | Very low | 26 | Very low | 63 Ų | 63 | 127.6 Ų | 127.6 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | trans | 164.6 | 165.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 631 | T | 25 | Very low | 25.8 | Very low | 146 Ų | 146 | 124.9 Ų | 124.9 | 90% | 0.896 | 75% | 0.752 | S | S | * | * | -172.9 | 128.1 | -78.9 | 31.6 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 632 | G | 25.1 | Very low | 25.6 | Very low | 79 Ų | 79 | 125.4 Ų | 125.4 | 81% | 0.814 | 76% | 0.757 | S | S | * | * | trans | 81.6 | 164.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 633 | S | 24.6 | Very low | 25.5 | Very low | 118 Ų | 118 | 124.2 Ų | 124.2 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | cis | -172.3 | 140 | -18.1 | 50.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 634 | A | 25.1 | Very low | 25.4 | Very low | 95 Ų | 95 | 119.8 Ų | 119.8 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | 61.2 | 120.4 | 148.4 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 635 | S | 23.2 | Very low | 25.4 | Very low | 122 Ų | 122 | 118.3 Ų | 118.3 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | 55.8 | 128.7 | 125.9 | -161.4 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 636 | A | 24.9 | Very low | 25.4 | Very low | 92 Ų | 92 | 122 Ų | 122 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | 177.7 | 161.8 | 122.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 637 | V | 26.5 | Very low | 25.2 | Very low | 132 Ų | 132 | 123.2 Ų | 123.2 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | trans | -143 | 134.8 | 177.4 | 173.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 638 | P | 32.2 | Very low | 25.3 | Very low | 116 Ų | 116 | 122.4 Ų | 122.4 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | -135.7 | 155.1 | 128.6 | 23.2 | -2.6 | 0 | 0 | 0 | 111.5 | |||||
| 639 | K | 25.7 | Very low | 25.2 | Very low | 193 Ų | 193 | 121.8 Ų | 121.8 | 84% | 0.839 | 76% | 0.764 | S | S | * | * | 63.8 | 136.9 | 53.5 | -70.1 | -172 | 177.3 | -178.2 | 0 | 113.9 | |||||
| 640 | S | 25.1 | Very low | 25.1 | Very low | 92 Ų | 92 | 120.2 Ų | 120.2 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | cis | -174 | 174.7 | -7.1 | 50.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 641 | S | 24.7 | Very low | 25 | Very low | 112 Ų | 112 | 121.7 Ų | 121.7 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | 65.7 | 165.1 | 146.9 | 44.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 642 | A | 25.3 | Very low | 25 | Very low | 95 Ų | 95 | 120.2 Ų | 120.2 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | cis | 176.7 | 171 | -24.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 643 | A | 24.6 | Very low | 25 | Very low | 101 Ų | 101 | 121.7 Ų | 121.7 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | cis | -170.9 | 163.3 | -35.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 644 | G | 24.1 | Very low | 25 | Very low | 68 Ų | 68 | 123.4 Ų | 123.4 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | trans | -178.6 | 124.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 645 | V | 25.6 | Very low | 25 | Very low | 92 Ų | 92 | 125.1 Ų | 125.1 | 56% | 0.558 | 75% | 0.75 | S | S | * | * | cis | 72.3 | 127.9 | 25.6 | -154 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 646 | Y | 23.7 | Very low | 25.1 | Very low | 218 Ų | 218 | 131.1 Ų | 131.1 | 86% | 0.855 | 75% | 0.754 | S | S | * | * | cis | -142.5 | 180 | 31.9 | -67.3 | -98.6 | 0 | 0 | 0 | 112.4 | ||||
| 647 | E | 24.1 | Very low | 25.1 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 62% | 0.621 | 75% | 0.751 | S | S | * | * | -171.3 | 148.1 | -55.4 | -139.1 | 81.1 | -46.7 | 0 | 0 | 111.9 | |||||
| 648 | Q | 24.6 | Very low | 25.6 | Very low | 181 Ų | 181 | 130 Ų | 130 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | trans | 66.7 | 155.3 | 152.9 | -83.4 | 176.2 | -17.6 | 0 | 0 | 123.2 | ||||
| 649 | E | 24.2 | Very low | 25.4 | Very low | 147 Ų | 147 | 130.5 Ų | 130.5 | 69% | 0.687 | 75% | 0.752 | S | S | * | * | cis | -96.9 | -121.4 | 12.7 | -158.3 | -158.8 | 99.4 | 0 | 0 | 115.1 | C651 | E649-C651 WeakPolarHBondContact OE1-CB 3.33Å; E649-C651 PolarHBondContact OE1-N 2.83Å | ||
| 650 | T | 24.6 | Very low | 25.3 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | cis | -145.8 | 142.6 | 5.2 | -54 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 651 | C | 22.5 | Very low | 25.8 | Very low | 93 Ų | 93 | 131.5 Ų | 131.5 | 63% | 0.628 | 76% | 0.76 | S | S | * | * | trans | -76.1 | 161.9 | 180 | -126.9 | 0 | 0 | 0 | 0 | 114.3 | E649 | E649-C651 WeakPolarHBondContact OE1-CB 3.33Å; E649-C651 PolarHBondContact OE1-N 2.83Å | ||
| 652 | T | 23.6 | Very low | 25.8 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | cis | -145.2 | 135.2 | 22.5 | 52.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 653 | T | 25.1 | Very low | 25.8 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 68% | 0.681 | 76% | 0.756 | S | S | * | * | trans | 44.2 | 137.6 | 138.4 | 65 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 654 | N | 26.1 | Very low | 25.9 | Very low | 153 Ų | 153 | 136.4 Ų | 136.4 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | 100 | 160.1 | 136.8 | -74.1 | -3.1 | 0 | 0 | 0 | 121.8 | ||||
| 655 | T | 24.4 | Very low | 26 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | trans | -143.6 | 157.1 | -143.4 | -34.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 656 | R | 25.5 | Very low | 26.1 | Very low | 247 Ų | 247 | 139.9 Ų | 139.9 | 93% | 0.932 | 75% | 0.752 | S | S | * | * | trans | 84.9 | 140.3 | 158.1 | -155.4 | 177.9 | -176.6 | 165.2 | 2 | 116.8 | ||||
| 657 | A | 24.2 | Very low | 26.2 | Very low | 83 Ų | 83 | 135.5 Ų | 135.5 | 69% | 0.686 | 75% | 0.748 | S | S | * | * | trans | -101 | -178.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 658 | P | 36.9 | Very low | 26.3 | Very low | 118 Ų | 118 | 139.7 Ų | 139.7 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | cis | -127.9 | -176.4 | -4.8 | 42.7 | -27.9 | 0 | 0 | 0 | 113.7 | ||||
| 659 | P | 28.4 | Very low | 26.3 | Very low | 126 Ų | 126 | 141 Ų | 141 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -119.7 | 152.2 | 164 | 37.7 | -26.7 | 0 | 0 | 0 | 114.9 | ||||
| 660 | E | 24.5 | Very low | 26.4 | Very low | 188 Ų | 188 | 142 Ų | 142 | 88% | 0.879 | 76% | 0.757 | S | S | * | * | trans | -94.2 | 174.4 | 165.7 | -102.2 | -175.9 | -179.5 | 0 | 0 | 111.5 | ||||
| 661 | P | 34.5 | Very low | 26.5 | Very low | 118 Ų | 118 | 143.4 Ų | 143.4 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | trans | -97.2 | 159.6 | -169.8 | 37.4 | -35.8 | 0 | 0 | 0 | 116.3 | ||||
| 662 | E | 25.1 | Very low | 26.6 | Very low | 180 Ų | 180 | 143.1 Ų | 143.1 | 84% | 0.841 | 76% | 0.759 | S | S | * | * | trans | -121.8 | 139.4 | 164.1 | -67.1 | -168.4 | 149.7 | 0 | 0 | 109.4 | ||||
| 663 | S | 25.7 | Very low | 26.7 | Very low | 93 Ų | 93 | 142.4 Ų | 142.4 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | 79.5 | 148.6 | 63.2 | 122.1 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 664 | N | 27.4 | Very low | 26.8 | Very low | 139 Ų | 139 | 145 Ų | 145 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | cis | -142.8 | -154.9 | 2.1 | -129.9 | -72.2 | 0 | 0 | 0 | 108.4 | ||||
| 665 | E | 26.3 | Very low | 26.8 | Very low | 156 Ų | 156 | 145 Ų | 145 | 73% | 0.729 | 76% | 0.764 | S | S | * | * | cis | -161.4 | 144.4 | 5.9 | -148.9 | -90 | 176.7 | 0 | 0 | 107.6 | ||||
| 666 | S | 26.9 | Very low | 26.8 | Very low | 76 Ų | 76 | 144.9 Ų | 144.9 | 53% | 0.531 | 76% | 0.763 | S | S | . | * | cis | -125.7 | -77.3 | -19.5 | 37.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 667 | V | 25.8 | Very low | 27.4 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | cis | -128.4 | 156.6 | -3.1 | -179 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 668 | R | 25.8 | Very low | 27.4 | Very low | 220 Ų | 220 | 138.4 Ų | 138.4 | 83% | 0.83 | 76% | 0.759 | S | S | * | * | trans | -51 | 153.5 | -178.9 | -62.2 | 173.3 | 163.8 | 169.1 | -4.3 | 114.2 | ||||
| 669 | R | 25.1 | Very low | 26.9 | Very low | 209 Ų | 209 | 141.7 Ų | 141.7 | 79% | 0.789 | 76% | 0.764 | S | S | * | * | cis | -172.9 | 128 | 40.4 | -156.3 | 178.9 | -161.7 | -176.9 | 5.3 | 114.4 | ||||
| 670 | K | 26 | Very low | 26.6 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 74% | 0.735 | 76% | 0.758 | S | S | * | * | trans | 62.5 | 158.3 | 155.8 | -72.9 | 175.9 | 162.5 | -158.8 | 0 | 117.3 | ||||
| 671 | Q | 26.1 | Very low | 26.6 | Very low | 158 Ų | 158 | 136.6 Ų | 136.6 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | cis | -153.2 | 155.2 | 2 | -135.4 | 162.6 | -60.8 | 0 | 0 | 111.8 | ||||
| 672 | A | 25.5 | Very low | 26.2 | Very low | 88 Ų | 88 | 141 Ų | 141 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | 17.1 | 149.6 | 149.1 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 673 | S | 26.4 | Very low | 26.1 | Very low | 100 Ų | 100 | 137.8 Ų | 137.8 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | cis | -174.4 | 146.3 | -10.7 | 49.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 674 | Q | 26.2 | Very low | 26.1 | Very low | 166 Ų | 166 | 141.4 Ų | 141.4 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | trans | 11.2 | 136.2 | 143.3 | -55.5 | 167.6 | -39.3 | 0 | 0 | 118.9 | ||||
| 675 | N | 26 | Very low | 25.9 | Very low | 153 Ų | 153 | 140.1 Ų | 140.1 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | -171.9 | 136.6 | 79.8 | -98.4 | -37.9 | 0 | 0 | 0 | 115.5 | |||||
| 676 | T | 25 | Very low | 25.9 | Very low | 129 Ų | 129 | 137.7 Ų | 137.7 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | -82.8 | -173.1 | 147.4 | 17.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 677 | P | 37.2 | Very low | 25.9 | Very low | 121 Ų | 121 | 143.7 Ų | 143.7 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | cis | -143.8 | 178.5 | 16 | 44.6 | -25.8 | 0 | 0 | 0 | 118.3 | ||||
| 678 | G | 24.5 | Very low | 25.9 | Very low | 73 Ų | 73 | 145.1 Ų | 145.1 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | trans | 75 | 160.6 | 139.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 679 | Q | 25.4 | Very low | 25.9 | Very low | 186 Ų | 186 | 142.4 Ų | 142.4 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | cis | -161 | 158.3 | -10.8 | -146.2 | 176.5 | 10 | 0 | 0 | 110.8 | ||||
| 680 | S | 23.5 | Very low | 25.9 | Very low | 99 Ų | 99 | 138.1 Ų | 138.1 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | trans | 57.9 | 114.1 | 154.1 | 61.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 681 | S | 24.6 | Very low | 25.9 | Very low | 108 Ų | 108 | 133.8 Ų | 133.8 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | 93.5 | 141.7 | 117.9 | 78.6 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 682 | R | 25.2 | Very low | 25.9 | Very low | 211 Ų | 211 | 137.3 Ų | 137.3 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | trans | 73.9 | 111.3 | 145.3 | -83.7 | -172.7 | 144.4 | 130.2 | 2.8 | 123.1 | ||||
| 683 | E | 24.3 | Very low | 25.9 | Very low | 113 Ų | 113 | 143.1 Ų | 143.1 | 53% | 0.528 | 76% | 0.763 | S | S | . | * | 66 | 123.9 | 121.8 | -69.6 | -174.5 | 81.7 | 0 | 0 | 122.7 | |||||
| 684 | K | 24.4 | Very low | 25.8 | Very low | 168 Ų | 168 | 145.7 Ų | 145.7 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | trans | 76.4 | 104.7 | 133.2 | -71.8 | 171.5 | 177.9 | 155.1 | 0 | 121.2 | ||||
| 685 | S | 24.3 | Very low | 26.3 | Very low | 113 Ų | 113 | 143.5 Ų | 143.5 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | 95.7 | 139.2 | 111.1 | -63.8 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 686 | A | 25.7 | Very low | 26.3 | Very low | 105 Ų | 105 | 143.4 Ų | 143.4 | 87% | 0.868 | 76% | 0.762 | S | S | * | * | trans | 90.1 | 134.5 | 144.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 687 | K | 26.5 | Very low | 26.3 | Very low | 202 Ų | 202 | 147 Ų | 147 | 88% | 0.878 | 77% | 0.767 | S | S | * | * | trans | -97.2 | 157.9 | 176 | -54.2 | 168.9 | 178.8 | 175.2 | 0 | 110.7 | ||||
| 688 | I | 25.3 | Very low | 25.8 | Very low | 156 Ų | 156 | 147.1 Ų | 147.1 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | trans | -165.1 | 127 | 148.2 | -100.7 | 146.8 | 0 | 0 | 0 | 105.6 | ||||
| 689 | K | 26.3 | Very low | 25.8 | Very low | 164 Ų | 164 | 152 Ų | 152 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | 64.3 | 149.8 | 71.7 | -77.8 | -177.4 | 148.2 | -95.7 | 0 | 112.6 | |||||
| 690 | D | 26.3 | Very low | 25.7 | Very low | 119 Ų | 119 | 154 Ų | 154 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | cis | -162.4 | 163.7 | -5 | -102.1 | -23.4 | 0 | 0 | 0 | 106.8 | ||||
| 691 | S | 25.1 | Very low | 25.9 | Very low | 78 Ų | 78 | 157 Ų | 157 | 55% | 0.545 | 76% | 0.763 | S | S | . | * | cis | -173.8 | 173.7 | -18.8 | 58.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 692 | R | 26.3 | Very low | 26.1 | Very low | 232 Ų | 232 | 158 Ų | 158 | 88% | 0.875 | 77% | 0.767 | S | S | * | * | trans | 71.9 | 143.9 | 159.8 | -58.9 | 160.5 | 173.8 | 177.9 | -2.7 | 120.5 | ||||
| 693 | K | 24.7 | Very low | 26.2 | Very low | 210 Ų | 210 | 156.5 Ų | 156.5 | 91% | 0.913 | 77% | 0.766 | S | S | * | * | -163.4 | 159.1 | 115.3 | -109.3 | 170.3 | -175.9 | 176.4 | 0 | 113.6 | |||||
| 694 | L | 24.9 | Very low | 26.2 | Very low | 154 Ų | 154 | 161.6 Ų | 161.6 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | trans | -151.8 | 158.2 | -175.9 | -138.1 | 170 | 0 | 0 | 0 | 107.3 | ||||
| 695 | P | 37 | Very low | 26.2 | Very low | 120 Ų | 120 | 161.2 Ų | 161.2 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | trans | -142.3 | 170.2 | 140 | 35.1 | -18.7 | 0 | 0 | 0 | 115.1 | ||||
| 696 | E | 26.1 | Very low | 26.3 | Very low | 151 Ų | 151 | 161.6 Ų | 161.6 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | -113.9 | 168 | -158.2 | -44.9 | 144.9 | 99.5 | 0 | 0 | 116.1 | I698 | E696-I698 HydrophobicContact CB-CD1 3.98Å; E696-I698 HydrophobicContact CB-CG1 4.3Å | ||
| 697 | K | 25.2 | Very low | 26.2 | Very low | 203 Ų | 203 | 164.2 Ų | 164.2 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | 176 | 114.1 | 133.6 | -95.3 | 155.5 | -175.4 | 175.6 | 0 | 108.7 | ||||
| 698 | I | 27.3 | Very low | 26.6 | Very low | 125 Ų | 125 | 163.6 Ų | 163.6 | 64% | 0.641 | 78% | 0.779 | S | S | * | * | cis | 89.5 | 128.2 | 42.8 | -60.3 | 171.5 | 0 | 0 | 0 | 114 | E696 | E696-I698 HydrophobicContact CB-CD1 3.98Å; E696-I698 HydrophobicContact CB-CG1 4.3Å | ||
| 699 | K | 24.1 | Very low | 26.6 | Very low | 176 Ų | 176 | 165.2 Ų | 165.2 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | trans | 98.3 | 133.3 | -178.5 | -61.3 | 179.7 | -175.9 | 173.8 | 0 | 113.9 | ||||
| 700 | R | 23.6 | Very low | 26.7 | Very low | 226 Ų | 226 | 164.2 Ų | 164.2 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | cis | -160.5 | 148.7 | -3.1 | -116.3 | 173.3 | 179.5 | 175.8 | -4.8 | 109.2 | ||||
| 701 | E | 26.1 | Very low | 26.7 | Very low | 163 Ų | 163 | 164.8 Ų | 164.8 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -77.8 | 166 | 163.1 | -59.3 | -172.6 | 142.4 | 0 | 0 | 111.3 | ||||
| 702 | P | 29.6 | Very low | 26.8 | Very low | 128 Ų | 128 | 168.6 Ų | 168.6 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | -138.6 | 169.6 | 90.8 | 39.9 | -28 | 0 | 0 | 0 | 115.2 | |||||
| 703 | K | 28.3 | Very low | 26.9 | Very low | 180 Ų | 180 | 166.3 Ų | 166.3 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | -92.7 | 148.6 | 173.4 | -62.9 | -179.1 | 178 | -177 | 0 | 113 | ||||
| 704 | R | 22.8 | Very low | 27.1 | Very low | 221 Ų | 221 | 160.9 Ų | 160.9 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -170.4 | 126.7 | 141.1 | -101.5 | 174 | 174.6 | 157.2 | 3.6 | 107.5 | ||||
| 705 | E | 24.4 | Very low | 27.5 | Very low | 160 Ų | 160 | 160.6 Ų | 160.6 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | 67.3 | 116.3 | 85.9 | -66.7 | 179.9 | 146.2 | 0 | 0 | 112.7 | |||||
| 706 | T | 26.9 | Very low | 27.6 | Very low | 121 Ų | 121 | 161.4 Ų | 161.4 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | 21.4 | 125.5 | 158.1 | 55.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 707 | D | 24 | Very low | 28.1 | Very low | 160 Ų | 160 | 162.2 Ų | 162.2 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | -167.5 | 163.8 | 93.7 | -85.5 | -33.2 | 0 | 0 | 0 | 111.1 | |||||
| 708 | E | 33.6 | Very low | 28.7 | Very low | 189 Ų | 189 | 160.4 Ų | 160.4 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -99.8 | 123.8 | 174.4 | -59.2 | 175.7 | 140.9 | 0 | 0 | 108.9 | ||||
| 709 | E | 26.9 | Very low | 29.5 | Very low | 190 Ų | 190 | 157.8 Ų | 157.8 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | trans | -164.3 | 137.6 | 153.3 | -117.3 | 163.9 | -150 | 0 | 0 | 114.3 | ||||
| 710 | E | 27.7 | Very low | 30.2 | Very low | 142 Ų | 142 | 153.4 Ų | 153.4 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | trans | 5.4 | 123.9 | 162.9 | -57.1 | -176.9 | 165.9 | 0 | 0 | 121.9 | ||||
| 711 | C | 25.3 | Very low | 31 | Very low | 132 Ų | 132 | 149.9 Ų | 149.9 | 89% | 0.892 | 76% | 0.76 | S | S | * | * | trans | -123.2 | 96.5 | 136.2 | -84.5 | 0 | 0 | 0 | 0 | 108.5 | E713 | C711-E713 PolarHBondContact O-N 2.82Å; C711-E713 VanDerWaalsContact O-N 3.17Å | ||
| 712 | M | 27.2 | Very low | 31.8 | Very low | 157 Ų | 157 | 144.2 Ų | 144.2 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | trans | -74.8 | 97.3 | 171 | -77 | -170.1 | -84.4 | 0 | 0 | 110.2 | ||||
| 713 | E | 29.5 | Very low | 32.5 | Very low | 185 Ų | 185 | 142.4 Ų | 142.4 | 86% | 0.864 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 132.3 | 149.9 | -66.7 | -170.9 | 161.7 | 0 | 0 | 107.5 | C711 E715 | C711-E713 PolarHBondContact O-N 2.82Å; C711-E713 VanDerWaalsContact O-N 3.17Å; E713-E715 PolarHBondContact O-N 3.14Å |
| 714 | A | 29.3 | Very low | 33.2 | Very low | 96 Ų | 96 | 141.8 Ų | 141.8 | 79% | 0.793 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 116.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | E716 | A714-E716 PolarHBondContact O-N 3.21Š|
| 715 | E | 33.6 | Very low | 34.3 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 69% | 0.687 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 117.1 | 164.6 | -64.2 | -167.7 | 150.2 | 0 | 0 | 108.7 | E713 | E713-E715 PolarHBondContact O-N 3.14Š|
| 716 | E | 38.9 | Very low | 35.2 | Very low | 137 Ų | 137 | 132 Ų | 132 | 64% | 0.64 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 131.7 | 165.1 | -64.1 | -171.9 | 137 | 0 | 0 | 108.2 | A714 W718 | A714-E716 PolarHBondContact O-N 3.21Å; E716-W718 VanDerWaalsContact C-N 3.29Å; E716-W718 HydrophobicContact CB-CH2 4.19Å; E716-W718 HydrophobicContact CB-CZ2 3.89Å; E716-W718 HydrophobicContact CG-CZ2 4.49Å; E716-W718 VanDerWaalsContact O-CD2 3.32Å; E716-W718 WeakPolarHBondContact O-CZ3 3.27Å; E716-W718 PolarHBondContact O-N 2.88Å |
| 717 | D | 36.9 | Very low | 35.9 | Very low | 168 Ų | 168 | 128.2 Ų | 128.2 | 90% | 0.898 | 66% | 0.661 | S | S | * | * | trans | -67.5 | 82 | 179 | -94.6 | -47 | 0 | 0 | 0 | 111.5 | S719 | D717-S719 PolarHBondContact O-N 3.14Š| ||
| 718 | W | 36.8 | Very low | 37 | Very low | 165 Ų | 165 | 128.8 Ų | 128.8 | 63% | 0.625 | 65% | 0.652 | S | S | * | * | trans | -68.1 | 113 | 171.8 | -66.9 | -69.2 | 0 | 0 | 0 | 110.1 | E716 | E716-W718 VanDerWaalsContact C-N 3.29Å; E716-W718 HydrophobicContact CB-CH2 4.19Å; E716-W718 HydrophobicContact CB-CZ2 3.89Å; E716-W718 HydrophobicContact CG-CZ2 4.49Å; E716-W718 VanDerWaalsContact O-CD2 3.32Å; E716-W718 WeakPolarHBondContact O-CZ3 3.27Å; E716-W718 PolarHBondContact O-N 2.88Å | ||
| 719 | S | 44.9 | Very low | 37.5 | Very low | 70 Ų | 70 | 124.6 Ų | 124.6 | 49% | 0.49 | 63% | 0.632 | S | S | . | * | trans | -59.3 | 146.8 | 170.4 | 75.8 | 0 | 0 | 0 | 0 | 110.4 | D717 E721 A722 Y723 | D717-S719 PolarHBondContact O-N 3.14Å; S719-E721 PolarHBondContact O-N 2.91Å; S719-E721 VanDerWaalsContact O-N 3.12Å; S719-A722 WeakPolarHBondContact O-CB 3.12Å; S719-A722 PolarHBondContact O-N 3.01Å; S719-A722 WeakPolarHBondContact OG-CB 3.33Å; S719-A722 PolarHBondContact OG-N 2.72Å; S719-Y723 PolarHBondContact O-N 3.35Å | ||
| 720 | S | 37.7 | Very low | 38.3 | Very low | 84 Ų | 84 | 118.5 Ų | 118.5 | 59% | 0.587 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -50.9 | -39.7 | 179.1 | -177.6 | 0 | 0 | 0 | 0 | 112.3 | Y723 W724 | S720-Y723 PolarHBondContact O-N 3.02Å; S720-W724 PolarHBondContact O-N 3.39Å |
| 721 | E | 41.7 | Very low | 38.9 | Very low | 152 Ų | 152 | 120.1 Ų | 120.1 | 71% | 0.71 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.5 | -43.2 | 176.3 | -168.1 | -176.9 | 162.2 | 0 | 0 | 112.5 | S719 K725 | S719-E721 PolarHBondContact O-N 2.91Å; S719-E721 VanDerWaalsContact O-N 3.12Å; E721-K725 WeakPolarHBondContact O-CB 3.4Å; E721-K725 PolarHBondContact O-N 2.9Å |
| 722 | A | 43 | Very low | 39.7 | Very low | 44 Ų | 44 | 116.5 Ų | 116.5 | 36% | 0.364 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.2 | -41 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | S719 K725 A726 | S719-A722 WeakPolarHBondContact O-CB 3.12Å; S719-A722 PolarHBondContact O-N 3.01Å; S719-A722 WeakPolarHBondContact OG-CB 3.33Å; S719-A722 PolarHBondContact OG-N 2.72Å; A722-K725 PolarHBondContact O-N 2.95Å; A722-A726 WeakPolarHBondContact O-CB 3.5Å; A722-A726 PolarHBondContact O-N 3.14Å |
| 723 | Y | 42.9 | Very low | 40.4 | Very low | 90 Ų | 90 | 114.3 Ų | 114.3 | 35% | 0.353 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -59.3 | -53.8 | 174.7 | 173.7 | -92 | 0 | 0 | 0 | 111.7 | I524 S719 S720 K725 A726 C727 | I524-Y723 HydrophobicContact CG2-CE2 4.45Å; S719-Y723 PolarHBondContact O-N 3.35Å; S720-Y723 PolarHBondContact O-N 3.02Å; Y723-K725 VanDerWaalsContact C-N 3.28Å; Y723-K725 PolarHBondContact O-N 3.43Å; Y723-A726 PolarHBondContact O-N 3.31Å; Y723-C727 PolarHBondContact O-N 3.46Å; Y723-C727 PolarHBondContact O-SG 2.8Å; Y723-C727 VanDerWaalsContact O-SG 3.41Å |
| 724 | W | 43.7 | Very low | 41.1 | Very low | 167 Ų | 167 | 111.4 Ų | 111.4 | 63% | 0.633 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.1 | -33.5 | -179.7 | -76.1 | 115.8 | 0 | 0 | 0 | 112.9 | S720 C727 Y728 | S720-W724 PolarHBondContact O-N 3.39Å; W724-C727 PolarHBondContact O-N 3.05Å; W724-Y728 WeakPolarHBondContact O-CB 3.24Å; W724-Y728 PolarHBondContact O-N 3.05Å |
| 725 | K | 46.5 | Very low | 41.9 | Very low | 119 Ų | 119 | 113.2 Ų | 113.2 | 52% | 0.517 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.2 | -43.5 | 176.2 | -167.7 | 170.4 | -173.7 | 173.9 | 0 | 112.3 | E721 A722 Y723 C727 Y728 E729 | E721-K725 WeakPolarHBondContact O-CB 3.4Å; E721-K725 PolarHBondContact O-N 2.9Å; A722-K725 PolarHBondContact O-N 2.95Å; Y723-K725 VanDerWaalsContact C-N 3.28Å; Y723-K725 PolarHBondContact O-N 3.43Å; K725-C727 VanDerWaalsContact C-N 3.33Å; K725-C727 PolarHBondContact O-N 2.86Å; K725-Y728 PolarHBondContact O-N 3.14Å; K725-E729 WeakPolarHBondContact O-CG 3.47Å; K725-E729 PolarHBondContact O-N 3.35Å |
| 726 | A | 42.9 | Very low | 42.5 | Very low | 57 Ų | 57 | 109.3 Ų | 109.3 | 47% | 0.471 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.2 | -39.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A722 Y723 A730 | A722-A726 WeakPolarHBondContact O-CB 3.5Å; A722-A726 PolarHBondContact O-N 3.14Å; Y723-A726 PolarHBondContact O-N 3.31Å; A726-A730 WeakPolarHBondContact O-CB 3.5Å; A726-A730 PolarHBondContact O-N 3.18Å |
| 727 | C | 41.8 | Very low | 42.7 | Very low | 42 Ų | 42 | 105.9 Ų | 105.9 | 28% | 0.284 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 172.5 | -68.4 | 0 | 0 | 0 | 0 | 112.6 | Y723 W724 K725 W731 | Y723-C727 PolarHBondContact O-N 3.46Å; Y723-C727 PolarHBondContact O-SG 2.8Å; Y723-C727 VanDerWaalsContact O-SG 3.41Å; W724-C727 PolarHBondContact O-N 3.05Å; K725-C727 VanDerWaalsContact C-N 3.33Å; K725-C727 PolarHBondContact O-N 2.86Å; C727-W731 PolarHBondContact O-N 2.91Å; C727-W731 VanDerWaalsContact O-N 3.1Å |
| 728 | Y | 46.6 | Very low | 42.7 | Very low | 172 Ų | 172 | 102.4 Ų | 102.4 | 68% | 0.675 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.8 | -45 | 177.6 | -178.9 | -92.8 | 0 | 0 | 0 | 112.2 | W724 K725 W731 S732 | W724-Y728 WeakPolarHBondContact O-CB 3.24Å; W724-Y728 PolarHBondContact O-N 3.05Å; K725-Y728 PolarHBondContact O-N 3.14Å; Y728-W731 PolarHBondContact O-N 3.23Å; Y728-S732 WeakPolarHBondContact O-CB 3.47Å; Y728-S732 PolarHBondContact O-N 3.44Å |
| 729 | E | 44.2 | Very low | 42.8 | Very low | 101 Ų | 101 | 99.2 Ų | 99.2 | 47% | 0.472 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 177.5 | -72.1 | 169.6 | -174 | 0 | 0 | 110.7 | K725 W731 S732 D733 | K725-E729 WeakPolarHBondContact O-CG 3.47Å; K725-E729 PolarHBondContact O-N 3.35Å; E729-W731 VanDerWaalsContact C-N 3.32Å; E729-W731 PolarHBondContact O-N 3.12Å; E729-S732 WeakPolarHBondContact O-CB 3.47Å; E729-S732 PolarHBondContact O-N 2.77Å; E729-D733 PolarHBondContact O-N 2.79Å |
| 730 | A | 42.3 | Very low | 42.3 | Very low | 61 Ų | 61 | 99.4 Ų | 99.4 | 50% | 0.504 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.1 | -33.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A726 Y734 | A726-A730 WeakPolarHBondContact O-CB 3.5Å; A726-A730 PolarHBondContact O-N 3.18Å; A730-Y734 WeakPolarHBondContact O-CB 3.4Å; A730-Y734 PolarHBondContact O-N 2.81Å; A730-Y734 VanDerWaalsContact O-N 3.12Å |
| 731 | W | 40.6 | Very low | 42.1 | Very low | 177 Ų | 177 | 103.9 Ų | 103.9 | 67% | 0.67 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -72.2 | -41.8 | 172.5 | -111.2 | 27.6 | 0 | 0 | 0 | 112.3 | C727 Y728 E729 D733 Y734 Y735 | C727-W731 PolarHBondContact O-N 2.91Å; C727-W731 VanDerWaalsContact O-N 3.1Å; Y728-W731 PolarHBondContact O-N 3.23Å; E729-W731 VanDerWaalsContact C-N 3.32Å; E729-W731 PolarHBondContact O-N 3.12Å; W731-D733 VanDerWaalsContact C-N 3.33Å; W731-D733 PolarHBondContact O-N 3.15Å; W731-Y734 PolarHBondContact O-N 2.9Å; W731-Y735 HydrophobicContact CD2-CE2 4.4Å; W731-Y735 VanDerWaalsContact O-CD2 3.3Å; W731-Y735 WeakPolarHBondContact O-CD2 3.34Å; W731-Y735 PolarHBondContact O-N 2.97Å |
| 732 | S | 42.7 | Very low | 41.7 | Very low | 56 Ų | 56 | 102.5 Ų | 102.5 | 39% | 0.392 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.1 | -45.5 | 174.9 | 178.9 | 0 | 0 | 0 | 0 | 111.3 | Y728 E729 Y735 S736 | Y728-S732 WeakPolarHBondContact O-CB 3.47Å; Y728-S732 PolarHBondContact O-N 3.44Å; E729-S732 WeakPolarHBondContact O-CB 3.47Å; E729-S732 PolarHBondContact O-N 2.77Å; S732-Y735 PolarHBondContact O-N 2.79Å; S732-S736 VanDerWaalsContact O-CB 3.27Å; S732-S736 WeakPolarHBondContact O-CB 3.36Å; S732-S736 PolarHBondContact O-N 2.95Å; S732-S736 PolarHBondContact O-OG 3.04Å |
| 733 | D | 42.8 | Very low | 41.6 | Very low | 111 Ų | 111 | 109.2 Ų | 109.2 | 59% | 0.594 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67.7 | -38.7 | 178.3 | -75.7 | -6.7 | 0 | 0 | 0 | 112.2 | E729 W731 S736 A737 | E729-D733 PolarHBondContact O-N 2.79Å; W731-D733 VanDerWaalsContact C-N 3.33Å; W731-D733 PolarHBondContact O-N 3.15Å; D733-S736 PolarHBondContact O-N 3.03Å; D733-A737 WeakPolarHBondContact O-CB 3.35Å; D733-A737 PolarHBondContact O-N 3.43Å |
| 734 | Y | 43.8 | Very low | 41 | Very low | 123 Ų | 123 | 113.7 Ų | 113.7 | 48% | 0.482 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -59.8 | -49.5 | 174 | 174 | -102.4 | 0 | 0 | 0 | 112.3 | A730 W731 S736 A737 M738 | A730-Y734 WeakPolarHBondContact O-CB 3.4Å; A730-Y734 PolarHBondContact O-N 2.81Å; A730-Y734 VanDerWaalsContact O-N 3.12Å; W731-Y734 PolarHBondContact O-N 2.9Å; Y734-S736 VanDerWaalsContact C-N 3.35Å; Y734-A737 PolarHBondContact O-N 2.93Å; Y734-M738 HydrophobicContact CD1-CG 4.48Å; Y734-M738 HydrophobicContact CE1-CE 4.2Å; Y734-M738 HydrophobicContact CE1-CG 4.13Å; Y734-M738 HydrophobicContact CE2-CG 4.16Å; Y734-M738 HydrophobicContact CE2-SD 4.35Å; Y734-M738 WeakPolarHBondContact O-CB 3.29Å; Y734-M738 WeakPolarHBondContact O-CG 3.35Å; Y734-M738 PolarHBondContact O-N 2.82Å |
| 735 | Y | 45.3 | Very low | 40.5 | Very low | 135 Ų | 135 | 109.4 Ų | 109.4 | 53% | 0.529 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -69.4 | -32.3 | 177.9 | -77.9 | -69.1 | 0 | 0 | 0 | 112.6 | W731 S732 M738 S739 | W731-Y735 HydrophobicContact CD2-CE2 4.4Å; W731-Y735 VanDerWaalsContact O-CD2 3.3Å; W731-Y735 WeakPolarHBondContact O-CD2 3.34Å; W731-Y735 PolarHBondContact O-N 2.97Å; S732-Y735 PolarHBondContact O-N 2.79Å; Y735-M738 PolarHBondContact O-N 2.92Å; Y735-S739 PolarHBondContact O-N 3.22Å |
| 736 | S | 46 | Very low | 39.7 | Very low | 65 Ų | 65 | 113 Ų | 113 | 46% | 0.455 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65.1 | -45.1 | 173.3 | -61.5 | 0 | 0 | 0 | 0 | 111.5 | S732 D733 Y734 M738 S739 | S732-S736 VanDerWaalsContact O-CB 3.27Å; S732-S736 WeakPolarHBondContact O-CB 3.36Å; S732-S736 PolarHBondContact O-N 2.95Å; S732-S736 PolarHBondContact O-OG 3.04Å; D733-S736 PolarHBondContact O-N 3.03Å; Y734-S736 VanDerWaalsContact C-N 3.35Å; S736-M738 PolarHBondContact O-N 2.9Å; S736-S739 WeakPolarHBondContact O-CB 3.35Å; S736-S739 PolarHBondContact O-N 2.97Å; S736-S739 PolarHBondContact O-OG 3.31Å |
| 737 | A | 42.7 | Very low | 39 | Very low | 64 Ų | 64 | 119.6 Ų | 119.6 | 53% | 0.529 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -64.1 | -37.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D733 Y734 S739 A740 | D733-A737 WeakPolarHBondContact O-CB 3.35Å; D733-A737 PolarHBondContact O-N 3.43Å; Y734-A737 PolarHBondContact O-N 2.93Å; A737-S739 PolarHBondContact O-N 3.3Å; A737-A740 PolarHBondContact O-N 2.92Å |
| 738 | M | 37.3 | Very low | 38.4 | Very low | 96 Ų | 96 | 122 Ų | 122 | 47% | 0.473 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -63.7 | -25.9 | 174.5 | -72.2 | -96.8 | -77.7 | 0 | 0 | 113.2 | Y734 Y735 S736 A740 | Y734-M738 HydrophobicContact CD1-CG 4.48Å; Y734-M738 HydrophobicContact CE1-CE 4.2Å; Y734-M738 HydrophobicContact CE1-CG 4.13Å; Y734-M738 HydrophobicContact CE2-CG 4.16Å; Y734-M738 HydrophobicContact CE2-SD 4.35Å; Y734-M738 WeakPolarHBondContact O-CB 3.29Å; Y734-M738 WeakPolarHBondContact O-CG 3.35Å; Y734-M738 PolarHBondContact O-N 2.82Å; Y735-M738 PolarHBondContact O-N 2.92Å; S736-M738 PolarHBondContact O-N 2.9Å; M738-A740 PolarHBondContact O-N 3.44Å |
| 739 | S | 39.1 | Very low | 37.4 | Very low | 98 Ų | 98 | 121.8 Ų | 121.8 | 69% | 0.685 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -11.4 | -179.5 | 77.7 | 0 | 0 | 0 | 0 | 114.9 | Y735 S736 A737 F741 | Y735-S739 PolarHBondContact O-N 3.22Å; S736-S739 WeakPolarHBondContact O-CB 3.35Å; S736-S739 PolarHBondContact O-N 2.97Å; S736-S739 PolarHBondContact O-OG 3.31Å; A737-S739 PolarHBondContact O-N 3.3Å; S739-F741 PolarHBondContact O-N 3.38Å |
| 740 | A | 35.4 | Very low | 36.7 | Very low | 73 Ų | 73 | 126 Ų | 126 | 60% | 0.603 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -4.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | A737 M738 | A737-A740 PolarHBondContact O-N 2.92Å; M738-A740 PolarHBondContact O-N 3.44Å |
| 741 | F | 32.9 | Very low | 36.1 | Very low | 179 Ų | 179 | 127 Ų | 127 | 79% | 0.785 | 66% | 0.658 | S | S | * | * | trans | -110.6 | 109.8 | -175.3 | -73.1 | -83.8 | 0 | 0 | 0 | 112.5 | S739 | S739-F741 PolarHBondContact O-N 3.38Š| ||
| 742 | P | 33.9 | Very low | 35.6 | Very low | 123 Ų | 123 | 124.4 Ų | 124.4 | 80% | 0.799 | 66% | 0.661 | S | S | * | * | trans | -76.5 | 159.3 | 176.3 | 31.8 | -34.8 | 0 | 0 | 0 | 113 | Q744 | P742-Q744 PolarHBondContact O-N 3.39Š| ||
| 743 | E | 40 | Very low | 34.9 | Very low | 184 Ų | 184 | 125.4 Ų | 125.4 | 86% | 0.86 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -28.1 | 113.3 | -177.1 | -56.8 | 178.9 | 136.5 | 0 | 0 | 117.9 | ||
| 744 | Q | 30.6 | Very low | 34.6 | Very low | 185 Ų | 185 | 126.6 Ų | 126.6 | 86% | 0.864 | 67% | 0.674 | S | S | * | * | S | Bend | -177.1 | 139.9 | 122.5 | -98.5 | 155.9 | 57 | 0 | 0 | 112.6 | P742 | P742-Q744 PolarHBondContact O-N 3.39Š| |
| 745 | G | 32.9 | Very low | 34.8 | Very low | 77 Ų | 77 | 125.4 Ų | 125.4 | 79% | 0.794 | 68% | 0.676 | S | S | * | * | trans | 92.2 | 14.5 | 153.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | Q747 | G745-Q747 PolarHBondContact O-N 3.46Š| ||
| 746 | Y | 29.5 | Very low | 34.3 | Very low | 193 Ų | 193 | 126.9 Ų | 126.9 | 76% | 0.757 | 68% | 0.681 | S | S | * | * | trans | -94.2 | 23.8 | -174.5 | -95.6 | -85.4 | 0 | 0 | 0 | 117.4 | S748 | Y746-S748 PolarHBondContact O-N 3.06Š| ||
| 747 | Q | 28.2 | Very low | 33.5 | Very low | 196 Ų | 196 | 128 Ų | 128 | 92% | 0.916 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | 1.8 | -172.7 | -147.3 | 161.9 | 3.3 | 0 | 0 | 115 | G745 | G745-Q747 PolarHBondContact O-N 3.46Š|
| 748 | S | 28.8 | Very low | 33.2 | Very low | 94 Ų | 94 | 127.6 Ų | 127.6 | 66% | 0.657 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.8 | -11.3 | -170 | -168.5 | 0 | 0 | 0 | 0 | 116.1 | Y746 S751 | Y746-S748 PolarHBondContact O-N 3.06Å; S748-S751 PolarHBondContact O-OG 3.22Å |
| 749 | Y | 26.2 | Very low | 33.1 | Very low | 167 Ų | 167 | 124.5 Ų | 124.5 | 66% | 0.655 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -99.5 | -17.9 | -171.4 | -112.1 | -86.1 | 0 | 0 | 0 | 115 | ||
| 750 | Y | 30.3 | Very low | 32.9 | Very low | 190 Ų | 190 | 125.8 Ų | 125.8 | 75% | 0.745 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -92.3 | -2.8 | -178.1 | -81.3 | -77.7 | 0 | 0 | 0 | 114.7 | V752 | Y750-V752 VanDerWaalsContact C-N 3.29Å; Y750-V752 PolarHBondContact O-N 3.47Å |
| 751 | S | 30.3 | Very low | 32.9 | Very low | 81 Ų | 81 | 130.8 Ų | 130.8 | 57% | 0.566 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -76.7 | -7.9 | -179.2 | 49.6 | 0 | 0 | 0 | 0 | 115 | S748 | S748-S751 PolarHBondContact O-OG 3.22Š|
| 752 | V | 29.8 | Very low | 33.1 | Very low | 123 Ų | 123 | 128.9 Ų | 128.9 | 75% | 0.745 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -113.5 | -15.2 | -166.8 | -171.4 | 0 | 0 | 0 | 0 | 113.6 | Y750 H754 | Y750-V752 VanDerWaalsContact C-N 3.29Å; Y750-V752 PolarHBondContact O-N 3.47Å; V752-H754 PolarHBondContact O-N 2.93Å |
| 753 | A | 27.2 | Very low | 33.3 | Very low | 76 Ų | 76 | 125.8 Ų | 125.8 | 63% | 0.628 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -97.7 | 88.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 754 | H | 36.3 | Very low | 33.1 | Very low | 136 Ų | 136 | 118.7 Ų | 118.7 | 63% | 0.63 | 61% | 0.605 | S | S | * | * | trans | -70.1 | 157.2 | -173.1 | -79 | 5.1 | 0 | 0 | 0 | 115.3 | V752 W756 M757 | V752-H754 PolarHBondContact O-N 2.93Å; H754-W756 PolarHBondContact O-N 2.9Å; H754-M757 PolarHBondContact O-N 3.08Å | ||
| 755 | N | 48.3 | Very low | 33.4 | Very low | 99 Ų | 99 | 113.8 Ų | 113.8 | 53% | 0.529 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -50.1 | -28.8 | -174 | -116.7 | 1.5 | 0 | 0 | 0 | 114.9 | M757 A758 A759 | N755-M757 VanDerWaalsContact C-N 3.28Å; N755-M757 PolarHBondContact O-N 3.33Å; N755-A758 PolarHBondContact O-N 3.39Å; N755-A759 PolarHBondContact O-N 3.33Å |
| 756 | W | 34 | Very low | 33.7 | Very low | 166 Ų | 166 | 113.2 Ų | 113.2 | 63% | 0.629 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -54.9 | -39.2 | -174.9 | 85.7 | -95 | 0 | 0 | 0 | 112.9 | H754 A758 Y760 | H754-W756 PolarHBondContact O-N 2.9Å; W756-A758 VanDerWaalsContact C-N 3.35Å; W756-A758 PolarHBondContact O-N 2.98Å; W756-Y760 HydrophobicContact CE3-CG 4.45Å; W756-Y760 HydrophobicContact CZ3-CD2 4.38Å; W756-Y760 HydrophobicContact CZ3-CG 4.2Å; W756-Y760 WeakPolarHBondContact O-CA 3.06Å; W756-Y760 WeakPolarHBondContact O-CB 3.16Å; W756-Y760 PolarHBondContact O-N 3.47Å |
| 757 | M | 29.3 | Very low | 34 | Very low | 88 Ų | 88 | 107 Ų | 107 | 43% | 0.433 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -73 | -24.7 | 178.2 | -87.9 | -152.8 | -67 | 0 | 0 | 113.8 | H754 N755 R761 | H754-M757 PolarHBondContact O-N 3.08Å; N755-M757 VanDerWaalsContact C-N 3.28Å; N755-M757 PolarHBondContact O-N 3.33Å; M757-R761 WeakPolarHBondContact O-CB 3.2Å; M757-R761 WeakPolarHBondContact O-CD 3.44Å; M757-R761 VanDerWaalsContact O-CG 3.22Å; M757-R761 WeakPolarHBondContact O-CG 3.23Å; M757-R761 PolarHBondContact O-N 3.35Å; M757-R761 VanDerWaalsContact O-N 3.11Å |
| 758 | A | 36.9 | Very low | 34.5 | Very low | 55 Ų | 55 | 103.8 Ų | 103.8 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -78.2 | -46.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | N755 W756 R761 M762 | N755-A758 PolarHBondContact O-N 3.39Å; W756-A758 VanDerWaalsContact C-N 3.35Å; W756-A758 PolarHBondContact O-N 2.98Å; A758-R761 PolarHBondContact O-N 2.98Å; A758-M762 PolarHBondContact O-N 3.46Å |
| 759 | A | 35.6 | Very low | 34.9 | Very low | 31 Ų | 31 | 103.7 Ų | 103.7 | 26% | 0.256 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | N755 R761 M762 N763 | N755-A759 PolarHBondContact O-N 3.33Å; A759-R761 PolarHBondContact O-N 3.02Å; A759-M762 PolarHBondContact O-N 2.94Å; A759-N763 VanDerWaalsContact O-CB 3.24Å; A759-N763 WeakPolarHBondContact O-CB 3.45Å; A759-N763 VanDerWaalsContact O-CG 3.27Å; A759-N763 PolarHBondContact O-N 3.44Å |
| 760 | Y | 34.7 | Very low | 35.4 | Very low | 126 Ų | 126 | 99.5 Ų | 99.5 | 49% | 0.494 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.7 | -37 | 174.7 | 177.2 | -93.5 | 0 | 0 | 0 | 112.4 | W756 A764 | W756-Y760 HydrophobicContact CE3-CG 4.45Å; W756-Y760 HydrophobicContact CZ3-CD2 4.38Å; W756-Y760 HydrophobicContact CZ3-CG 4.2Å; W756-Y760 WeakPolarHBondContact O-CA 3.06Å; W756-Y760 WeakPolarHBondContact O-CB 3.16Å; W756-Y760 PolarHBondContact O-N 3.47Å; Y760-A764 WeakPolarHBondContact O-CA 3.36Å; Y760-A764 WeakPolarHBondContact O-CB 3.45Å; Y760-A764 PolarHBondContact O-N 3.47Å |
| 761 | R | 34.9 | Very low | 35.5 | Very low | 177 Ų | 177 | 96.6 Ų | 96.6 | 67% | 0.668 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -72.8 | -39.8 | 175 | -76.8 | 171.8 | -175 | -112.7 | 0.7 | 112.6 | M757 A758 A759 A764 V765 | M757-R761 WeakPolarHBondContact O-CB 3.2Å; M757-R761 WeakPolarHBondContact O-CD 3.44Å; M757-R761 VanDerWaalsContact O-CG 3.22Å; M757-R761 WeakPolarHBondContact O-CG 3.23Å; M757-R761 PolarHBondContact O-N 3.35Å; M757-R761 VanDerWaalsContact O-N 3.11Å; A758-R761 PolarHBondContact O-N 2.98Å; A759-R761 PolarHBondContact O-N 3.02Å; R761-A764 PolarHBondContact O-N 3.01Å; R761-V765 WeakPolarHBondContact O-CG2 3.48Å; R761-V765 PolarHBondContact O-N 3.37Å |
| 762 | M | 36.8 | Very low | 35.8 | Very low | 139 Ų | 139 | 99.1 Ų | 99.1 | 69% | 0.685 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.8 | -48.6 | 172.2 | -76.3 | -64.3 | -167.5 | 0 | 0 | 111.2 | A758 A759 A764 V765 Y766 | A758-M762 PolarHBondContact O-N 3.46Å; A759-M762 PolarHBondContact O-N 2.94Å; M762-A764 VanDerWaalsContact C-N 3.34Å; M762-A764 PolarHBondContact O-N 3.36Å; M762-V765 PolarHBondContact O-N 3.07Å; M762-Y766 WeakPolarHBondContact O-CB 3.25Å; M762-Y766 PolarHBondContact O-N 3.38Å |
| 763 | N | 39 | Very low | 36 | Very low | 58 Ų | 58 | 104.3 Ų | 104.3 | 31% | 0.31 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.7 | -38.1 | 175 | -73.1 | -12 | 0 | 0 | 0 | 111.7 | C63 A759 Y766 M767 | C63-N763 PolarHBondContact SG-OD1 3.1Å; A759-N763 VanDerWaalsContact O-CB 3.24Å; A759-N763 WeakPolarHBondContact O-CB 3.45Å; A759-N763 VanDerWaalsContact O-CG 3.27Å; A759-N763 PolarHBondContact O-N 3.44Å; N763-Y766 PolarHBondContact O-N 3.08Å; N763-M767 WeakPolarHBondContact O-CB 3.4Å; N763-M767 WeakPolarHBondContact O-CG 3.35Å; N763-M767 PolarHBondContact O-N 2.69Å |
| 764 | A | 34.8 | Very low | 36.4 | Very low | 36 Ų | 36 | 105.7 Ų | 105.7 | 30% | 0.298 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.7 | -36.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y760 R761 M762 Q768 | Y760-A764 WeakPolarHBondContact O-CA 3.36Å; Y760-A764 WeakPolarHBondContact O-CB 3.45Å; Y760-A764 PolarHBondContact O-N 3.47Å; R761-A764 PolarHBondContact O-N 3.01Å; M762-A764 VanDerWaalsContact C-N 3.34Å; M762-A764 PolarHBondContact O-N 3.36Å; A764-Q768 WeakPolarHBondContact O-CB 3.47Å; A764-Q768 WeakPolarHBondContact O-CG 3.42Å; A764-Q768 PolarHBondContact O-N 3.02Å |
| 765 | V | 38.6 | Very low | 36.4 | Very low | 81 Ų | 81 | 104.1 Ų | 104.1 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.8 | -46 | 172.6 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | R761 M762 M767 Q768 E769 | R761-V765 WeakPolarHBondContact O-CG2 3.48Å; R761-V765 PolarHBondContact O-N 3.37Å; M762-V765 PolarHBondContact O-N 3.07Å; V765-M767 PolarHBondContact O-N 3.21Å; V765-Q768 PolarHBondContact O-N 3.45Å; V765-Q768 VanDerWaalsContact O-N 3.14Å; V765-E769 PolarHBondContact O-N 3.15Å |
| 766 | Y | 37.7 | Very low | 35.8 | Very low | 65 Ų | 65 | 104.4 Ų | 104.4 | 26% | 0.255 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.2 | -49.7 | 177.1 | -175.2 | -101.8 | 0 | 0 | 0 | 111.8 | R62 M762 N763 Q768 E769 L770 | R62-Y766 PolarHBondContact NH1-OH 3.31Å; M762-Y766 WeakPolarHBondContact O-CB 3.25Å; M762-Y766 PolarHBondContact O-N 3.38Å; N763-Y766 PolarHBondContact O-N 3.08Å; Y766-Q768 VanDerWaalsContact C-N 3.33Å; Y766-Q768 PolarHBondContact O-N 3.46Å; Y766-E769 PolarHBondContact O-N 3.43Å; Y766-L770 HydrophobicContact CD1-CD1 4.2Å; Y766-L770 HydrophobicContact CE1-CD1 3.79Å; Y766-L770 WeakPolarHBondContact O-CB 3.46Å; Y766-L770 PolarHBondContact O-N 3.35Å |
| 767 | M | 36.8 | Very low | 35.9 | Very low | 64 Ų | 64 | 100.8 Ų | 100.8 | 32% | 0.315 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67 | -30.2 | 175.3 | -64.2 | -72.2 | -99.8 | 0 | 0 | 112.1 | N763 V765 L770 M771 | N763-M767 WeakPolarHBondContact O-CB 3.4Å; N763-M767 WeakPolarHBondContact O-CG 3.35Å; N763-M767 PolarHBondContact O-N 2.69Å; V765-M767 PolarHBondContact O-N 3.21Å; M767-L770 CarbonylContact O-C 3.55Å; M767-L770 WeakPolarHBondContact O-CB 3.5Å; M767-L770 PolarHBondContact O-N 2.85Å; M767-L770 HydrophobicContact SD-CD1 4.13Å; M767-M771 WeakPolarHBondContact O-CB 3.5Å; M767-M771 VanDerWaalsContact O-CG 3.23Å; M767-M771 WeakPolarHBondContact O-CG 3.41Å; M767-M771 PolarHBondContact O-N 2.85Å |
| 768 | Q | 37.1 | Very low | 36.3 | Very low | 127 Ų | 127 | 101.6 Ų | 101.6 | 59% | 0.593 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67.9 | -37 | 172.7 | -86.9 | 179.3 | -1.1 | 0 | 0 | 112.7 | A764 V765 Y766 M771 K772 | A764-Q768 WeakPolarHBondContact O-CB 3.47Å; A764-Q768 WeakPolarHBondContact O-CG 3.42Å; A764-Q768 PolarHBondContact O-N 3.02Å; V765-Q768 PolarHBondContact O-N 3.45Å; V765-Q768 VanDerWaalsContact O-N 3.14Å; Y766-Q768 VanDerWaalsContact C-N 3.33Å; Y766-Q768 PolarHBondContact O-N 3.46Å; Q768-M771 PolarHBondContact O-N 2.79Å; Q768-K772 WeakPolarHBondContact O-CG 3.14Å; Q768-K772 PolarHBondContact O-N 2.64Å |
| 769 | E | 38.7 | Very low | 36.2 | Very low | 92 Ų | 92 | 104.7 Ų | 104.7 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.9 | -35.6 | 170.9 | -59.3 | -55.2 | 156.1 | 0 | 0 | 111.5 | V765 Y766 M771 K772 | V765-E769 PolarHBondContact O-N 3.15Å; Y766-E769 PolarHBondContact O-N 3.43Å; E769-M771 PolarHBondContact O-N 3.32Å; E769-K772 PolarHBondContact O-N 3.38Å; E769-K772 IonicContact OE1-NZ 3.78Å; E769-K772 PolarHBondContact OE1-NZ 3.28Å; E769-K772 WeakPolarHBondContact OE2-CD 3.37Å; E769-K772 WeakPolarHBondContact OE2-CE 3.46Å; E769-K772 IonicContact OE2-NZ 3.64Å; E769-K772 PolarHBondContact OE2-NZ 3.13Å |
| 770 | L | 35.5 | Very low | 36.3 | Very low | 80 Ų | 80 | 109.9 Ų | 109.9 | 42% | 0.419 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.5 | -21 | 170.9 | -138.5 | 152.2 | 0 | 0 | 0 | 112.6 | L33 Y766 M767 | L33-L770 HydrophobicContact CD1-CD1 3.52Å; L33-L770 HydrophobicContact CD1-CG 3.65Å; Y766-L770 HydrophobicContact CD1-CD1 4.2Å; Y766-L770 HydrophobicContact CE1-CD1 3.79Å; Y766-L770 WeakPolarHBondContact O-CB 3.46Å; Y766-L770 PolarHBondContact O-N 3.35Å; M767-L770 CarbonylContact O-C 3.55Å; M767-L770 WeakPolarHBondContact O-CB 3.5Å; M767-L770 PolarHBondContact O-N 2.85Å; M767-L770 HydrophobicContact SD-CD1 4.13Å |
| 771 | M | 32.6 | Very low | 36.4 | Very low | 128 Ų | 128 | 108.7 Ų | 108.7 | 63% | 0.631 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | 15.4 | 175.2 | -65.4 | -128.4 | -67.6 | 0 | 0 | 114.2 | M767 Q768 E769 | M767-M771 WeakPolarHBondContact O-CB 3.5Å; M767-M771 VanDerWaalsContact O-CG 3.23Å; M767-M771 WeakPolarHBondContact O-CG 3.41Å; M767-M771 PolarHBondContact O-N 2.85Å; Q768-M771 PolarHBondContact O-N 2.79Å; E769-M771 PolarHBondContact O-N 3.32Å |
| 772 | K | 36.7 | Very low | 36.5 | Very low | 135 Ų | 135 | 103 Ų | 103 | 59% | 0.587 | 51% | 0.507 | S | S | * | . | trans | -107.5 | -6.1 | 171.5 | -73.7 | -174 | -144.4 | 160.6 | 0 | 114.4 | Q768 E769 | Q768-K772 WeakPolarHBondContact O-CG 3.14Å; Q768-K772 PolarHBondContact O-N 2.64Å; E769-K772 PolarHBondContact O-N 3.38Å; E769-K772 IonicContact OE1-NZ 3.78Å; E769-K772 PolarHBondContact OE1-NZ 3.28Å; E769-K772 WeakPolarHBondContact OE2-CD 3.37Å; E769-K772 WeakPolarHBondContact OE2-CE 3.46Å; E769-K772 IonicContact OE2-NZ 3.64Å; E769-K772 PolarHBondContact OE2-NZ 3.13Å | ||
| 773 | H | 34.1 | Very low | 36.5 | Very low | 231 Ų | 231 | 99.7 Ų | 99.7 | 100% | 1.069 | 49% | 0.491 | S | S | * | . | trans | -120 | 0 | 178.8 | -73.7 | -60.5 | 0 | 0 | 0 | 111.3 |
Retrieved 773 of 773 residues in 273.6 ms
(Link to these results)