| 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 | R | 43.8 | Very low | 51.3 | Low | 310 Ų | 310 | 144.4 Ų | 144.4 | 100% | 1.17 | 68% | 0.684 | S | S | * | * | 0 | -14.5 | 0 | -90.2 | 178.9 | 171.6 | 167.1 | -4.2 | 115 | |||||
| 2 | Q | 43.8 | Very low | 51.9 | Low | 190 Ų | 190 | 134.2 Ų | 134.2 | 89% | 0.888 | 64% | 0.636 | S | S | * | * | trans | -81.3 | -19.5 | -177.6 | -75.4 | 169 | -28.4 | 0 | 0 | 116.3 | R4 | Q2-R4 PolarHBondContact O-N 3.24Š| ||
| 3 | G | 47 | Very low | 52.8 | Low | 79 Ų | 79 | 130.8 Ų | 130.8 | 81% | 0.814 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -1.9 | -165.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 4 | R | 51.1 | Low | 54.2 | Low | 235 Ų | 235 | 128.3 Ų | 128.3 | 89% | 0.887 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | -2.9 | -173.1 | -78.8 | -169 | 179.2 | -179.4 | -0.3 | 116.4 | Q2 | Q2-R4 PolarHBondContact O-N 3.24Š|
| 5 | R | 46 | Very low | 54.7 | Low | 206 Ų | 206 | 119.7 Ų | 119.7 | 78% | 0.777 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -75.7 | -34.3 | -175 | -80.8 | -173.7 | 169.9 | 175.6 | -5.3 | 115.2 | R8 | R5-R8 PolarHBondContact O-N 3.18Š|
| 6 | K | 49.8 | Very low | 55.2 | Low | 192 Ų | 192 | 114.1 Ų | 114.1 | 84% | 0.835 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -36.7 | -166.1 | -79.3 | -168.4 | 171.2 | -172 | 0 | 117.4 | ||
| 7 | P | 53.7 | Low | 55.8 | Low | 96 Ų | 96 | 110.8 Ų | 110.8 | 62% | 0.623 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -28.2 | -179.7 | -20.4 | 34 | 0 | 0 | 0 | 114.4 | S10 | P7-S10 WeakPolarHBondContact O-CB 3.33Å; P7-S10 PolarHBondContact O-N 3.38Å |
| 8 | R | 51.4 | Low | 56.6 | Low | 90 Ų | 90 | 107 Ų | 107 | 34% | 0.34 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.2 | -46 | -168.6 | -154.9 | -173 | -158.6 | -161.9 | 15 | 111.6 | R5 S10 E85 V86 | R5-R8 PolarHBondContact O-N 3.18Å; R8-S10 PolarHBondContact O-N 2.68Å; R8-E85 IonicContact CZ-OE2 2.73Å; R8-E85 IonicContact NH1-OE2 3.99Å; R8-E85 PolarHBondContact NH1-OE2 2.83Å; R8-E85 IonicContact NH2-OE2 3.78Å; R8-V86 HydrophobicContact CG-CG2 4.04Å |
| 9 | D | 54.4 | Low | 56.9 | Low | 97 Ų | 97 | 101.5 Ų | 101.5 | 52% | 0.519 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.3 | -20.4 | -177.4 | -53.7 | -14.6 | 0 | 0 | 0 | 112.7 | T13 | D9-T13 WeakPolarHBondContact O-CB 3.43Å; D9-T13 PolarHBondContact O-OG1 3.21Å |
| 10 | S | 62.2 | Low | 57.3 | Low | 74 Ų | 74 | 99.2 Ų | 99.2 | 52% | 0.517 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71.8 | -49.5 | -178.4 | -168.8 | 0 | 0 | 0 | 0 | 112.4 | P7 R8 T13 E14 | P7-S10 WeakPolarHBondContact O-CB 3.33Å; P7-S10 PolarHBondContact O-N 3.38Å; R8-S10 PolarHBondContact O-N 2.68Å; S10-T13 PolarHBondContact O-N 2.96Å; S10-E14 WeakPolarHBondContact O-CB 3.49Å; S10-E14 PolarHBondContact O-N 3.45Å |
| 11 | A | 61.3 | Low | 57.5 | Low | 19 Ų | 19 | 101.6 Ų | 101.6 | 16% | 0.157 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -70.2 | -41.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E14 A15 | A11-E14 PolarHBondContact O-N 3.2Å; A11-A15 WeakPolarHBondContact O-CB 3.41Å; A11-A15 PolarHBondContact O-N 3.46Å |
| 12 | E | 58.7 | Low | 58.3 | Low | 22 Ų | 22 | 88.6 Ų | 88.6 | 10% | 0.103 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -70.1 | -38.6 | 175.1 | -160.6 | -165.5 | 142.5 | 0 | 0 | 111.3 | E14 A15 L16 V86 S87 | E12-E14 VanDerWaalsContact C-N 3.28Å; E12-E14 PolarHBondContact O-N 2.99Å; E12-A15 PolarHBondContact O-N 3.37Å; E12-L16 HydrophobicContact CG-CD1 4.04Å; E12-L16 HydrophobicContact CG-CG 4.3Å; E12-L16 VanDerWaalsContact O-CB 3.29Å; E12-L16 WeakPolarHBondContact O-CB 3.49Å; E12-L16 WeakPolarHBondContact O-CD1 3.24Å; E12-L16 VanDerWaalsContact O-CG 3.24Å; E12-L16 WeakPolarHBondContact O-CG 3.48Å; E12-L16 PolarHBondContact O-N 3.38Å; E12-V86 HydrophobicContact CB-CG1 4.37Å; E12-V86 VanDerWaalsContact OE2-C 3.29Å; E12-V86 WeakPolarHBondContact OE2-CB 3.46Å; E12-V86 VanDerWaalsContact OE2-CG1 3.25Å; E12-V86 WeakPolarHBondContact OE2-CG1 3.48Å; E12-S87 VanDerWaalsContact OE1-CA 3.25Å; E12-S87 WeakPolarHBondContact OE1-CA 3.02Å; E12-S87 WeakPolarHBondContact OE1-CB 3.18Å; E12-S87 PolarHBondContact OE1-OG 3.32Å; E12-S87 VanDerWaalsContact OE2-CA 3.3Å; E12-S87 WeakPolarHBondContact OE2-CA 2.99Å; E12-S87 WeakPolarHBondContact OE2-CB 3.41Å; E12-S87 PolarHBondContact OE2-N 3.38Å |
| 13 | T | 63.2 | Low | 58.8 | Low | 91 Ų | 91 | 81 Ų | 81 | 56% | 0.558 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61.7 | -38.3 | 176 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | D9 S10 A17 | D9-T13 WeakPolarHBondContact O-CB 3.43Å; D9-T13 PolarHBondContact O-OG1 3.21Å; S10-T13 PolarHBondContact O-N 2.96Å; T13-A17 VanDerWaalsContact O-CB 3.31Å; T13-A17 WeakPolarHBondContact O-CB 3.45Å; T13-A17 PolarHBondContact O-N 3.3Å |
| 14 | E | 72.2 | Confident | 58.9 | Low | 95 Ų | 95 | 81.4 Ų | 81.4 | 44% | 0.444 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -69.4 | -42 | 173.3 | -167 | -173.9 | 157.6 | 0 | 0 | 112.3 | S10 A11 E12 A17 N18 L63 | S10-E14 WeakPolarHBondContact O-CB 3.49Å; S10-E14 PolarHBondContact O-N 3.45Å; A11-E14 PolarHBondContact O-N 3.2Å; E12-E14 VanDerWaalsContact C-N 3.28Å; E12-E14 PolarHBondContact O-N 2.99Å; E14-A17 PolarHBondContact O-N 3.05Å; E14-N18 VanDerWaalsContact O-CB 3.3Å; E14-N18 WeakPolarHBondContact O-CB 3.44Å; E14-N18 PolarHBondContact O-N 3.06Å; E14-N18 PolarHBondContact O-ND2 3.19Å; E14-L63 HydrophobicContact CB-CD1 4.13Å; E14-L63 HydrophobicContact CG-CD1 4.16Å; E14-L63 WeakPolarHBondContact OE1-CD2 3.48Å |
| 15 | A | 61.9 | Low | 58.8 | Low | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | A11 E12 N18 V19 I56 T60 L63 | A11-A15 WeakPolarHBondContact O-CB 3.41Å; A11-A15 PolarHBondContact O-N 3.46Å; E12-A15 PolarHBondContact O-N 3.37Å; A15-N18 PolarHBondContact O-N 2.97Å; A15-V19 WeakPolarHBondContact O-CG2 3.25Å; A15-V19 PolarHBondContact O-N 3.33Å; A15-I56 HydrophobicContact CB-CG2 4.37Å; A15-T60 WeakPolarHBondContact CB-OG1 3.46Å; A15-L63 HydrophobicContact CB-CD1 3.94Å |
| 16 | L | 63.2 | Low | 58.9 | Low | 29 Ų | 29 | 64.8 Ų | 64.8 | 15% | 0.152 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.7 | -48.6 | 174.1 | -75.6 | 164.4 | 0 | 0 | 0 | 111.1 | E12 N18 V19 D20 I56 K89 | E12-L16 HydrophobicContact CG-CD1 4.04Å; E12-L16 HydrophobicContact CG-CG 4.3Å; E12-L16 VanDerWaalsContact O-CB 3.29Å; E12-L16 WeakPolarHBondContact O-CB 3.49Å; E12-L16 WeakPolarHBondContact O-CD1 3.24Å; E12-L16 VanDerWaalsContact O-CG 3.24Å; E12-L16 WeakPolarHBondContact O-CG 3.48Å; E12-L16 PolarHBondContact O-N 3.38Å; L16-N18 PolarHBondContact O-N 2.8Å; L16-V19 PolarHBondContact O-N 3.08Å; L16-D20 VanDerWaalsContact O-CB 3.29Å; L16-D20 WeakPolarHBondContact O-CB 3.37Å; L16-D20 PolarHBondContact O-N 3.49Å; L16-I56 HydrophobicContact CD2-CD1 3.77Å; L16-I56 HydrophobicContact CD2-CG1 4.47Å; L16-I56 HydrophobicContact CD2-CG2 4.23Å; L16-I56 HydrophobicContact CG-CG2 4.42Å; L16-K89 HydrophobicContact CD2-CD 3.73Å |
| 17 | A | 65.4 | Low | 58.5 | Low | 58 Ų | 58 | 64 Ų | 64 | 48% | 0.479 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T13 E14 K21 | T13-A17 VanDerWaalsContact O-CB 3.31Å; T13-A17 WeakPolarHBondContact O-CB 3.45Å; T13-A17 PolarHBondContact O-N 3.3Å; E14-A17 PolarHBondContact O-N 3.05Å; A17-K21 WeakPolarHBondContact O-CB 3.48Å; A17-K21 PolarHBondContact O-N 3.42Å |
| 18 | N | 69.3 | Low | 57.9 | Low | 43 Ų | 43 | 62.1 Ų | 62.1 | 23% | 0.23 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.6 | -41.1 | 177.6 | -79.7 | -31.9 | 0 | 0 | 0 | 112 | E14 A15 L16 K22 E59 | E14-N18 VanDerWaalsContact O-CB 3.3Å; E14-N18 WeakPolarHBondContact O-CB 3.44Å; E14-N18 PolarHBondContact O-N 3.06Å; E14-N18 PolarHBondContact O-ND2 3.19Å; A15-N18 PolarHBondContact O-N 2.97Å; L16-N18 PolarHBondContact O-N 2.8Å; N18-K22 WeakPolarHBondContact O-CB 3.29Å; N18-K22 WeakPolarHBondContact O-CG 3.31Å; N18-K22 PolarHBondContact O-N 2.81Å; N18-E59 HydrophobicContact CB-CG 4Å |
| 19 | V | 62.6 | Low | 57.2 | Low | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.012 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -77.2 | -41.7 | 178.2 | 176.9 | 0 | 0 | 0 | 0 | 112.3 | A15 L16 K21 K22 L23 L55 I56 E59 | A15-V19 WeakPolarHBondContact O-CG2 3.25Å; A15-V19 PolarHBondContact O-N 3.33Å; L16-V19 PolarHBondContact O-N 3.08Å; V19-K21 PolarHBondContact O-N 3.48Å; V19-K22 PolarHBondContact O-N 3.32Å; V19-K22 VanDerWaalsContact O-N 3.16Å; V19-L23 HydrophobicContact CG1-CD1 3.56Å; V19-L23 HydrophobicContact CG1-CG 4.03Å; V19-L23 WeakPolarHBondContact O-CB 3.41Å; V19-L23 VanDerWaalsContact O-CG 3.31Å; V19-L23 WeakPolarHBondContact O-CG 3.45Å; V19-L23 PolarHBondContact O-N 2.91Å; V19-L55 HydrophobicContact CG1-CB 4.06Å; V19-L55 WeakPolarHBondContact CG2-O 3.44Å; V19-I56 HydrophobicContact CB-CG1 3.76Å; V19-I56 HydrophobicContact CG1-CG1 3.74Å; V19-I56 HydrophobicContact CG2-CG1 4.02Å; V19-E59 HydrophobicContact CG2-CB 3.73Å; V19-E59 HydrophobicContact CG2-CG 4.23Å |
| 20 | D | 64.8 | Low | 56.6 | Low | 56 Ų | 56 | 65.8 Ų | 65.8 | 30% | 0.299 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.5 | -33.9 | 172.1 | -78.5 | -31.2 | 0 | 0 | 0 | 110.8 | L16 T24 Y52 K89 | L16-D20 VanDerWaalsContact O-CB 3.29Å; L16-D20 WeakPolarHBondContact O-CB 3.37Å; L16-D20 PolarHBondContact O-N 3.49Å; D20-T24 WeakPolarHBondContact O-CB 3.16Å; D20-T24 PolarHBondContact O-N 3.41Å; D20-T24 PolarHBondContact O-OG1 3.36Å; D20-Y52 WeakPolarHBondContact OD1-CE2 3.43Å; D20-Y52 PolarHBondContact OD1-OH 3.43Å; D20-Y52 PolarHBondContact OD2-OH 3.24Å; D20-K89 IonicContact OD1-NZ 2.74Å; D20-K89 IonicContact OD2-NZ 3.52Å; D20-K89 PolarHBondContact OD2-NZ 2.74Å |
| 21 | K | 61.4 | Low | 55.4 | Low | 150 Ų | 150 | 67.3 Ų | 67.3 | 65% | 0.652 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65.4 | -50.3 | 169.6 | -178.5 | 177.6 | 179.4 | -178.5 | 0 | 112.2 | A17 V19 L23 T24 V25 | A17-K21 WeakPolarHBondContact O-CB 3.48Å; A17-K21 PolarHBondContact O-N 3.42Å; V19-K21 PolarHBondContact O-N 3.48Å; K21-L23 PolarHBondContact O-N 3.31Å; K21-T24 PolarHBondContact O-N 2.88Å; K21-V25 WeakPolarHBondContact O-CG2 3.37Å; K21-V25 PolarHBondContact O-N 3.26Å |
| 22 | K | 59.9 | Low | 54.7 | Low | 36 Ų | 36 | 69.4 Ų | 69.4 | 16% | 0.157 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.2 | -34.5 | 178.2 | -75.8 | 168.2 | -174.2 | -154.7 | 0 | 112.9 | N18 V19 L26 E59 T207 | N18-K22 WeakPolarHBondContact O-CB 3.29Å; N18-K22 WeakPolarHBondContact O-CG 3.31Å; N18-K22 PolarHBondContact O-N 2.81Å; V19-K22 PolarHBondContact O-N 3.32Å; V19-K22 VanDerWaalsContact O-N 3.16Å; K22-L26 WeakPolarHBondContact O-CD1 3.1Å; K22-L26 WeakPolarHBondContact O-CD2 3.29Å; K22-L26 WeakPolarHBondContact O-CG 3.38Å; K22-E59 VanDerWaalsContact CE-OE1 3.26Å; K22-E59 WeakPolarHBondContact CE-OE1 3.34Å; K22-E59 IonicContact NZ-OE1 3.4Å; K22-E59 PolarHBondContact NZ-OE1 3.35Å; K22-E59 IonicContact NZ-OE2 3.55Å; K22-E59 PolarHBondContact NZ-OE2 2.97Å; K22-T207 WeakPolarHBondContact CD-OG1 3.47Å; K22-T207 WeakPolarHBondContact CE-OG1 3.3Å; K22-T207 PolarHBondContact NZ-OG1 2.82Å; K22-T207 VanDerWaalsContact NZ-OG1 3.08Å |
| 23 | L | 55 | Low | 53.9 | Low | 30 Ų | 30 | 75.3 Ų | 75.3 | 16% | 0.157 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -93.7 | -27.4 | -176.5 | -63.5 | 178.7 | 0 | 0 | 0 | 113.8 | V19 K21 V25 L26 Y52 L55 | V19-L23 HydrophobicContact CG1-CD1 3.56Å; V19-L23 HydrophobicContact CG1-CG 4.03Å; V19-L23 WeakPolarHBondContact O-CB 3.41Å; V19-L23 VanDerWaalsContact O-CG 3.31Å; V19-L23 WeakPolarHBondContact O-CG 3.45Å; V19-L23 PolarHBondContact O-N 2.91Å; K21-L23 PolarHBondContact O-N 3.31Å; L23-V25 VanDerWaalsContact C-N 3.3Å; L23-V25 PolarHBondContact O-N 2.9Å; L23-L26 HydrophobicContact CD2-CD1 3.67Å; L23-L26 WeakPolarHBondContact O-CB 3.32Å; L23-L26 PolarHBondContact O-N 3.44Å; L23-L26 VanDerWaalsContact O-N 3.08Å; L23-Y52 HydrophobicContact CD1-CD2 3.34Å; L23-Y52 HydrophobicContact CD1-CE2 3.69Å; L23-Y52 HydrophobicContact CD1-CG 4.4Å; L23-L55 HydrophobicContact CD2-CD1 4.16Å |
| 24 | T | 50.1 | Low | 53.5 | Low | 88 Ų | 88 | 72.2 Ų | 72.2 | 54% | 0.54 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.3 | -31.5 | 176.6 | -64.3 | 0 | 0 | 0 | 0 | 111.9 | D20 K21 L26 | D20-T24 WeakPolarHBondContact O-CB 3.16Å; D20-T24 PolarHBondContact O-N 3.41Å; D20-T24 PolarHBondContact O-OG1 3.36Å; K21-T24 PolarHBondContact O-N 2.88Å; T24-L26 PolarHBondContact O-N 2.95Å; T24-L26 VanDerWaalsContact O-N 3.15Å |
| 25 | V | 47.6 | Very low | 52.6 | Low | 73 Ų | 73 | 73.1 Ų | 73.1 | 44% | 0.442 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -22.6 | 170.5 | 173.4 | 0 | 0 | 0 | 0 | 112.3 | K21 L23 | K21-V25 WeakPolarHBondContact O-CG2 3.37Å; K21-V25 PolarHBondContact O-N 3.26Å; L23-V25 VanDerWaalsContact C-N 3.3Å; L23-V25 PolarHBondContact O-N 2.9Å |
| 26 | L | 49 | Very low | 52.4 | Low | 19 Ų | 19 | 75.5 Ų | 75.5 | 10% | 0.099 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 5.3 | -169.1 | -43 | -176.6 | 0 | 0 | 0 | 114.4 | K22 L23 T24 S28 T195 L197 | K22-L26 WeakPolarHBondContact O-CD1 3.1Å; K22-L26 WeakPolarHBondContact O-CD2 3.29Å; K22-L26 WeakPolarHBondContact O-CG 3.38Å; L23-L26 HydrophobicContact CD2-CD1 3.67Å; L23-L26 WeakPolarHBondContact O-CB 3.32Å; L23-L26 PolarHBondContact O-N 3.44Å; L23-L26 VanDerWaalsContact O-N 3.08Å; T24-L26 PolarHBondContact O-N 2.95Å; T24-L26 VanDerWaalsContact O-N 3.15Å; L26-S28 VanDerWaalsContact C-N 3.34Å; L26-T195 HydrophobicContact CB-CG2 4.02Å; L26-T195 HydrophobicContact CD1-CG2 4.2Å; L26-L197 HydrophobicContact CB-CD2 3.93Å; L26-L197 HydrophobicContact CD1-CD1 4.31Å; L26-L197 HydrophobicContact CD1-CD2 4.47Å; L26-L197 HydrophobicContact CD2-CD1 3.94Å; L26-L197 HydrophobicContact CD2-CD2 3.69Å; L26-L197 HydrophobicContact CD2-CG 4.49Å; L26-L197 HydrophobicContact CG-CD2 4.19Å |
| 27 | K | 41.2 | Very low | 52.2 | Low | 176 Ų | 176 | 75.2 Ų | 75.2 | 77% | 0.765 | 40% | 0.404 | S | S | * | . | trans | -88.7 | 10.2 | -177.1 | -72.5 | -177.6 | 176.5 | 172.6 | 0 | 114.6 | ||||
| 28 | S | 41.8 | Very low | 51.9 | Low | 56 Ų | 56 | 73.7 Ų | 73.7 | 39% | 0.392 | 39% | 0.391 | S | S | . | . | trans | -72.7 | 131.8 | 177.5 | 51.7 | 0 | 0 | 0 | 0 | 111.8 | L26 I30 | L26-S28 VanDerWaalsContact C-N 3.34Å; S28-I30 PolarHBondContact O-N 3.47Å | ||
| 29 | K | 36.9 | Very low | 51.6 | Low | 215 Ų | 215 | 74.6 Ų | 74.6 | 94% | 0.935 | 40% | 0.398 | S | S | * | . | trans | -70.8 | 124.9 | 169.3 | -75.2 | -174.8 | 176.1 | -177.9 | 0 | 109 | ||||
| 30 | I | 40.4 | Very low | 51.9 | Low | 49 Ų | 49 | 75.2 Ų | 75.2 | 25% | 0.251 | 40% | 0.401 | S | S | . | . | trans | -121.5 | 138.5 | 176.8 | -64.3 | 152.5 | 0 | 0 | 0 | 108.7 | S28 N34 K198 | S28-I30 PolarHBondContact O-N 3.47Å; I30-N34 WeakPolarHBondContact CG2-ND2 3.07Å; I30-K198 HydrophobicContact CD1-CD 4.31Å; I30-K198 HydrophobicContact CD1-CG 4Å; I30-K198 HydrophobicContact CG1-CD 4.45Å; I30-K198 HydrophobicContact CG1-CG 4.48Å; I30-K198 HydrophobicContact CG2-CG 4.23Å | ||
| 31 | S | 38.1 | Very low | 52.2 | Low | 106 Ų | 106 | 73 Ų | 73 | 74% | 0.741 | 39% | 0.388 | S | S | * | . | trans | -111.2 | 155.4 | -167.8 | 53 | 0 | 0 | 0 | 0 | 113.9 | Y33 | S31-Y33 PolarHBondContact O-N 3.19Å; S31-Y33 VanDerWaalsContact O-N 3.09Å | ||
| 32 | G | 45.7 | Very low | 52.8 | Low | 64 Ų | 64 | 67.6 Ų | 67.6 | 66% | 0.66 | 37% | 0.369 | S | S | * | . | S | Bend | trans | 82.1 | -85 | 161.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | N34 | G32-N34 PolarHBondContact O-N 3.46Å; G32-N34 VanDerWaalsContact O-N 3.1Å |
| 33 | Y | 43.3 | Very low | 53.5 | Low | 146 Ų | 146 | 66.7 Ų | 66.7 | 57% | 0.573 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -12.8 | -164.9 | -149.2 | -93.3 | 0 | 0 | 0 | 114.8 | S31 T448 | S31-Y33 PolarHBondContact O-N 3.19Å; S31-Y33 VanDerWaalsContact O-N 3.09Å; Y33-T448 HydrophobicContact CD2-CG2 4.08Å; Y33-T448 HydrophobicContact CE2-CG2 3.85Å |
| 34 | N | 53 | Low | 54.4 | Low | 26 Ų | 26 | 68.9 Ų | 68.9 | 14% | 0.139 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -17.6 | -163.8 | -78.8 | 9.1 | 0 | 0 | 0 | 115.4 | I30 G32 L36 A38 V196 | I30-N34 WeakPolarHBondContact CG2-ND2 3.07Å; G32-N34 PolarHBondContact O-N 3.46Å; G32-N34 VanDerWaalsContact O-N 3.1Å; N34-L36 PolarHBondContact O-N 3.22Å; N34-A38 WeakPolarHBondContact O-CB 3.43Å; N34-A38 PolarHBondContact O-N 2.88Å; N34-V196 HydrophobicContact CB-CG1 3.84Å |
| 35 | N | 54.4 | Low | 55.6 | Low | 114 Ų | 114 | 72.2 Ų | 72.2 | 61% | 0.61 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -65.6 | -42.8 | -157.1 | -77.4 | 3.8 | 0 | 0 | 0 | 116 | T39 | N35-T39 WeakPolarHBondContact O-CB 3.18Å; N35-T39 PolarHBondContact O-N 2.97Å; N35-T39 VanDerWaalsContact O-N 3.1Å; N35-T39 PolarHBondContact O-OG1 3.48Å |
| 36 | L | 56.7 | Low | 56.9 | Low | 49 Ų | 49 | 70.6 Ų | 70.6 | 26% | 0.257 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -70.2 | -47.6 | -179 | -79.1 | 167.9 | 0 | 0 | 0 | 111.5 | N34 A38 T39 Y40 Y417 L443 T445 | N34-L36 PolarHBondContact O-N 3.22Å; L36-A38 VanDerWaalsContact C-N 3.29Å; L36-A38 PolarHBondContact O-N 2.87Å; L36-T39 WeakPolarHBondContact O-CA 3.26Å; L36-T39 WeakPolarHBondContact O-CB 3.39Å; L36-T39 PolarHBondContact O-N 2.65Å; L36-Y40 PolarHBondContact O-N 3.32Å; L36-Y417 HydrophobicContact CD2-CD1 4.12Å; L36-Y417 HydrophobicContact CD2-CD2 3.74Å; L36-Y417 HydrophobicContact CD2-CE1 4.5Å; L36-Y417 HydrophobicContact CD2-CE2 4.14Å; L36-Y417 HydrophobicContact CD2-CG 3.73Å; L36-L443 HydrophobicContact CB-CD2 4.45Å; L36-T445 HydrophobicContact CD1-CG2 3.4Å |
| 37 | W | 59.6 | Low | 58.3 | Low | 23 Ų | 23 | 69.7 Ų | 69.7 | 9% | 0.087 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.7 | -37.5 | 176 | -167.3 | 93.3 | 0 | 0 | 0 | 111.9 | T39 F41 T193 V196 P224 S226 L443 | W37-T39 VanDerWaalsContact C-N 3.26Å; W37-T39 PolarHBondContact O-N 2.86Å; W37-F41 AromaticContact CD1-CD2 3.86Å; W37-F41 AromaticContact CD1-CE2 3.83Å; W37-F41 AromaticContact CD2-CD2 3.87Å; W37-F41 HydrophobicContact CD2-CD2 3.87Å; W37-F41 AromaticContact CE2-CD2 3.58Å; W37-F41 AromaticContact CE2-CE2 3.93Å; W37-F41 HydrophobicContact CG-CD2 4.06Å; W37-F41 HydrophobicContact CG-CE2 4.47Å; W37-F41 HydrophobicContact CZ2-CD2 4.03Å; W37-F41 HydrophobicContact CZ2-CE2 4.45Å; W37-F41 AromaticContact NE1-CD2 3.57Å; W37-F41 AromaticContact NE1-CE2 3.46Å; W37-F41 PolarHBondContact O-N 3.49Å; W37-T193 HydrophobicContact CH2-CG2 4.25Å; W37-V196 HydrophobicContact CE3-CG1 3.96Å; W37-V196 HydrophobicContact CZ3-CG1 4.1Å; W37-P224 WeakPolarHBondContact CZ2-O 3.35Å; W37-S226 WeakPolarHBondContact CH2-OG 3.19Å; W37-L443 HydrophobicContact CB-CD1 4.04Å; W37-L443 HydrophobicContact CG-CD1 4.42Å |
| 38 | A | 59.7 | Low | 60 | Low | 26 Ų | 26 | 65.1 Ų | 65.1 | 22% | 0.215 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.8 | -27.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | N34 L36 S42 V196 | N34-A38 WeakPolarHBondContact O-CB 3.43Å; N34-A38 PolarHBondContact O-N 2.88Å; L36-A38 VanDerWaalsContact C-N 3.29Å; L36-A38 PolarHBondContact O-N 2.87Å; A38-S42 VanDerWaalsContact O-CA 3.28Å; A38-S42 WeakPolarHBondContact O-CA 3.43Å; A38-S42 VanDerWaalsContact O-CB 3.26Å; A38-S42 WeakPolarHBondContact O-CB 3.49Å; A38-S42 PolarHBondContact O-N 2.89Å; A38-V196 HydrophobicContact CB-CB 4.38Å; A38-V196 HydrophobicContact CB-CG1 3.98Å; A38-V196 HydrophobicContact CB-CG2 3.64Å |
| 39 | T | 63.2 | Low | 61.6 | Low | 62 Ų | 62 | 67.3 Ų | 67.3 | 38% | 0.38 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -85.9 | -45.2 | -177.8 | -58.5 | 0 | 0 | 0 | 0 | 110.6 | N35 L36 W37 S42 S289 | N35-T39 WeakPolarHBondContact O-CB 3.18Å; N35-T39 PolarHBondContact O-N 2.97Å; N35-T39 VanDerWaalsContact O-N 3.1Å; N35-T39 PolarHBondContact O-OG1 3.48Å; L36-T39 WeakPolarHBondContact O-CA 3.26Å; L36-T39 WeakPolarHBondContact O-CB 3.39Å; L36-T39 PolarHBondContact O-N 2.65Å; W37-T39 VanDerWaalsContact C-N 3.26Å; W37-T39 PolarHBondContact O-N 2.86Å; T39-S42 WeakPolarHBondContact O-CB 3.36Å; T39-S42 PolarHBondContact O-N 3.16Å; T39-S42 PolarHBondContact O-OG 2.77Å; T39-S289 WeakPolarHBondContact O-CB 3.39Å |
| 40 | Y | 67.1 | Low | 63.6 | Low | 16 Ų | 16 | 58.9 Ų | 58.9 | 6% | 0.063 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.1 | -57 | 175.7 | -172 | -91.7 | 0 | 0 | 0 | 111.3 | L36 S42 L293 Y394 | L36-Y40 PolarHBondContact O-N 3.32Å; Y40-S42 PolarHBondContact O-N 2.69Å; Y40-L293 HydrophobicContact CD2-CD1 4.07Å; Y40-L293 HydrophobicContact CE2-CD1 4.07Å; Y40-L293 HydrophobicContact CE2-CD2 4.01Å; Y40-Y394 PolarHBondContact OH-OH 2.91Å |
| 41 | F | 73.1 | Confident | 65.6 | Low | 8 Ų | 8 | 56.6 Ų | 56.6 | 4% | 0.035 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 23.5 | 176 | -62.7 | -70.6 | 0 | 0 | 0 | 113.3 | W37 T193 I456 | W37-F41 AromaticContact CD1-CD2 3.86Å; W37-F41 AromaticContact CD1-CE2 3.83Å; W37-F41 AromaticContact CD2-CD2 3.87Å; W37-F41 HydrophobicContact CD2-CD2 3.87Å; W37-F41 AromaticContact CE2-CD2 3.58Å; W37-F41 AromaticContact CE2-CE2 3.93Å; W37-F41 HydrophobicContact CG-CD2 4.06Å; W37-F41 HydrophobicContact CG-CE2 4.47Å; W37-F41 HydrophobicContact CZ2-CD2 4.03Å; W37-F41 HydrophobicContact CZ2-CE2 4.45Å; W37-F41 AromaticContact NE1-CD2 3.57Å; W37-F41 AromaticContact NE1-CE2 3.46Å; W37-F41 PolarHBondContact O-N 3.49Å; F41-T193 HydrophobicContact CB-CG2 4.2Å; F41-T193 PolarHBondContact O-N 3.39Å; F41-T193 VanDerWaalsContact O-N 3.12Å; F41-I456 HydrophobicContact CE2-CG2 4.38Å; F41-I456 HydrophobicContact CZ-CG2 3.82Å |
| 42 | S | 72.1 | Confident | 67.7 | Low | 37 Ų | 37 | 54.5 Ų | 54.5 | 26% | 0.259 | 29% | 0.292 | S | S | . | . | trans | -61.3 | 138.7 | 178.8 | 61.1 | 0 | 0 | 0 | 0 | 111 | A38 T39 Y40 Q246 | A38-S42 VanDerWaalsContact O-CA 3.28Å; A38-S42 WeakPolarHBondContact O-CA 3.43Å; A38-S42 VanDerWaalsContact O-CB 3.26Å; A38-S42 WeakPolarHBondContact O-CB 3.49Å; A38-S42 PolarHBondContact O-N 2.89Å; T39-S42 WeakPolarHBondContact O-CB 3.36Å; T39-S42 PolarHBondContact O-N 3.16Å; T39-S42 PolarHBondContact O-OG 2.77Å; Y40-S42 PolarHBondContact O-N 2.69Å; S42-Q246 PolarHBondContact O-NE2 3.33Å | ||
| 43 | S | 74.9 | Confident | 69.3 | Low | 18 Ų | 18 | 52.2 Ų | 52.2 | 13% | 0.126 | 27% | 0.266 | C | S | . | . | trans | -118.9 | 131.1 | 177 | -75.9 | 0 | 0 | 0 | 0 | 112.9 | K48 G192 T193 L229 Q246 | S43-K48 VanDerWaalsContact CB-CE 3.43Å; S43-K48 VanDerWaalsContact O-CE 3.29Å; S43-K48 WeakPolarHBondContact O-CE 3.17Å; S43-G192 VanDerWaalsContact OG-C 3.27Å; S43-G192 WeakPolarHBondContact OG-CA 3.4Å; S43-T193 WeakPolarHBondContact CB-O 3.41Å; S43-T193 PolarHBondContact OG-N 3.08Å; S43-T193 VanDerWaalsContact OG-N 3.14Å; S43-T193 PolarHBondContact OG-O 2.75Å; S43-L229 VanDerWaalsContact OG-CD1 3.23Å; S43-L229 WeakPolarHBondContact OG-CD1 3.42Å; S43-L229 WeakPolarHBondContact OG-CG 3.23Å; S43-Q246 PolarHBondContact OG-NE2 3.04Å; S43-Q246 PolarHBondContact OG-OE1 3.38Å | ||
| 44 | H | 75.5 | Confident | 71.3 | Confident | 75 Ų | 75 | 45.5 Ų | 45.5 | 35% | 0.347 | 24% | 0.241 | S | C | . | . | trans | -62.3 | 150.3 | -179.8 | -177.5 | -123.9 | 0 | 0 | 0 | 110.8 | A46 A47 K48 F124 | H44-A46 VanDerWaalsContact C-N 3.29Å; H44-A46 PolarHBondContact O-N 3.15Å; H44-A47 HydrophobicContact CB-CB 4.29Å; H44-A47 WeakPolarHBondContact O-CB 3.3Å; H44-A47 PolarHBondContact O-N 3.48Å; H44-A47 VanDerWaalsContact O-N 3.11Å; H44-K48 PolarHBondContact O-N 3.47Å; H44-F124 HydrophobicContact CB-CE1 4.02Å; H44-F124 HydrophobicContact CB-CZ 4.09Å; H44-F124 AromaticContact CG-CZ 3.97Å; H44-F124 AromaticContact ND1-CE2 3.71Å; H44-F124 AromaticContact ND1-CZ 3.24Å; H44-F124 WeakPolarHBondContact ND1-CZ 3.21Å | ||
| 45 | K | 74.4 | Confident | 72.8 | Confident | 159 Ų | 159 | 44.7 Ų | 44.7 | 69% | 0.691 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -59.4 | -39.9 | -175.2 | -171.4 | -175.8 | 176.4 | -169.7 | 0 | 112.1 | K48 N49 | K45-K48 PolarHBondContact O-N 3.29Å; K45-N49 PolarHBondContact O-N 2.75Å; K45-N49 VanDerWaalsContact O-N 3.13Å; K45-N49 PolarHBondContact O-OD1 2.93Å |
| 46 | A | 75 | Confident | 74.1 | Confident | 38 Ų | 38 | 39.3 Ų | 39.3 | 31% | 0.314 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.1 | -46.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | H44 K48 N49 T50 F124 | H44-A46 VanDerWaalsContact C-N 3.29Å; H44-A46 PolarHBondContact O-N 3.15Å; A46-K48 VanDerWaalsContact C-N 3.27Å; A46-K48 PolarHBondContact O-N 2.89Å; A46-N49 WeakPolarHBondContact O-CA 3.11Å; A46-N49 WeakPolarHBondContact O-CB 3.14Å; A46-N49 PolarHBondContact O-N 2.89Å; A46-T50 PolarHBondContact O-N 3.23Å; A46-T50 PolarHBondContact O-OG1 2.69Å; A46-F124 HydrophobicContact CB-CD2 3.95Å; A46-F124 HydrophobicContact CB-CE2 3.71Å; A46-F124 HydrophobicContact CB-CZ 4.44Å |
| 47 | A | 78.3 | Confident | 75.4 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.2 | -41.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | H44 S51 F124 L229 Q246 | H44-A47 HydrophobicContact CB-CB 4.29Å; H44-A47 WeakPolarHBondContact O-CB 3.3Å; H44-A47 PolarHBondContact O-N 3.48Å; H44-A47 VanDerWaalsContact O-N 3.11Å; A47-S51 WeakPolarHBondContact O-CB 3.25Å; A47-S51 PolarHBondContact O-N 2.97Å; A47-F124 HydrophobicContact CB-CB 4.44Å; A47-F124 HydrophobicContact CB-CD1 3.36Å; A47-F124 HydrophobicContact CB-CE1 3.8Å; A47-F124 HydrophobicContact CB-CG 3.93Å; A47-L229 HydrophobicContact CB-CD1 3.49Å; A47-L229 VanDerWaalsContact CB-CD1 3.49Å; A47-Q246 HydrophobicContact CB-CG 4.15Å; A47-Q246 VanDerWaalsContact CB-OE1 3.31Å |
| 48 | K | 76.8 | Confident | 76.7 | Confident | 79 Ų | 79 | 36.5 Ų | 36.5 | 34% | 0.343 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.8 | -35.3 | 175 | -66.7 | -170.3 | 179.3 | -157.5 | 0 | 113.3 | S43 H44 K45 A46 Y52 S194 L229 | S43-K48 VanDerWaalsContact CB-CE 3.43Å; S43-K48 VanDerWaalsContact O-CE 3.29Å; S43-K48 WeakPolarHBondContact O-CE 3.17Å; H44-K48 PolarHBondContact O-N 3.47Å; K45-K48 PolarHBondContact O-N 3.29Å; A46-K48 VanDerWaalsContact C-N 3.27Å; A46-K48 PolarHBondContact O-N 2.89Å; K48-Y52 PolarHBondContact O-N 3.46Å; K48-S194 WeakPolarHBondContact CD-O 3.48Å; K48-S194 WeakPolarHBondContact CE-O 3.4Å; K48-S194 PolarHBondContact NZ-O 3.42Å; K48-L229 HydrophobicContact CG-CD2 4.23Å |
| 49 | N | 75.7 | Confident | 77.8 | Confident | 103 Ų | 103 | 36.3 Ų | 36.3 | 55% | 0.551 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -68.5 | -47.1 | 174.4 | -72 | 2.3 | 0 | 0 | 0 | 111.6 | K45 A46 S51 Y52 S53 | K45-N49 PolarHBondContact O-N 2.75Å; K45-N49 VanDerWaalsContact O-N 3.13Å; K45-N49 PolarHBondContact O-OD1 2.93Å; A46-N49 WeakPolarHBondContact O-CA 3.11Å; A46-N49 WeakPolarHBondContact O-CB 3.14Å; A46-N49 PolarHBondContact O-N 2.89Å; N49-S51 PolarHBondContact O-N 3.02Å; N49-Y52 WeakPolarHBondContact O-CB 3.43Å; N49-Y52 PolarHBondContact O-N 3.33Å; N49-S53 PolarHBondContact O-N 3Å |
| 50 | T | 77.9 | Confident | 78.7 | Confident | 37 Ų | 37 | 34 Ų | 34 | 23% | 0.227 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.2 | -40.3 | 175.1 | -49.6 | 0 | 0 | 0 | 0 | 111 | A46 S53 A54 L232 | A46-T50 PolarHBondContact O-N 3.23Å; A46-T50 PolarHBondContact O-OG1 2.69Å; T50-S53 PolarHBondContact O-N 2.93Å; T50-A54 PolarHBondContact O-N 2.59Å; T50-L232 HydrophobicContact CG2-CD1 3.87Å; T50-L232 HydrophobicContact CG2-CG 4.08Å |
| 51 | S | 83.5 | Confident | 79.7 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.2 | -30.9 | 178 | -156.1 | 0 | 0 | 0 | 0 | 113.7 | A47 N49 A54 L55 A230 | A47-S51 WeakPolarHBondContact O-CB 3.25Å; A47-S51 PolarHBondContact O-N 2.97Å; N49-S51 PolarHBondContact O-N 3.02Å; S51-A54 PolarHBondContact O-N 2.96Å; S51-L55 VanDerWaalsContact O-CG 3.3Å; S51-L55 WeakPolarHBondContact O-CG 3.48Å; S51-L55 PolarHBondContact O-N 3.41Å; S51-A230 VanDerWaalsContact CA-O 3.24Å; S51-A230 WeakPolarHBondContact CA-O 3.49Å; S51-A230 VanDerWaalsContact CB-O 3.23Å; S51-A230 WeakPolarHBondContact CB-O 3.3Å; S51-A230 PolarHBondContact OG-N 2.83Å; S51-A230 PolarHBondContact OG-O 2.89Å |
| 52 | Y | 80.8 | Confident | 80.3 | Confident | 61 Ų | 61 | 34.5 Ų | 34.5 | 24% | 0.239 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.8 | -48.2 | 170.4 | 175.8 | -87.6 | 0 | 0 | 0 | 111.2 | D20 L23 K48 N49 L55 I56 K89 L91 | D20-Y52 WeakPolarHBondContact OD1-CE2 3.43Å; D20-Y52 PolarHBondContact OD1-OH 3.43Å; D20-Y52 PolarHBondContact OD2-OH 3.24Å; L23-Y52 HydrophobicContact CD1-CD2 3.34Å; L23-Y52 HydrophobicContact CD1-CE2 3.69Å; L23-Y52 HydrophobicContact CD1-CG 4.4Å; K48-Y52 PolarHBondContact O-N 3.46Å; N49-Y52 WeakPolarHBondContact O-CB 3.43Å; N49-Y52 PolarHBondContact O-N 3.33Å; Y52-L55 PolarHBondContact O-N 3.4Å; Y52-I56 HydrophobicContact CD1-CD1 3.81Å; Y52-I56 HydrophobicContact CE1-CD1 3.32Å; Y52-I56 PolarHBondContact O-N 3.25Å; Y52-K89 PolarHBondContact OH-NZ 3.31Å; Y52-L91 HydrophobicContact CE1-CD2 4.38Å |
| 53 | S | 80.7 | Confident | 80.9 | Confident | 16 Ų | 16 | 33.4 Ų | 33.4 | 11% | 0.112 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.3 | -43.9 | 174.5 | -66.4 | 0 | 0 | 0 | 0 | 112 | N49 T50 L55 I56 L57 L91 | N49-S53 PolarHBondContact O-N 3Å; T50-S53 PolarHBondContact O-N 2.93Å; S53-L55 VanDerWaalsContact C-N 3.33Å; S53-L55 PolarHBondContact O-N 3.08Å; S53-I56 PolarHBondContact O-N 2.92Å; S53-I56 VanDerWaalsContact O-N 3.13Å; S53-L57 PolarHBondContact O-N 2.7Å; S53-L91 VanDerWaalsContact CB-O 3.24Å; S53-L91 WeakPolarHBondContact CB-O 3.48Å; S53-L91 PolarHBondContact OG-O 2.85Å |
| 54 | A | 85.5 | Confident | 81.4 | Confident | 5 Ų | 5 | 32.8 Ų | 32.8 | 4% | 0.041 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.6 | -41.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T50 S51 I56 L57 L58 A230 A231 L232 | T50-A54 PolarHBondContact O-N 2.59Å; S51-A54 PolarHBondContact O-N 2.96Å; A54-I56 VanDerWaalsContact C-N 3.33Å; A54-I56 PolarHBondContact O-N 3.32Å; A54-L57 PolarHBondContact O-N 3.3Å; A54-L58 VanDerWaalsContact O-CB 3.3Å; A54-L58 WeakPolarHBondContact O-CB 3.16Å; A54-L58 PolarHBondContact O-N 3.3Å; A54-A230 HydrophobicContact CB-CB 3.87Å; A54-A231 WeakPolarHBondContact CB-O 3.13Å; A54-L232 HydrophobicContact CB-CD2 4.07Å; A54-L232 HydrophobicContact CB-CG 4.33Å |
| 55 | L | 83.7 | Confident | 81.9 | Confident | 10 Ų | 10 | 33.5 Ų | 33.5 | 5% | 0.052 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.6 | -34.5 | 176.6 | -70.5 | 172.6 | 0 | 0 | 0 | 112.5 | V19 L23 S51 Y52 S53 L58 E59 E208 A230 | V19-L55 HydrophobicContact CG1-CB 4.06Å; V19-L55 WeakPolarHBondContact CG2-O 3.44Å; L23-L55 HydrophobicContact CD2-CD1 4.16Å; S51-L55 VanDerWaalsContact O-CG 3.3Å; S51-L55 WeakPolarHBondContact O-CG 3.48Å; S51-L55 PolarHBondContact O-N 3.41Å; Y52-L55 PolarHBondContact O-N 3.4Å; S53-L55 VanDerWaalsContact C-N 3.33Å; S53-L55 PolarHBondContact O-N 3.08Å; L55-L58 HydrophobicContact CD2-CD2 4.44Å; L55-L58 PolarHBondContact O-N 2.98Å; L55-E59 WeakPolarHBondContact O-CB 3.32Å; L55-E59 PolarHBondContact O-N 3.26Å; L55-E208 HydrophobicContact CD1-CG 4.47Å; L55-E208 HydrophobicContact CD2-CG 4.46Å; L55-E208 WeakPolarHBondContact CD2-OE2 3.47Å; L55-A230 HydrophobicContact CD2-CB 3.92Å; L55-A230 HydrophobicContact CG-CB 4.2Å |
| 56 | I | 81 | Confident | 82.3 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.3 | -42.6 | 175.3 | -64.5 | 163.1 | 0 | 0 | 0 | 111 | A15 L16 V19 Y52 S53 A54 E59 T60 L91 | A15-I56 HydrophobicContact CB-CG2 4.37Å; L16-I56 HydrophobicContact CD2-CD1 3.77Å; L16-I56 HydrophobicContact CD2-CG1 4.47Å; L16-I56 HydrophobicContact CD2-CG2 4.23Å; L16-I56 HydrophobicContact CG-CG2 4.42Å; V19-I56 HydrophobicContact CB-CG1 3.76Å; V19-I56 HydrophobicContact CG1-CG1 3.74Å; V19-I56 HydrophobicContact CG2-CG1 4.02Å; Y52-I56 HydrophobicContact CD1-CD1 3.81Å; Y52-I56 HydrophobicContact CE1-CD1 3.32Å; Y52-I56 PolarHBondContact O-N 3.25Å; S53-I56 PolarHBondContact O-N 2.92Å; S53-I56 VanDerWaalsContact O-N 3.13Å; A54-I56 VanDerWaalsContact C-N 3.33Å; A54-I56 PolarHBondContact O-N 3.32Å; I56-E59 PolarHBondContact O-N 3.11Å; I56-T60 WeakPolarHBondContact O-CB 3.46Å; I56-T60 PolarHBondContact O-N 3.5Å; I56-T60 PolarHBondContact O-OG1 3.36Å; I56-L91 HydrophobicContact CB-CD1 4.08Å; I56-L91 HydrophobicContact CD1-CD1 4.3Å; I56-L91 HydrophobicContact CD1-CD2 3.49Å; I56-L91 VanDerWaalsContact CD1-CD2 3.49Å; I56-L91 HydrophobicContact CG2-CD1 3.53Å |
| 57 | L | 84.3 | Confident | 82.8 | Confident | 7 Ų | 7 | 38.2 Ų | 38.2 | 4% | 0.037 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.2 | -37.5 | 175.4 | -62.6 | -169.7 | 0 | 0 | 0 | 112 | S53 A54 T60 T61 I83 L232 C236 L238 | S53-L57 PolarHBondContact O-N 2.7Å; A54-L57 PolarHBondContact O-N 3.3Å; L57-T60 PolarHBondContact O-N 2.78Å; L57-T61 WeakPolarHBondContact O-CB 3.46Å; L57-T61 PolarHBondContact O-N 3.06Å; L57-T61 PolarHBondContact O-OG1 3.42Å; L57-I83 HydrophobicContact CD2-CG2 3.71Å; L57-L232 HydrophobicContact CD1-CD2 3.76Å; L57-C236 VanDerWaalsContact CD1-SG 3.54Å; L57-L238 HydrophobicContact CB-CD2 3.97Å; L57-L238 HydrophobicContact CD2-CD2 4.05Å; L57-L238 WeakPolarHBondContact O-CD2 3.35Å |
| 58 | L | 87 | Confident | 83 | Confident | 7 Ų | 7 | 41.1 Ų | 41.1 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.3 | -43.7 | 174.7 | -167.7 | 67.8 | 0 | 0 | 0 | 111.8 | A54 L55 T61 K62 I139 R241 | A54-L58 VanDerWaalsContact O-CB 3.3Å; A54-L58 WeakPolarHBondContact O-CB 3.16Å; A54-L58 PolarHBondContact O-N 3.3Å; L55-L58 HydrophobicContact CD2-CD2 4.44Å; L55-L58 PolarHBondContact O-N 2.98Å; L58-T61 WeakPolarHBondContact O-CB 3.45Å; L58-T61 PolarHBondContact O-N 2.86Å; L58-K62 WeakPolarHBondContact O-CG 3.2Å; L58-K62 PolarHBondContact O-N 3.13Å; L58-I139 HydrophobicContact CD1-CG2 3.71Å; L58-I139 HydrophobicContact CG-CG2 4.5Å; L58-R241 HydrophobicContact CD1-CB 3.9Å; L58-R241 HydrophobicContact CD2-CB 3.93Å; L58-R241 HydrophobicContact CD2-CG 4.05Å |
| 59 | E | 83.5 | Confident | 83.4 | Confident | 21 Ų | 21 | 38.7 Ų | 38.7 | 10% | 0.098 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.5 | -37.3 | 176.7 | -159.8 | 72 | 171.7 | 0 | 0 | 112.1 | N18 V19 K22 L55 I56 T61 K62 L63 | N18-E59 HydrophobicContact CB-CG 4Å; V19-E59 HydrophobicContact CG2-CB 3.73Å; V19-E59 HydrophobicContact CG2-CG 4.23Å; K22-E59 VanDerWaalsContact CE-OE1 3.26Å; K22-E59 WeakPolarHBondContact CE-OE1 3.34Å; K22-E59 IonicContact NZ-OE1 3.4Å; K22-E59 PolarHBondContact NZ-OE1 3.35Å; K22-E59 IonicContact NZ-OE2 3.55Å; K22-E59 PolarHBondContact NZ-OE2 2.97Å; L55-E59 WeakPolarHBondContact O-CB 3.32Å; L55-E59 PolarHBondContact O-N 3.26Å; I56-E59 PolarHBondContact O-N 3.11Å; E59-T61 VanDerWaalsContact C-N 3.31Å; E59-T61 PolarHBondContact O-N 3.1Å; E59-K62 WeakPolarHBondContact O-CB 3.28Å; E59-K62 PolarHBondContact O-N 3.15Å; E59-L63 WeakPolarHBondContact O-CG 3.31Å; E59-L63 PolarHBondContact O-N 3.28Å |
| 60 | T | 82.9 | Confident | 83.8 | Confident | 15 Ų | 15 | 36.6 Ų | 36.6 | 9% | 0.092 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.8 | -43.1 | 172.1 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | A15 I56 L57 K62 L63 L64 L238 | A15-T60 WeakPolarHBondContact CB-OG1 3.46Å; I56-T60 WeakPolarHBondContact O-CB 3.46Å; I56-T60 PolarHBondContact O-N 3.5Å; I56-T60 PolarHBondContact O-OG1 3.36Å; L57-T60 PolarHBondContact O-N 2.78Å; T60-K62 PolarHBondContact O-N 2.58Å; T60-L63 PolarHBondContact O-N 3.03Å; T60-L64 HydrophobicContact CG2-CD1 4.05Å; T60-L64 WeakPolarHBondContact O-CG 3.48Å; T60-L64 PolarHBondContact O-N 2.98Å; T60-L238 HydrophobicContact CG2-CD1 4.31Å; T60-L238 HydrophobicContact CG2-CD2 3.83Å |
| 61 | T | 87.2 | Confident | 83.9 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.7 | -46 | 174.5 | -51.9 | 0 | 0 | 0 | 0 | 110.7 | L57 L58 E59 L63 L64 R65 L71 I74 I139 L238 G239 | L57-T61 WeakPolarHBondContact O-CB 3.46Å; L57-T61 PolarHBondContact O-N 3.06Å; L57-T61 PolarHBondContact O-OG1 3.42Å; L58-T61 WeakPolarHBondContact O-CB 3.45Å; L58-T61 PolarHBondContact O-N 2.86Å; E59-T61 VanDerWaalsContact C-N 3.31Å; E59-T61 PolarHBondContact O-N 3.1Å; T61-L63 PolarHBondContact O-N 2.71Å; T61-L64 PolarHBondContact O-N 3.38Å; T61-R65 HydrophobicContact CG2-CG 4.28Å; T61-R65 WeakPolarHBondContact O-CB 2.96Å; T61-R65 WeakPolarHBondContact O-CG 3.49Å; T61-R65 PolarHBondContact O-N 2.85Å; T61-L71 HydrophobicContact CG2-CD2 3.69Å; T61-I74 HydrophobicContact CG2-CD1 4.38Å; T61-I139 HydrophobicContact CG2-CG2 4.36Å; T61-L238 WeakPolarHBondContact OG1-CB 3.34Å; T61-L238 WeakPolarHBondContact OG1-CD2 3.47Å; T61-G239 PolarHBondContact OG1-N 3.46Å |
| 62 | K | 86.5 | Confident | 83.8 | Confident | 34 Ų | 34 | 41 Ų | 41 | 15% | 0.148 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.6 | -40.8 | 175.9 | -72.9 | 175.2 | 177.1 | -177.8 | 0 | 113.2 | L58 E59 T60 K66 I139 S140 | L58-K62 WeakPolarHBondContact O-CG 3.2Å; L58-K62 PolarHBondContact O-N 3.13Å; E59-K62 WeakPolarHBondContact O-CB 3.28Å; E59-K62 PolarHBondContact O-N 3.15Å; T60-K62 PolarHBondContact O-N 2.58Å; K62-K66 WeakPolarHBondContact O-CB 3.48Å; K62-K66 WeakPolarHBondContact O-CG 3.43Å; K62-K66 PolarHBondContact O-N 2.95Å; K62-I139 HydrophobicContact CB-CD1 4.49Å; K62-I139 HydrophobicContact CG-CD1 3.79Å; K62-I139 HydrophobicContact CG-CG2 4.03Å; K62-S140 WeakPolarHBondContact CE-OG 3.37Å; K62-S140 PolarHBondContact NZ-OG 3.21Å |
| 63 | L | 84.4 | Confident | 83.9 | Confident | 14 Ų | 14 | 42.1 Ų | 42.1 | 7% | 0.073 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.9 | -44.3 | 177.3 | -70.6 | 170.4 | 0 | 0 | 0 | 111.4 | E14 A15 E59 T60 T61 R65 K66 L67 | E14-L63 HydrophobicContact CB-CD1 4.13Å; E14-L63 HydrophobicContact CG-CD1 4.16Å; E14-L63 WeakPolarHBondContact OE1-CD2 3.48Å; A15-L63 HydrophobicContact CB-CD1 3.94Å; E59-L63 WeakPolarHBondContact O-CG 3.31Å; E59-L63 PolarHBondContact O-N 3.28Å; T60-L63 PolarHBondContact O-N 3.03Å; T61-L63 PolarHBondContact O-N 2.71Å; L63-R65 PolarHBondContact O-N 3.4Å; L63-K66 WeakPolarHBondContact O-CB 3.21Å; L63-K66 PolarHBondContact O-N 2.86Å; L63-L67 WeakPolarHBondContact O-CG 3.38Å; L63-L67 PolarHBondContact O-N 2.87Å |
| 64 | L | 84 | Confident | 83.9 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.4 | -36.5 | 176.5 | -66.8 | 169.5 | 0 | 0 | 0 | 112.7 | T60 T61 L67 G68 M69 I74 Y78 L238 | T60-L64 HydrophobicContact CG2-CD1 4.05Å; T60-L64 WeakPolarHBondContact O-CG 3.48Å; T60-L64 PolarHBondContact O-N 2.98Å; T61-L64 PolarHBondContact O-N 3.38Å; L64-L67 HydrophobicContact CD2-CD1 4.46Å; L64-L67 CarbonylContact O-C 3.48Å; L64-L67 PolarHBondContact O-N 2.86Å; L64-G68 PolarHBondContact O-N 3.08Å; L64-M69 HydrophobicContact CB-SD 4.32Å; L64-M69 HydrophobicContact CD2-SD 4.02Å; L64-M69 WeakPolarHBondContact O-CB 3.46Å; L64-M69 PolarHBondContact O-N 3.42Å; L64-I74 HydrophobicContact CB-CD1 3.64Å; L64-I74 HydrophobicContact CB-CG1 3.89Å; L64-I74 HydrophobicContact CD1-CG1 4.3Å; L64-I74 HydrophobicContact CD1-CG2 4.13Å; L64-Y78 HydrophobicContact CD1-CD2 3.96Å; L64-Y78 HydrophobicContact CD1-CE2 3.73Å; L64-Y78 HydrophobicContact CD1-CG 4.45Å; L64-Y78 HydrophobicContact CD2-CE2 3.99Å; L64-L238 HydrophobicContact CD1-CD1 3.69Å |
| 65 | R | 86 | Confident | 83.5 | Confident | 90 Ų | 90 | 44.8 Ų | 44.8 | 34% | 0.34 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.3 | -39.4 | 171.9 | -69.3 | -77.5 | -67 | 123.6 | -0.6 | 111.6 | T61 L63 L67 G68 M69 L71 I74 I139 | T61-R65 HydrophobicContact CG2-CG 4.28Å; T61-R65 WeakPolarHBondContact O-CB 2.96Å; T61-R65 WeakPolarHBondContact O-CG 3.49Å; T61-R65 PolarHBondContact O-N 2.85Å; L63-R65 PolarHBondContact O-N 3.4Å; R65-L67 VanDerWaalsContact C-N 3.29Å; R65-L67 PolarHBondContact O-N 3.45Å; R65-G68 PolarHBondContact O-N 3.35Å; R65-G68 VanDerWaalsContact O-N 3.08Å; R65-M69 WeakPolarHBondContact CD-O 3.45Å; R65-M69 PolarHBondContact NH1-O 2.78Å; R65-L71 HydrophobicContact CG-CD2 4.41Å; R65-I74 HydrophobicContact CG-CD1 3.74Å; R65-I139 HydrophobicContact CB-CD1 3.98Å; R65-I139 HydrophobicContact CG-CD1 3.75Å; R65-I139 HydrophobicContact CG-CG1 4.41Å |
| 66 | K | 84.5 | Confident | 83.3 | Confident | 167 Ų | 167 | 51.3 Ų | 51.3 | 73% | 0.726 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -65.2 | -28.1 | 171.7 | -76.8 | 173.3 | 176.5 | -179.7 | 0 | 113.5 | K62 L63 G68 | K62-K66 WeakPolarHBondContact O-CB 3.48Å; K62-K66 WeakPolarHBondContact O-CG 3.43Å; K62-K66 PolarHBondContact O-N 2.95Å; L63-K66 WeakPolarHBondContact O-CB 3.21Å; L63-K66 PolarHBondContact O-N 2.86Å; K66-G68 PolarHBondContact O-N 3.48Å |
| 67 | L | 83.6 | Confident | 83 | Confident | 129 Ų | 129 | 57 Ų | 57 | 68% | 0.675 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | 9.1 | 171.5 | -66.9 | 171.7 | 0 | 0 | 0 | 113.4 | L63 L64 R65 | L63-L67 WeakPolarHBondContact O-CG 3.38Å; L63-L67 PolarHBondContact O-N 2.87Å; L64-L67 HydrophobicContact CD2-CD1 4.46Å; L64-L67 CarbonylContact O-C 3.48Å; L64-L67 PolarHBondContact O-N 2.86Å; R65-L67 VanDerWaalsContact C-N 3.29Å; R65-L67 PolarHBondContact O-N 3.45Å |
| 68 | G | 84.1 | Confident | 82.6 | Confident | 63 Ų | 63 | 59.1 Ų | 59.1 | 65% | 0.649 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88 | 3.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L64 R65 K66 | L64-G68 PolarHBondContact O-N 3.08Å; R65-G68 PolarHBondContact O-N 3.35Å; R65-G68 VanDerWaalsContact O-N 3.08Å; K66-G68 PolarHBondContact O-N 3.48Å |
| 69 | M | 83.7 | Confident | 81.8 | Confident | 28 Ų | 28 | 60.7 Ų | 60.7 | 14% | 0.138 | 32% | 0.317 | C | S | . | . | trans | -73.8 | 149.6 | 176.1 | -58.6 | -172.8 | 67.6 | 0 | 0 | 111.7 | L64 R65 Q73 I74 M77 Y78 | L64-M69 HydrophobicContact CB-SD 4.32Å; L64-M69 HydrophobicContact CD2-SD 4.02Å; L64-M69 WeakPolarHBondContact O-CB 3.46Å; L64-M69 PolarHBondContact O-N 3.42Å; R65-M69 WeakPolarHBondContact CD-O 3.45Å; R65-M69 PolarHBondContact NH1-O 2.78Å; M69-Q73 HydrophobicContact CB-CB 4.48Å; M69-Q73 HydrophobicContact CE-CB 3.9Å; M69-Q73 WeakPolarHBondContact CE-O 3.35Å; M69-I74 HydrophobicContact CB-CD1 4.1Å; M69-I74 HydrophobicContact CB-CG1 3.75Å; M69-I74 HydrophobicContact CE-CG1 4.15Å; M69-I74 HydrophobicContact SD-CG1 4.24Å; M69-M77 HydrophobicContact CE-CB 4.33Å; M69-M77 HydrophobicContact CE-CE 3.96Å; M69-M77 HydrophobicContact CE-SD 3.94Å; M69-Y78 HydrophobicContact CE-CE2 3.98Å; M69-Y78 HydrophobicContact SD-CE2 4.04Å | ||
| 70 | T | 85.4 | Confident | 81 | Confident | 58 Ų | 58 | 61 Ų | 61 | 36% | 0.356 | 32% | 0.321 | S | S | . | . | trans | -82.7 | 160.9 | 165.8 | 70.5 | 0 | 0 | 0 | 0 | 111 | T72 Q73 I74 | T70-T72 PolarHBondContact O-N 3.31Å; T70-Q73 PolarHBondContact O-N 3.27Å; T70-Q73 WeakPolarHBondContact OG1-CG 3.5Å; T70-Q73 PolarHBondContact OG1-N 2.82Å; T70-Q73 VanDerWaalsContact OG1-N 3.1Å; T70-I74 VanDerWaalsContact O-CG1 3.28Å; T70-I74 WeakPolarHBondContact O-CG1 3.04Å; T70-I74 PolarHBondContact O-N 3.46Å | ||
| 71 | L | 79.5 | Confident | 80.3 | Confident | 42 Ų | 42 | 66.9 Ų | 66.9 | 22% | 0.22 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58 | -37.8 | 172.3 | -73.9 | 175.9 | 0 | 0 | 0 | 111.9 | T61 R65 I74 N75 E240 | T61-L71 HydrophobicContact CG2-CD2 3.69Å; R65-L71 HydrophobicContact CG-CD2 4.41Å; L71-I74 PolarHBondContact O-N 2.73Å; L71-N75 PolarHBondContact O-N 2.77Å; L71-E240 HydrophobicContact CD1-CG 4.36Å |
| 72 | T | 81.7 | Confident | 79.5 | Confident | 91 Ų | 91 | 68 Ų | 68 | 56% | 0.558 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -57.8 | -53.3 | 174.3 | -32.1 | 0 | 0 | 0 | 0 | 111.3 | T70 I74 N75 E76 | T70-T72 PolarHBondContact O-N 3.31Å; T72-I74 VanDerWaalsContact C-N 3.27Å; T72-I74 PolarHBondContact O-N 3.01Å; T72-N75 PolarHBondContact O-N 2.7Å; T72-N75 VanDerWaalsContact O-N 3.15Å; T72-E76 WeakPolarHBondContact O-CB 3.31Å; T72-E76 VanDerWaalsContact O-CG 3.29Å; T72-E76 WeakPolarHBondContact O-CG 3.42Å; T72-E76 PolarHBondContact O-N 3.45Å |
| 73 | Q | 82.6 | Confident | 78.8 | Confident | 84 Ų | 84 | 67 Ų | 67 | 39% | 0.393 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.5 | -33 | 178.7 | -72.1 | 169.4 | -20.1 | 0 | 0 | 112.9 | M69 T70 M77 | M69-Q73 HydrophobicContact CB-CB 4.48Å; M69-Q73 HydrophobicContact CE-CB 3.9Å; M69-Q73 WeakPolarHBondContact CE-O 3.35Å; T70-Q73 PolarHBondContact O-N 3.27Å; T70-Q73 WeakPolarHBondContact OG1-CG 3.5Å; T70-Q73 PolarHBondContact OG1-N 2.82Å; T70-Q73 VanDerWaalsContact OG1-N 3.1Å; Q73-M77 WeakPolarHBondContact O-CB 3.43Å; Q73-M77 PolarHBondContact O-N 2.04Å; Q73-M77 VanDerWaalsContact O-N 3.11Å |
| 74 | I | 81.8 | Confident | 78 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.2 | -48.4 | 175.3 | -70.5 | 166.2 | 0 | 0 | 0 | 109.6 | T61 L64 R65 M69 T70 L71 T72 E76 M77 Y78 L238 | T61-I74 HydrophobicContact CG2-CD1 4.38Å; L64-I74 HydrophobicContact CB-CD1 3.64Å; L64-I74 HydrophobicContact CB-CG1 3.89Å; L64-I74 HydrophobicContact CD1-CG1 4.3Å; L64-I74 HydrophobicContact CD1-CG2 4.13Å; R65-I74 HydrophobicContact CG-CD1 3.74Å; M69-I74 HydrophobicContact CB-CD1 4.1Å; M69-I74 HydrophobicContact CB-CG1 3.75Å; M69-I74 HydrophobicContact CE-CG1 4.15Å; M69-I74 HydrophobicContact SD-CG1 4.24Å; T70-I74 VanDerWaalsContact O-CG1 3.28Å; T70-I74 WeakPolarHBondContact O-CG1 3.04Å; T70-I74 PolarHBondContact O-N 3.46Å; L71-I74 PolarHBondContact O-N 2.73Å; T72-I74 VanDerWaalsContact C-N 3.27Å; T72-I74 PolarHBondContact O-N 3.01Å; I74-E76 PolarHBondContact O-N 3.39Å; I74-M77 PolarHBondContact O-N 2.98Å; I74-Y78 HydrophobicContact CG2-CD2 4.4Å; I74-Y78 WeakPolarHBondContact O-CB 3Å; I74-Y78 WeakPolarHBondContact O-CD2 3.41Å; I74-Y78 PolarHBondContact O-N 3.11Å; I74-L238 HydrophobicContact CG2-CB 3.51Å; I74-L238 HydrophobicContact CG2-CD1 3.51Å; I74-L238 HydrophobicContact CG2-CG 4.15Å |
| 75 | N | 76.1 | Confident | 77.2 | Confident | 77 Ų | 77 | 76.7 Ų | 76.7 | 41% | 0.412 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -69.6 | -32.9 | -178.8 | -70.7 | -12.6 | 0 | 0 | 0 | 113.3 | L71 T72 L238 | L71-N75 PolarHBondContact O-N 2.77Å; T72-N75 PolarHBondContact O-N 2.7Å; T72-N75 VanDerWaalsContact O-N 3.15Å; N75-L238 PolarHBondContact OD1-O 2.82Å |
| 76 | E | 78.9 | Confident | 76.1 | Confident | 147 Ų | 147 | 73.8 Ų | 73.8 | 69% | 0.687 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -68.9 | -36.5 | 173.2 | -72.2 | 168.3 | 173.2 | 0 | 0 | 112.8 | T72 I74 | T72-E76 WeakPolarHBondContact O-CB 3.31Å; T72-E76 VanDerWaalsContact O-CG 3.29Å; T72-E76 WeakPolarHBondContact O-CG 3.42Å; T72-E76 PolarHBondContact O-N 3.45Å; I74-E76 PolarHBondContact O-N 3.39Å |
| 77 | M | 76.5 | Confident | 75.1 | Confident | 118 Ų | 118 | 66.1 Ų | 66.1 | 58% | 0.581 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -95 | -26.5 | -171.2 | -166.8 | 175.2 | -58.5 | 0 | 0 | 114.1 | M69 Q73 I74 | M69-M77 HydrophobicContact CE-CB 4.33Å; M69-M77 HydrophobicContact CE-CE 3.96Å; M69-M77 HydrophobicContact CE-SD 3.94Å; Q73-M77 WeakPolarHBondContact O-CB 3.43Å; Q73-M77 PolarHBondContact O-N 2.04Å; Q73-M77 VanDerWaalsContact O-N 3.11Å; I74-M77 PolarHBondContact O-N 2.98Å |
| 78 | Y | 74.9 | Confident | 73.8 | Confident | 53 Ų | 53 | 70.1 Ų | 70.1 | 21% | 0.208 | 37% | 0.366 | C | S | . | . | trans | -117.7 | 74.3 | -176 | -62.6 | -89 | 0 | 0 | 0 | 110.8 | L64 M69 I74 V82 L238 | L64-Y78 HydrophobicContact CD1-CD2 3.96Å; L64-Y78 HydrophobicContact CD1-CE2 3.73Å; L64-Y78 HydrophobicContact CD1-CG 4.45Å; L64-Y78 HydrophobicContact CD2-CE2 3.99Å; M69-Y78 HydrophobicContact CE-CE2 3.98Å; M69-Y78 HydrophobicContact SD-CE2 4.04Å; I74-Y78 HydrophobicContact CG2-CD2 4.4Å; I74-Y78 WeakPolarHBondContact O-CB 3Å; I74-Y78 WeakPolarHBondContact O-CD2 3.41Å; I74-Y78 PolarHBondContact O-N 3.11Å; Y78-V82 HydrophobicContact CD1-CG1 3.79Å; Y78-V82 HydrophobicContact CG-CG1 4.41Å; Y78-L238 HydrophobicContact CD2-CD1 4.35Å; Y78-L238 HydrophobicContact CG-CD1 3.99Å | ||
| 79 | S | 69.5 | Low | 72.8 | Confident | 40 Ų | 40 | 71.4 Ų | 71.4 | 28% | 0.28 | 35% | 0.354 | S | S | . | . | trans | -60.9 | 159.9 | 170.9 | 76.1 | 0 | 0 | 0 | 0 | 111.6 | Q81 V82 I83 | S79-Q81 PolarHBondContact O-N 2.86Å; S79-V82 WeakPolarHBondContact O-CA 3.43Å; S79-V82 VanDerWaalsContact O-CB 3.3Å; S79-V82 WeakPolarHBondContact O-CB 3.32Å; S79-V82 PolarHBondContact O-N 2.89Å; S79-V82 PolarHBondContact OG-N 2.94Å; S79-I83 PolarHBondContact O-N 2.56Å | ||
| 80 | P | 67.6 | Low | 71.9 | Confident | 27 Ų | 27 | 71 Ų | 71 | 18% | 0.175 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56.4 | -36.2 | 177 | -28.1 | 36.6 | 0 | 0 | 0 | 113.7 | V82 I83 E84 N235 | P80-V82 VanDerWaalsContact C-N 3.34Å; P80-V82 PolarHBondContact O-N 2.82Å; P80-I83 PolarHBondContact O-N 3.38Å; P80-E84 WeakPolarHBondContact O-CB 3.47Å; P80-E84 PolarHBondContact O-N 3.45Å; P80-N235 WeakPolarHBondContact CB-O 3.48Å; P80-N235 HydrophobicContact CG-CB 4.08Å; P80-N235 WeakPolarHBondContact CG-O 3.45Å |
| 81 | Q | 68.6 | Low | 71.3 | Confident | 138 Ų | 138 | 68.7 Ų | 68.7 | 65% | 0.645 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63 | -39.6 | 173.5 | -66.4 | 166.4 | -29.4 | 0 | 0 | 111.7 | S79 I83 E84 E85 | S79-Q81 PolarHBondContact O-N 2.86Å; Q81-I83 VanDerWaalsContact C-N 3.34Å; Q81-E84 PolarHBondContact O-N 3.06Å; Q81-E85 WeakPolarHBondContact O-CB 3.15Å; Q81-E85 WeakPolarHBondContact O-CG 3.15Å; Q81-E85 PolarHBondContact O-N 3.13Å |
| 82 | V | 70.8 | Confident | 70.8 | Confident | 24 Ų | 24 | 67 Ų | 67 | 15% | 0.145 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.8 | -36.8 | 174.9 | 154.7 | 0 | 0 | 0 | 0 | 111.8 | Y78 S79 P80 V86 | Y78-V82 HydrophobicContact CD1-CG1 3.79Å; Y78-V82 HydrophobicContact CG-CG1 4.41Å; S79-V82 WeakPolarHBondContact O-CA 3.43Å; S79-V82 VanDerWaalsContact O-CB 3.3Å; S79-V82 WeakPolarHBondContact O-CB 3.32Å; S79-V82 PolarHBondContact O-N 2.89Å; S79-V82 PolarHBondContact OG-N 2.94Å; P80-V82 VanDerWaalsContact C-N 3.34Å; P80-V82 PolarHBondContact O-N 2.82Å; V82-V86 WeakPolarHBondContact O-CG2 3.44Å; V82-V86 PolarHBondContact O-N 3.14Å |
| 83 | I | 71 | Confident | 69.7 | Low | 12 Ų | 12 | 70 Ų | 70 | 6% | 0.062 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.5 | -44.2 | 175.7 | -63.6 | 166.7 | 0 | 0 | 0 | 109.9 | L57 S79 P80 Q81 V86 S87 C236 L238 | L57-I83 HydrophobicContact CD2-CG2 3.71Å; S79-I83 PolarHBondContact O-N 2.56Å; P80-I83 PolarHBondContact O-N 3.38Å; Q81-I83 VanDerWaalsContact C-N 3.34Å; I83-V86 PolarHBondContact O-N 3.23Å; I83-S87 WeakPolarHBondContact O-CB 3.39Å; I83-S87 PolarHBondContact O-N 3.4Å; I83-C236 WeakPolarHBondContact CD1-O 3.11Å; I83-L238 HydrophobicContact CD1-CD1 4.45Å; I83-L238 HydrophobicContact CD1-CG 3.96Å |
| 84 | E | 68 | Low | 68.4 | Low | 80 Ų | 80 | 72.4 Ų | 72.4 | 37% | 0.374 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68 | -37.2 | 178.4 | -167.1 | 166.7 | -153.4 | 0 | 0 | 113.1 | P80 Q81 V86 S87 | P80-E84 WeakPolarHBondContact O-CB 3.47Å; P80-E84 PolarHBondContact O-N 3.45Å; Q81-E84 PolarHBondContact O-N 3.06Å; E84-V86 PolarHBondContact O-N 2.03Å; E84-S87 PolarHBondContact O-N 2.96Å |
| 85 | E | 66 | Low | 67 | Low | 143 Ų | 143 | 80.5 Ų | 80.5 | 67% | 0.668 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -59.1 | -39.7 | 173.9 | -88.8 | -170.6 | 169.4 | 0 | 0 | 113.8 | R8 Q81 | R8-E85 IonicContact CZ-OE2 2.73Å; R8-E85 IonicContact NH1-OE2 3.99Å; R8-E85 PolarHBondContact NH1-OE2 2.83Å; R8-E85 IonicContact NH2-OE2 3.78Å; Q81-E85 WeakPolarHBondContact O-CB 3.15Å; Q81-E85 WeakPolarHBondContact O-CG 3.15Å; Q81-E85 PolarHBondContact O-N 3.13Å |
| 86 | V | 63.2 | Low | 65.7 | Low | 28 Ų | 28 | 82.1 Ų | 82.1 | 17% | 0.17 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -85.5 | -34.6 | -177.7 | -173.4 | 0 | 0 | 0 | 0 | 109.8 | R8 E12 V82 I83 E84 K88 | R8-V86 HydrophobicContact CG-CG2 4.04Å; E12-V86 HydrophobicContact CB-CG1 4.37Å; E12-V86 VanDerWaalsContact OE2-C 3.29Å; E12-V86 WeakPolarHBondContact OE2-CB 3.46Å; E12-V86 VanDerWaalsContact OE2-CG1 3.25Å; E12-V86 WeakPolarHBondContact OE2-CG1 3.48Å; V82-V86 WeakPolarHBondContact O-CG2 3.44Å; V82-V86 PolarHBondContact O-N 3.14Å; I83-V86 PolarHBondContact O-N 3.23Å; E84-V86 PolarHBondContact O-N 2.03Å; V86-K88 PolarHBondContact O-N 3.1Å; V86-K88 VanDerWaalsContact O-N 3.08Å |
| 87 | S | 63.3 | Low | 64.6 | Low | 6 Ų | 6 | 80.3 Ų | 80.3 | 4% | 0.042 | 39% | 0.393 | C | S | . | . | trans | -83.9 | 92 | -170.1 | -161 | 0 | 0 | 0 | 0 | 114.7 | E12 I83 E84 K89 G90 L91 | E12-S87 VanDerWaalsContact OE1-CA 3.25Å; E12-S87 WeakPolarHBondContact OE1-CA 3.02Å; E12-S87 WeakPolarHBondContact OE1-CB 3.18Å; E12-S87 PolarHBondContact OE1-OG 3.32Å; E12-S87 VanDerWaalsContact OE2-CA 3.3Å; E12-S87 WeakPolarHBondContact OE2-CA 2.99Å; E12-S87 WeakPolarHBondContact OE2-CB 3.41Å; E12-S87 PolarHBondContact OE2-N 3.38Å; I83-S87 WeakPolarHBondContact O-CB 3.39Å; I83-S87 PolarHBondContact O-N 3.4Å; E84-S87 PolarHBondContact O-N 2.96Å; S87-K89 PolarHBondContact O-N 3.05Å; S87-G90 PolarHBondContact O-N 2.85Å; S87-L91 WeakPolarHBondContact OG-CD1 3.43Å; S87-L91 WeakPolarHBondContact OG-CG 3.4Å | ||
| 88 | K | 57.6 | Low | 63.7 | Low | 213 Ų | 213 | 82 Ų | 82 | 93% | 0.926 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -8.7 | 173.2 | -61.7 | 176.9 | -175.8 | 170.4 | 0 | 115.4 | V86 | V86-K88 PolarHBondContact O-N 3.1Å; V86-K88 VanDerWaalsContact O-N 3.08Å |
| 89 | K | 62.3 | Low | 63 | Low | 91 Ų | 91 | 88.4 Ų | 88.4 | 40% | 0.396 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -9.1 | 173.6 | -73.6 | -170.1 | -176.5 | 171 | 0 | 113.4 | L16 D20 Y52 S87 L91 | L16-K89 HydrophobicContact CD2-CD 3.73Å; D20-K89 IonicContact OD1-NZ 2.74Å; D20-K89 IonicContact OD2-NZ 3.52Å; D20-K89 PolarHBondContact OD2-NZ 2.74Å; Y52-K89 PolarHBondContact OH-NZ 3.31Å; S87-K89 PolarHBondContact O-N 3.05Å; K89-L91 HydrophobicContact CB-CD2 4.17Å; K89-L91 HydrophobicContact CB-CG 4.37Å |
| 90 | G | 65.8 | Low | 63.2 | Low | 20 Ų | 20 | 87.6 Ų | 87.6 | 21% | 0.206 | 43% | 0.426 | C | S | . | . | trans | 64 | 45.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S87 C92 Q93 | S87-G90 PolarHBondContact O-N 2.85Å; G90-C92 PolarHBondContact O-N 3.4Å; G90-Q93 WeakPolarHBondContact O-CB 3.29Å; G90-Q93 WeakPolarHBondContact O-CG 3.4Å; G90-Q93 PolarHBondContact O-N 3.46Å; G90-Q93 VanDerWaalsContact O-N 3.09Å | ||
| 91 | L | 71 | Confident | 63.1 | Low | 8 Ų | 8 | 90 Ų | 90 | 4% | 0.042 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -37.9 | -174.2 | -65.2 | 172.4 | 0 | 0 | 0 | 113.1 | Y52 S53 I56 S87 K89 Q93 | Y52-L91 HydrophobicContact CE1-CD2 4.38Å; S53-L91 VanDerWaalsContact CB-O 3.24Å; S53-L91 WeakPolarHBondContact CB-O 3.48Å; S53-L91 PolarHBondContact OG-O 2.85Å; I56-L91 HydrophobicContact CB-CD1 4.08Å; I56-L91 HydrophobicContact CD1-CD1 4.3Å; I56-L91 HydrophobicContact CD1-CD2 3.49Å; I56-L91 VanDerWaalsContact CD1-CD2 3.49Å; I56-L91 HydrophobicContact CG2-CD1 3.53Å; S87-L91 WeakPolarHBondContact OG-CD1 3.43Å; S87-L91 WeakPolarHBondContact OG-CG 3.4Å; K89-L91 HydrophobicContact CB-CD2 4.17Å; K89-L91 HydrophobicContact CB-CG 4.37Å; L91-Q93 VanDerWaalsContact C-N 3.29Å; L91-Q93 PolarHBondContact O-N 2.92Å |
| 92 | C | 70.8 | Confident | 62.7 | Low | 6 Ų | 6 | 86.9 Ų | 86.9 | 4% | 0.041 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 42.5 | 176.2 | -66.3 | 0 | 0 | 0 | 0 | 111.7 | G90 R94 C236 | G90-C92 PolarHBondContact O-N 3.4Å; C92-R94 PolarHBondContact O-N 3.5Å; C92-C236 WeakPolarHBondContact CA-SG 3.26Å; C92-C236 HydrophobicContact CB-CB 3.67Å; C92-C236 WeakPolarHBondContact CB-SG 3.43Å; C92-C236 WeakPolarHBondContact SG-CB 3.04Å; C92-C236 CovalentContact SG-SG 2.04Å; C92-C236 PolarHBondContact SG-SG 3.3Å |
| 93 | Q | 57.3 | Low | 62.7 | Low | 155 Ų | 155 | 87.2 Ų | 87.2 | 72% | 0.724 | 45% | 0.454 | S | S | * | . | trans | -52.3 | 96.8 | 178.6 | -109.3 | 169.2 | 49.7 | 0 | 0 | 110.8 | G90 L91 E95 | G90-Q93 WeakPolarHBondContact O-CB 3.29Å; G90-Q93 WeakPolarHBondContact O-CG 3.4Å; G90-Q93 PolarHBondContact O-N 3.46Å; G90-Q93 VanDerWaalsContact O-N 3.09Å; L91-Q93 VanDerWaalsContact C-N 3.29Å; L91-Q93 PolarHBondContact O-N 2.92Å; Q93-E95 PolarHBondContact O-N 3.2Å | ||
| 94 | R | 55.1 | Low | 63.2 | Low | 135 Ų | 135 | 87.1 Ų | 87.1 | 51% | 0.509 | 46% | 0.456 | S | S | . | . | trans | -79.4 | 100.1 | 165.5 | -69.2 | 168.6 | 178.9 | -146.4 | -6.3 | 105.3 | C92 N235 | C92-R94 PolarHBondContact O-N 3.5Å; R94-N235 PolarHBondContact NH2-O 2.81Å; R94-N235 VanDerWaalsContact NH2-O 3.15Å | ||
| 95 | E | 52.3 | Low | 64.1 | Low | 170 Ų | 170 | 85.2 Ų | 85.2 | 79% | 0.794 | 45% | 0.447 | S | S | * | . | trans | -50.9 | 130.1 | 150.7 | -69.7 | -172.9 | 156 | 0 | 0 | 105.9 | Q93 I97 | Q93-E95 PolarHBondContact O-N 3.2Å; E95-I97 PolarHBondContact O-N 2.93Å | ||
| 96 | P | 49 | Very low | 65.2 | Low | 110 Ų | 110 | 79.2 Ų | 79.2 | 71% | 0.714 | 42% | 0.418 | S | S | * | . | trans | -56.3 | 130.6 | 179.3 | 25.1 | -33.1 | 0 | 0 | 0 | 106.8 | E98 | P96-E98 VanDerWaalsContact C-N 3.3Å; P96-E98 PolarHBondContact O-N 2.93Å | ||
| 97 | I | 56.5 | Low | 66.5 | Low | 109 Ų | 109 | 80 Ų | 80 | 56% | 0.559 | 42% | 0.423 | S | S | * | . | trans | -61.5 | 100.8 | 175.6 | -68.6 | 171.3 | 0 | 0 | 0 | 106.2 | E95 E99 P118 | E95-I97 PolarHBondContact O-N 2.93Å; I97-E99 PolarHBondContact O-N 3.24Å; I97-P118 HydrophobicContact CD1-CG 4.36Å; I97-P118 HydrophobicContact CG2-CG 3.8Å | ||
| 98 | E | 56.6 | Low | 67.7 | Low | 153 Ų | 153 | 80.9 Ų | 80.9 | 72% | 0.715 | 43% | 0.426 | S | S | * | . | trans | -54.7 | 133 | 164.4 | -66.8 | -167.7 | 142 | 0 | 0 | 106.9 | P96 C100 | P96-E98 VanDerWaalsContact C-N 3.3Å; P96-E98 PolarHBondContact O-N 2.93Å; E98-C100 PolarHBondContact O-N 2.99Å | ||
| 99 | E | 61.4 | Low | 69.1 | Low | 188 Ų | 188 | 72.5 Ų | 72.5 | 88% | 0.879 | 39% | 0.394 | S | S | * | . | trans | -54.4 | 115 | 179.5 | -67 | -172.4 | 133.1 | 0 | 0 | 108.4 | I97 A101 | I97-E99 PolarHBondContact O-N 3.24Å; E99-A101 VanDerWaalsContact C-N 3.29Å; E99-A101 PolarHBondContact O-N 2.9Å | ||
| 100 | C | 73.7 | Confident | 70.4 | Confident | 23 Ų | 23 | 68.1 Ų | 68.1 | 16% | 0.155 | 38% | 0.375 | C | S | . | . | trans | -63.1 | 89.1 | -171.5 | -76.8 | 0 | 0 | 0 | 0 | 111 | E98 C112 V115 P118 | E98-C100 PolarHBondContact O-N 2.99Å; C100-C112 WeakPolarHBondContact CA-SG 3.33Å; C100-C112 HydrophobicContact CB-CB 3.64Å; C100-C112 WeakPolarHBondContact CB-SG 3.1Å; C100-C112 WeakPolarHBondContact SG-CB 3.38Å; C100-C112 CovalentContact SG-SG 2.04Å; C100-C112 PolarHBondContact SG-SG 2.74Å; C100-V115 HydrophobicContact CB-CG1 4.22Å; C100-P118 WeakPolarHBondContact SG-CG 3.47Å | ||
| 101 | A | 64.3 | Low | 71.4 | Confident | 79 Ų | 79 | 69.8 Ų | 69.8 | 65% | 0.653 | 38% | 0.376 | S | S | * | . | trans | -55.3 | 150.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E99 G103 | E99-A101 VanDerWaalsContact C-N 3.29Å; E99-A101 PolarHBondContact O-N 2.9Å; A101-G103 PolarHBondContact O-N 3.28Å | ||
| 102 | A | 61.9 | Low | 72.1 | Confident | 71 Ų | 71 | 70.1 Ų | 70.1 | 59% | 0.587 | 38% | 0.378 | S | S | * | . | trans | -74.5 | 63 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | P553 | A102-P553 VanDerWaalsContact O-CD 3.26Å; A102-P553 WeakPolarHBondContact O-CD 3.3Å; A102-P553 WeakPolarHBondContact O-CG 3.34Å | ||
| 103 | G | 71 | Confident | 72.8 | Confident | 31 Ų | 31 | 69.8 Ų | 69.8 | 32% | 0.32 | 38% | 0.376 | S | S | . | . | trans | -82.1 | 144.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A101 F105 Y545 | A101-G103 PolarHBondContact O-N 3.28Å; G103-F105 PolarHBondContact O-N 3.09Å; G103-Y545 PolarHBondContact O-OH 2.76Å | ||
| 104 | G | 80.1 | Confident | 74 | Confident | 10 Ų | 10 | 62.5 Ų | 62.5 | 10% | 0.103 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -80.8 | 5.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | P553 | G104-P553 WeakPolarHBondContact CA-O 3.37Š|
| 105 | F | 88 | Confident | 75.2 | Confident | 40 Ų | 40 | 59 Ų | 59 | 18% | 0.175 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -138.8 | 131.9 | -170.2 | -52.6 | -67.7 | 0 | 0 | 0 | 111.9 | G103 R329 E330 K333 Y545 | G103-F105 PolarHBondContact O-N 3.09Å; F105-R329 HydrophobicContact CD1-CB 3.74Å; F105-R329 HydrophobicContact CD2-CB 4.05Å; F105-R329 HydrophobicContact CD2-CG 4.4Å; F105-R329 HydrophobicContact CE1-CB 3.8Å; F105-R329 HydrophobicContact CE2-CB 4.1Å; F105-R329 HydrophobicContact CG-CB 3.87Å; F105-R329 HydrophobicContact CG-CG 4.3Å; F105-R329 HydrophobicContact CZ-CB 3.98Å; F105-E330 HydrophobicContact CE1-CG 3.95Å; F105-E330 HydrophobicContact CZ-CG 3.92Å; F105-K333 HydrophobicContact CD1-CB 4.37Å; F105-K333 HydrophobicContact CD1-CD 4.37Å; F105-K333 HydrophobicContact CE1-CD 4.21Å; F105-Y545 VanDerWaalsContact C-CE1 3.44Å |
| 106 | R | 88.5 | Confident | 76.4 | Confident | 17 Ų | 17 | 54.1 Ų | 54.1 | 6% | 0.064 | 32% | 0.318 | C | S | . | . | trans | -59.4 | 140.7 | 173.5 | -154.1 | -162.5 | -49.4 | -88 | 9.8 | 111.4 | N113 L251 D252 R332 D543 Y545 | R106-N113 WeakPolarHBondContact CG-OD1 3.45Å; R106-N113 PolarHBondContact NH1-OD1 2.74Å; R106-L251 PolarHBondContact NH2-O 3.28Å; R106-D252 VanDerWaalsContact CD-OD2 3.31Å; R106-D252 WeakPolarHBondContact CD-OD2 3.3Å; R106-D252 IonicContact NE-OD2 3.56Å; R106-D252 PolarHBondContact NE-OD2 3.1Å; R106-R332 PolarHBondContact O-NH1 2.04Å; R106-D543 IonicContact CZ-OD1 3.93Å; R106-D543 IonicContact CZ-OD2 3.38Å; R106-D543 IonicContact NH1-OD1 2.97Å; R106-D543 PolarHBondContact NH1-OD1 2.96Å; R106-D543 IonicContact NH1-OD2 2.67Å; R106-D543 PolarHBondContact NH1-OD2 3.31Å; R106-D543 IonicContact NH2-OD1 3.86Å; R106-D543 IonicContact NH2-OD2 2.77Å; R106-D543 PolarHBondContact NH2-OD2 3.33Å; R106-Y545 HydrophobicContact CB-CD1 4.49Å; R106-Y545 HydrophobicContact CB-CD2 3.9Å; R106-Y545 HydrophobicContact CB-CE2 4.13Å; R106-Y545 HydrophobicContact CB-CG 4.09Å; R106-Y545 HydrophobicContact CG-CD2 3.83Å; R106-Y545 HydrophobicContact CG-CE2 4.04Å; R106-Y545 HydrophobicContact CG-CG 4.47Å | ||
| 107 | T | 89.5 | Confident | 78 | Confident | 46 Ų | 46 | 51.8 Ų | 51.8 | 28% | 0.282 | 30% | 0.297 | S | S | . | . | trans | -61.5 | 160.9 | 165.2 | 57.5 | 0 | 0 | 0 | 0 | 110.6 | G110 Y111 R332 | T107-G110 PolarHBondContact OG1-N 3.38Å; T107-Y111 WeakPolarHBondContact CG2-O 3.42Å; T107-Y111 PolarHBondContact OG1-N 2.87Å; T107-Y111 PolarHBondContact OG1-O 2.98Å; T107-R332 PolarHBondContact O-NH2 3.41Å | ||
| 108 | F | 88.9 | Confident | 79.2 | Confident | 24 Ų | 24 | 46.9 Ų | 46.9 | 11% | 0.105 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -21.7 | 172.9 | -59.7 | -76.7 | 0 | 0 | 0 | 112.6 | T248 N259 A264 F328 | F108-T248 WeakPolarHBondContact O-CG2 3.45Å; F108-N259 CarbonylContact O-C 3.58Å; F108-N259 WeakPolarHBondContact O-CA 3.19Å; F108-N259 VanDerWaalsContact O-O 3.13Å; F108-A264 HydrophobicContact CD1-CB 3.57Å; F108-A264 HydrophobicContact CD2-CB 4.08Å; F108-A264 HydrophobicContact CE1-CB 3.39Å; F108-A264 HydrophobicContact CE2-CB 3.92Å; F108-A264 HydrophobicContact CG-CB 3.91Å; F108-A264 HydrophobicContact CZ-CB 3.57Å; F108-F328 AromaticContact CE1-CE1 3.71Å; F108-F328 HydrophobicContact CE1-CE1 3.71Å; F108-F328 AromaticContact CE1-CZ 3.94Å; F108-F328 HydrophobicContact CE1-CZ 3.94Å; F108-F328 AromaticContact CZ-CE1 3.62Å; F108-F328 HydrophobicContact CZ-CE1 3.62Å; F108-F328 HydrophobicContact CZ-CZ 4.19Å |
| 109 | S | 87.7 | Confident | 80.5 | Confident | 36 Ų | 36 | 43.3 Ų | 43.3 | 25% | 0.252 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -3.2 | -177.6 | 48.2 | 0 | 0 | 0 | 0 | 113.8 | Y111 A122 V123 | S109-Y111 PolarHBondContact O-N 3.01Å; S109-Y111 WeakPolarHBondContact OG-CB 3.16Å; S109-A122 CarbonylContact O-C 3.37Å; S109-A122 WeakPolarHBondContact O-CA 2.93Å; S109-A122 WeakPolarHBondContact O-CB 3.48Å; S109-V123 PolarHBondContact O-N 3.32Å |
| 110 | G | 88.5 | Confident | 81.7 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | 67.6 | 4.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | T107 N113 | T107-G110 PolarHBondContact OG1-N 3.38Å; G110-N113 WeakPolarHBondContact O-CB 3.45Å; G110-N113 PolarHBondContact O-N 3.36Å | ||
| 111 | Y | 87.1 | Confident | 82.4 | Confident | 54 Ų | 54 | 36.1 Ų | 36.1 | 21% | 0.212 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 143.5 | 175 | -177.8 | -107.7 | 0 | 0 | 0 | 111.6 | T107 S109 N113 P118 M119 | T107-Y111 WeakPolarHBondContact CG2-O 3.42Å; T107-Y111 PolarHBondContact OG1-N 2.87Å; T107-Y111 PolarHBondContact OG1-O 2.98Å; S109-Y111 PolarHBondContact O-N 3.01Å; S109-Y111 WeakPolarHBondContact OG-CB 3.16Å; Y111-N113 VanDerWaalsContact C-N 3.25Å; Y111-N113 PolarHBondContact O-N 2.92Å; Y111-P118 WeakPolarHBondContact CA-O 3.46Å; Y111-P118 HydrophobicContact CD2-CB 4.07Å; Y111-P118 VanDerWaalsContact CD2-O 3.25Å; Y111-P118 WeakPolarHBondContact CD2-O 3.44Å; Y111-P118 HydrophobicContact CE2-CB 3.5Å; Y111-P118 VanDerWaalsContact CE2-CB 3.5Å; Y111-M119 HydrophobicContact CD2-SD 3.65Å; Y111-M119 HydrophobicContact CE2-SD 3.55Å; Y111-M119 VanDerWaalsContact CE2-SD 3.55Å |
| 112 | C | 86.4 | Confident | 83.5 | Confident | 15 Ų | 15 | 32.5 Ų | 32.5 | 10% | 0.101 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 21.5 | -173.8 | -72 | 0 | 0 | 0 | 0 | 115.4 | C100 P118 | C100-C112 WeakPolarHBondContact CA-SG 3.33Å; C100-C112 HydrophobicContact CB-CB 3.64Å; C100-C112 WeakPolarHBondContact CB-SG 3.1Å; C100-C112 WeakPolarHBondContact SG-CB 3.38Å; C100-C112 CovalentContact SG-SG 2.04Å; C100-C112 PolarHBondContact SG-SG 2.74Å; C112-P118 PolarHBondContact N-O 2.77Å |
| 113 | N | 85.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -70.7 | -37.1 | 172.9 | -146.1 | 85.4 | 0 | 0 | 0 | 112.7 | R106 G110 Y111 F250 Y373 D543 R544 Y545 | R106-N113 WeakPolarHBondContact CG-OD1 3.45Å; R106-N113 PolarHBondContact NH1-OD1 2.74Å; G110-N113 WeakPolarHBondContact O-CB 3.45Å; G110-N113 PolarHBondContact O-N 3.36Å; Y111-N113 VanDerWaalsContact C-N 3.25Å; Y111-N113 PolarHBondContact O-N 2.92Å; N113-F250 HydrophobicContact CB-CE1 4.16Å; N113-F250 HydrophobicContact CB-CE2 3.62Å; N113-F250 HydrophobicContact CB-CZ 3.41Å; N113-F250 VanDerWaalsContact CB-CZ 3.41Å; N113-F250 WeakPolarHBondContact ND2-CE1 3.28Å; N113-F250 WeakPolarHBondContact ND2-CZ 3.49Å; N113-Y373 PolarHBondContact O-OH 3.07Å; N113-D543 PolarHBondContact ND2-OD1 3.48Å; N113-R544 PolarHBondContact ND2-N 2.82Å; N113-R544 VanDerWaalsContact O-CB 3.27Å; N113-R544 WeakPolarHBondContact O-CB 3.16Å; N113-Y545 VanDerWaalsContact OD1-CD2 3.25Å; N113-Y545 WeakPolarHBondContact OD1-CD2 3.38Å |
| 114 | N | 82.8 | Confident | 85.5 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -102.6 | 127.3 | 163 | -179.1 | -39.4 | 0 | 0 | 0 | 107.5 | V116 H117 P118 M375 | N114-V116 PolarHBondContact OD1-N 2.77Å; N114-H117 CarbonylContact O-C 3.57Å; N114-H117 PolarHBondContact OD1-N 2.76Å; N114-P118 VanDerWaalsContact O-CA 3.24Å; N114-P118 WeakPolarHBondContact O-CA 3.39Å; N114-M375 PolarHBondContact ND2-O 3.15Å |
| 115 | V | 79.4 | Confident | 85.9 | Confident | 62 Ų | 62 | 30.9 Ų | 30.9 | 38% | 0.376 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -78.6 | -30.6 | -174.5 | 179.6 | 0 | 0 | 0 | 0 | 112 | C100 | C100-V115 HydrophobicContact CB-CG1 4.22Š|
| 116 | V | 78.5 | Confident | 86 | Confident | 68 Ų | 68 | 30 Ų | 30 | 41% | 0.412 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -78.9 | -34.4 | 177.1 | -176.2 | 0 | 0 | 0 | 0 | 110.7 | N114 M375 | N114-V116 PolarHBondContact OD1-N 2.77Å; V116-M375 HydrophobicContact CG2-CB 3.87Å; V116-M375 HydrophobicContact CG2-CE 4.46Å; V116-M375 HydrophobicContact CG2-CG 4.49Å; V116-M375 HydrophobicContact CG2-SD 4.05Å |
| 117 | H | 81.9 | Confident | 86.2 | Confident | 61 Ų | 61 | 29.5 Ų | 29.5 | 28% | 0.282 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -128.3 | 76.7 | -179.5 | -63.8 | -51.7 | 0 | 0 | 0 | 112 | N114 M119 W120 | N114-H117 CarbonylContact O-C 3.57Å; N114-H117 PolarHBondContact OD1-N 2.76Å; H117-M119 PolarHBondContact O-N 3.23Å; H117-W120 HydrophobicContact CB-CB 4.28Å; H117-W120 HydrophobicContact CB-CD2 3.38Å; H117-W120 HydrophobicContact CB-CE3 3.7Å; H117-W120 HydrophobicContact CB-CG 3.64Å; H117-W120 HydrophobicContact CB-CH2 4.5Å; H117-W120 HydrophobicContact CB-CZ2 4.23Å; H117-W120 HydrophobicContact CB-CZ3 4.25Å; H117-W120 AromaticContact CD2-CD2 4Å; H117-W120 AromaticContact CD2-CE2 3.83Å; H117-W120 AromaticContact CD2-CE3 3.73Å; H117-W120 AromaticContact CD2-CH2 3.19Å; H117-W120 WeakPolarHBondContact CD2-CH2 3.43Å; H117-W120 AromaticContact CD2-CZ2 3.46Å; H117-W120 VanDerWaalsContact CD2-CZ2 3.46Å; H117-W120 WeakPolarHBondContact CD2-CZ2 3.4Å; H117-W120 AromaticContact CD2-CZ3 3.33Å; H117-W120 WeakPolarHBondContact CD2-CZ3 3.22Å; H117-W120 AromaticContact CG-CD2 3.85Å; H117-W120 AromaticContact CG-CE2 3.69Å; H117-W120 AromaticContact CG-CE3 4Å; H117-W120 AromaticContact CG-CH2 3.93Å; H117-W120 AromaticContact CG-CZ2 3.75Å; H117-W120 AromaticContact NE2-CH2 3.7Å; H117-W120 AromaticContact NE2-CZ2 3.9Å; H117-W120 WeakPolarHBondContact O-CB 3.19Å; H117-W120 PolarHBondContact O-N 2.8Å |
| 118 | P | 82.2 | Confident | 86.3 | Confident | 6 Ų | 6 | 28 Ų | 28 | 4% | 0.039 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -20.8 | -169.3 | -30.3 | 39.6 | 0 | 0 | 0 | 116.7 | I97 C100 Y111 C112 N114 | I97-P118 HydrophobicContact CD1-CG 4.36Å; I97-P118 HydrophobicContact CG2-CG 3.8Å; C100-P118 WeakPolarHBondContact SG-CG 3.47Å; Y111-P118 WeakPolarHBondContact CA-O 3.46Å; Y111-P118 HydrophobicContact CD2-CB 4.07Å; Y111-P118 VanDerWaalsContact CD2-O 3.25Å; Y111-P118 WeakPolarHBondContact CD2-O 3.44Å; Y111-P118 HydrophobicContact CE2-CB 3.5Å; Y111-P118 VanDerWaalsContact CE2-CB 3.5Å; C112-P118 PolarHBondContact N-O 2.77Å; N114-P118 VanDerWaalsContact O-CA 3.24Å; N114-P118 WeakPolarHBondContact O-CA 3.39Å |
| 119 | M | 83 | Confident | 86.4 | Confident | 78 Ų | 78 | 29 Ų | 29 | 38% | 0.384 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -18.6 | 177.1 | -56.5 | -53.7 | -59.3 | 0 | 0 | 113.3 | Y111 H117 G121 A122 Q125 | Y111-M119 HydrophobicContact CD2-SD 3.65Å; Y111-M119 HydrophobicContact CE2-SD 3.55Å; Y111-M119 VanDerWaalsContact CE2-SD 3.55Å; H117-M119 PolarHBondContact O-N 3.23Å; M119-G121 PolarHBondContact O-N 2.98Å; M119-A122 WeakPolarHBondContact O-CB 3.49Å; M119-A122 PolarHBondContact O-N 3.45Å; M119-Q125 HydrophobicContact CB-CG 4.11Å; M119-Q125 HydrophobicContact CE-CG 4.27Å; M119-Q125 WeakPolarHBondContact O-CG 3.46Å |
| 120 | W | 86.9 | Confident | 86.5 | Confident | 59 Ų | 59 | 28.7 Ų | 28.7 | 22% | 0.223 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 128.7 | -174.6 | -73.2 | 0.9 | 0 | 0 | 0 | 111.6 | H117 A122 E376 E377 N378 P379 | H117-W120 HydrophobicContact CB-CB 4.28Å; H117-W120 HydrophobicContact CB-CD2 3.38Å; H117-W120 HydrophobicContact CB-CE3 3.7Å; H117-W120 HydrophobicContact CB-CG 3.64Å; H117-W120 HydrophobicContact CB-CH2 4.5Å; H117-W120 HydrophobicContact CB-CZ2 4.23Å; H117-W120 HydrophobicContact CB-CZ3 4.25Å; H117-W120 AromaticContact CD2-CD2 4Å; H117-W120 AromaticContact CD2-CE2 3.83Å; H117-W120 AromaticContact CD2-CE3 3.73Å; H117-W120 AromaticContact CD2-CH2 3.19Å; H117-W120 WeakPolarHBondContact CD2-CH2 3.43Å; H117-W120 AromaticContact CD2-CZ2 3.46Å; H117-W120 VanDerWaalsContact CD2-CZ2 3.46Å; H117-W120 WeakPolarHBondContact CD2-CZ2 3.4Å; H117-W120 AromaticContact CD2-CZ3 3.33Å; H117-W120 WeakPolarHBondContact CD2-CZ3 3.22Å; H117-W120 AromaticContact CG-CD2 3.85Å; H117-W120 AromaticContact CG-CE2 3.69Å; H117-W120 AromaticContact CG-CE3 4Å; H117-W120 AromaticContact CG-CH2 3.93Å; H117-W120 AromaticContact CG-CZ2 3.75Å; H117-W120 AromaticContact NE2-CH2 3.7Å; H117-W120 AromaticContact NE2-CZ2 3.9Å; H117-W120 WeakPolarHBondContact O-CB 3.19Å; H117-W120 PolarHBondContact O-N 2.8Å; W120-A122 PolarHBondContact O-N 2.79Å; W120-E376 WeakPolarHBondContact CH2-O 3.49Å; W120-E376 WeakPolarHBondContact CZ3-O 3.33Å; W120-E377 VanDerWaalsContact CZ3-C 3.42Å; W120-E377 VanDerWaalsContact CZ3-O 3.27Å; W120-E377 WeakPolarHBondContact CZ3-O 3.46Å; W120-N378 HydrophobicContact CD2-CB 4.04Å; W120-N378 HydrophobicContact CE3-CB 3.87Å; W120-N378 HydrophobicContact CH2-CB 4.33Å; W120-N378 HydrophobicContact CZ3-CB 4.02Å; W120-P379 HydrophobicContact CB-CG 4.11Å |
| 121 | G | 87.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | -1.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | M119 S249 F250 S380 | M119-G121 PolarHBondContact O-N 2.98Å; G121-S249 WeakPolarHBondContact CA-OG 3.46Å; G121-S249 PolarHBondContact O-N 3.13Å; G121-S249 PolarHBondContact O-OG 3.21Å; G121-F250 WeakPolarHBondContact O-CE2 3.41Å; G121-S380 PolarHBondContact N-OG 3.39Å |
| 122 | A | 89 | Confident | 86.6 | Confident | 4 Ų | 4 | 31.3 Ų | 31.3 | 3% | 0.033 | 18% | 0.175 | C | C | . | . | trans | -77.1 | 158.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S109 M119 W120 Q125 | S109-A122 CarbonylContact O-C 3.37Å; S109-A122 WeakPolarHBondContact O-CA 2.93Å; S109-A122 WeakPolarHBondContact O-CB 3.48Å; M119-A122 WeakPolarHBondContact O-CB 3.49Å; M119-A122 PolarHBondContact O-N 3.45Å; W120-A122 PolarHBondContact O-N 2.79Å; A122-Q125 HydrophobicContact CB-CG 4.4Å; A122-Q125 WeakPolarHBondContact O-CB 3.29Å; A122-Q125 WeakPolarHBondContact O-CG 3.22Å; A122-Q125 PolarHBondContact O-N 2.84Å | ||
| 123 | V | 88.3 | Confident | 86.8 | Confident | 10 Ų | 10 | 31.3 Ų | 31.3 | 6% | 0.061 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 151.6 | 179.6 | -63.5 | 0 | 0 | 0 | 0 | 112.4 | S109 Q125 T248 N259 | S109-V123 PolarHBondContact O-N 3.32Å; V123-Q125 PolarHBondContact O-N 3.37Å; V123-Q125 VanDerWaalsContact O-N 3.14Å; V123-Q125 PolarHBondContact O-NE2 3.37Å; V123-Q125 VanDerWaalsContact O-NE2 3.14Å; V123-T248 HydrophobicContact CG1-CG2 3.9Å; V123-N259 HydrophobicContact CG1-CB 3.95Å |
| 124 | F | 86.2 | Confident | 87 | Confident | 24 Ų | 24 | 33.5 Ų | 33.5 | 11% | 0.105 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 7.5 | -179.1 | -37.6 | -44.9 | 0 | 0 | 0 | 114.8 | H44 A46 A47 N245 Q246 | H44-F124 HydrophobicContact CB-CE1 4.02Å; H44-F124 HydrophobicContact CB-CZ 4.09Å; H44-F124 AromaticContact CG-CZ 3.97Å; H44-F124 AromaticContact ND1-CE2 3.71Å; H44-F124 AromaticContact ND1-CZ 3.24Å; H44-F124 WeakPolarHBondContact ND1-CZ 3.21Å; A46-F124 HydrophobicContact CB-CD2 3.95Å; A46-F124 HydrophobicContact CB-CE2 3.71Å; A46-F124 HydrophobicContact CB-CZ 4.44Å; A47-F124 HydrophobicContact CB-CB 4.44Å; A47-F124 HydrophobicContact CB-CD1 3.36Å; A47-F124 HydrophobicContact CB-CE1 3.8Å; A47-F124 HydrophobicContact CB-CG 3.93Å; F124-N245 WeakPolarHBondContact CA-O 3.36Å; F124-N245 PolarHBondContact N-O 3.18Å; F124-Q246 HydrophobicContact CD1-CB 4.24Å; F124-Q246 HydrophobicContact CD1-CG 4.18Å; F124-Q246 HydrophobicContact CE1-CB 4.08Å; F124-Q246 HydrophobicContact CE1-CG 4.34Å |
| 125 | Q | 87.7 | Confident | 87.4 | Confident | 44 Ų | 44 | 34.2 Ų | 34.2 | 21% | 0.206 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -83.9 | 166.4 | 170.8 | -60 | -34.3 | -76.5 | 0 | 0 | 112.2 | M119 A122 V123 A244 N245 | M119-Q125 HydrophobicContact CB-CG 4.11Å; M119-Q125 HydrophobicContact CE-CG 4.27Å; M119-Q125 WeakPolarHBondContact O-CG 3.46Å; A122-Q125 HydrophobicContact CB-CG 4.4Å; A122-Q125 WeakPolarHBondContact O-CB 3.29Å; A122-Q125 WeakPolarHBondContact O-CG 3.22Å; A122-Q125 PolarHBondContact O-N 2.84Å; V123-Q125 PolarHBondContact O-N 3.37Å; V123-Q125 VanDerWaalsContact O-N 3.14Å; V123-Q125 PolarHBondContact O-NE2 3.37Å; V123-Q125 VanDerWaalsContact O-NE2 3.14Å; Q125-A244 WeakPolarHBondContact O-CA 3.45Å; Q125-N245 PolarHBondContact O-N 2.67Å |
| 126 | A | 90.7 | Very high | 87.7 | Confident | 21 Ų | 21 | 36 Ų | 36 | 17% | 0.174 | 20% | 0.197 | C | C | . | . | B | Isolated β-bridge | trans | -63.1 | 139.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A231 Q242 Q243 | A126-A231 HydrophobicContact CB-CB 3.81Å; A126-Q242 HydrophobicContact CB-CB 3.59Å; A126-Q242 HydrophobicContact CB-CG 4.08Å; A126-Q243 WeakPolarHBondContact CA-O 3.4Å |
| 127 | F | 92.4 | Very high | 88 | Confident | 7 Ų | 7 | 35 Ų | 35 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -54.7 | 142.7 | 157.7 | -65.3 | -73.8 | 0 | 0 | 0 | 110.1 | V189 I191 Q243 N245 V381 N383 A386 | F127-V189 HydrophobicContact CE1-CG1 4.16Å; F127-V189 HydrophobicContact CZ-CG1 4.07Å; F127-I191 HydrophobicContact CE2-CG1 3.93Å; F127-I191 HydrophobicContact CZ-CD1 4.46Å; F127-I191 HydrophobicContact CZ-CG1 3.75Å; F127-Q243 HydrophobicContact CD2-CB 4.01Å; F127-Q243 WeakPolarHBondContact CD2-O 3.36Å; F127-Q243 HydrophobicContact CE2-CB 4.3Å; F127-Q243 PolarHBondContact N-O 3.03Å; F127-Q243 VanDerWaalsContact N-O 3.12Å; F127-N245 HydrophobicContact CD1-CB 3.98Å; F127-N245 HydrophobicContact CE1-CB 3.47Å; F127-N245 VanDerWaalsContact CE1-CB 3.47Å; F127-N245 VanDerWaalsContact CE1-CG 3.41Å; F127-N245 HydrophobicContact CE2-CB 4.13Å; F127-N245 HydrophobicContact CZ-CB 3.55Å; F127-V381 CarbonylContact C-O 3.49Å; F127-V381 VanDerWaalsContact CA-O 3.29Å; F127-V381 WeakPolarHBondContact CA-O 3.29Å; F127-V381 VanDerWaalsContact CB-O 3.31Å; F127-V381 WeakPolarHBondContact CB-O 3.12Å; F127-V381 HydrophobicContact CD1-CB 4.02Å; F127-V381 HydrophobicContact CD1-CG1 4.05Å; F127-V381 WeakPolarHBondContact CD1-O 3.44Å; F127-V381 HydrophobicContact CE1-CB 4.34Å; F127-V381 HydrophobicContact CE1-CG1 4.23Å; F127-N383 HydrophobicContact CB-CB 3.7Å; F127-N383 WeakPolarHBondContact CD2-OD1 3.37Å; F127-N383 HydrophobicContact CG-CB 4.36Å; F127-A386 HydrophobicContact CD1-CB 3.78Å; F127-A386 HydrophobicContact CE1-CB 3.43Å; F127-A386 VanDerWaalsContact CE1-CB 3.43Å; F127-A386 HydrophobicContact CE2-CB 4.4Å; F127-A386 HydrophobicContact CG-CB 4.4Å; F127-A386 HydrophobicContact CZ-CB 3.79Å |
| 128 | S | 91.4 | Very high | 88.2 | Confident | 15 Ų | 15 | 33.3 Ų | 33.3 | 11% | 0.105 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -77 | 176.1 | 165.6 | 80.5 | 0 | 0 | 0 | 0 | 110 | S380 V381 L382 N383 K537 | S128-S380 VanDerWaalsContact CB-O 3.25Å; S128-S380 WeakPolarHBondContact CB-O 3.36Å; S128-S380 PolarHBondContact OG-O 2.94Å; S128-V381 PolarHBondContact N-O 3.22Å; S128-L382 CarbonylContact O-C 3.59Å; S128-L382 WeakPolarHBondContact O-CA 3.49Å; S128-N383 WeakPolarHBondContact O-CB 3.19Å; S128-N383 PolarHBondContact O-N 2.81Å; S128-K537 PolarHBondContact OG-NZ 3.23Å |
| 129 | R | 90.7 | Very high | 88.5 | Confident | 43 Ų | 43 | 33.4 Ų | 33.4 | 16% | 0.162 | 19% | 0.189 | C | C | . | . | trans | -138.9 | 152.3 | -178.4 | -63 | -179.3 | -175.8 | -92.7 | 3.2 | 110.9 | V131 N383 E384 H464 | R129-V131 WeakPolarHBondContact CB-O 2.99Å; R129-V131 WeakPolarHBondContact CD-O 3.04Å; R129-N383 HydrophobicContact CG-CB 4.09Å; R129-N383 VanDerWaalsContact CZ-ND2 3.28Å; R129-N383 PolarHBondContact NH1-ND2 3.12Å; R129-N383 VanDerWaalsContact NH1-ND2 3.14Å; R129-N383 PolarHBondContact NH2-ND2 2.83Å; R129-E384 WeakPolarHBondContact CA-OE2 3.32Å; R129-H464 PolarHBondContact NH1-O 3.37Å; R129-H464 PolarHBondContact NH2-O 3.49Å | ||
| 130 | L | 89.8 | Confident | 88.8 | Confident | 30 Ų | 30 | 29.7 Ų | 29.7 | 16% | 0.157 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -81.4 | -37.3 | 163.4 | -66.2 | -175.1 | 0 | 0 | 0 | 111.2 | L382 E384 M472 H475 I530 K533 | L130-L382 HydrophobicContact CD1-CD1 4.13Å; L130-L382 HydrophobicContact CD2-CD1 3.68Å; L130-L382 HydrophobicContact CD2-CD2 3.64Å; L130-L382 HydrophobicContact CD2-CG 4.33Å; L130-L382 HydrophobicContact CG-CD1 3.83Å; L130-L382 HydrophobicContact CG-CD2 3.87Å; L130-L382 HydrophobicContact CG-CG 4.4Å; L130-E384 WeakPolarHBondContact CA-OE1 3.21Å; L130-E384 VanDerWaalsContact N-CD 3.28Å; L130-E384 PolarHBondContact N-OE1 3.49Å; L130-E384 PolarHBondContact N-OE2 3.15Å; L130-E384 VanDerWaalsContact N-OE2 3.12Å; L130-M472 HydrophobicContact CB-CE 4.42Å; L130-M472 HydrophobicContact CB-SD 4.45Å; L130-M472 HydrophobicContact CD1-SD 3.92Å; L130-H475 PolarHBondContact O-CE1 2.97Å; L130-H475 PolarHBondContact O-ND1 3.48Å; L130-I530 HydrophobicContact CD1-CG1 4.19Å; L130-K533 HydrophobicContact CD1-CD 3.92Å; L130-K533 HydrophobicContact CD2-CB 4.15Å; L130-K533 HydrophobicContact CD2-CD 3.68Å; L130-K533 HydrophobicContact CG-CD 4.47Å |
| 131 | V | 89.5 | Confident | 88.8 | Confident | 37 Ų | 37 | 29.1 Ų | 29.1 | 22% | 0.224 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -132.6 | 143.1 | -176 | -175.3 | 0 | 0 | 0 | 0 | 110.2 | R129 E384 P467 M472 H475 | R129-V131 WeakPolarHBondContact CB-O 2.99Å; R129-V131 WeakPolarHBondContact CD-O 3.04Å; V131-E384 PolarHBondContact N-OE1 2.83Å; V131-P467 HydrophobicContact CB-CG 3.97Å; V131-P467 HydrophobicContact CG1-CB 4.38Å; V131-P467 HydrophobicContact CG1-CG 3.74Å; V131-M472 HydrophobicContact CB-CE 4.21Å; V131-M472 HydrophobicContact CG2-CE 3.65Å; V131-H475 HydrophobicContact CG2-CB 3.65Å |
| 132 | A | 88.2 | Confident | 88.7 | Confident | 72 Ų | 72 | 30.1 Ų | 30.1 | 60% | 0.595 | 18% | 0.18 | S | C | * | . | trans | -55.3 | 144.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S134 P467 | A132-S134 PolarHBondContact O-N 3.25Å; A132-P467 WeakPolarHBondContact O-CG 3.39Å | ||
| 133 | P | 90.9 | Very high | 88.5 | Confident | 15 Ų | 15 | 30.9 Ų | 30.9 | 10% | 0.097 | 18% | 0.182 | C | C | . | . | trans | -65.7 | 135.4 | -173.2 | 25.7 | -32.9 | 0 | 0 | 0 | 112.6 | Y135 E240 G465 | P133-Y135 HydrophobicContact CB-CD2 3.75Å; P133-Y135 HydrophobicContact CB-CE2 3.51Å; P133-Y135 HydrophobicContact CG-CD2 3.97Å; P133-Y135 HydrophobicContact CG-CE2 3.81Å; P133-Y135 PolarHBondContact O-N 3.2Å; P133-E240 WeakPolarHBondContact CD-OE2 3.44Å; P133-E240 HydrophobicContact CG-CB 4.2Å; P133-E240 HydrophobicContact CG-CG 4.39Å; P133-E240 WeakPolarHBondContact CG-OE2 3.44Å; P133-G465 CarbonylContact C-O 3.3Å; P133-G465 VanDerWaalsContact CA-O 3.26Å; P133-G465 WeakPolarHBondContact CA-O 3.2Å | ||
| 134 | S | 90.3 | Very high | 88.2 | Confident | 47 Ų | 47 | 33.9 Ų | 33.9 | 33% | 0.329 | 20% | 0.195 | S | C | . | . | trans | -83.5 | 92.7 | 171.4 | -167.1 | 0 | 0 | 0 | 0 | 109.7 | A132 G465 | A132-S134 PolarHBondContact O-N 3.25Å; S134-G465 PolarHBondContact N-O 3.15Å | ||
| 135 | Y | 90.3 | Very high | 87.9 | Confident | 16 Ų | 16 | 33.4 Ų | 33.4 | 6% | 0.063 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -115.7 | 135.7 | 170.2 | -64.5 | -52.7 | 0 | 0 | 0 | 110.7 | P133 D137 G138 I139 S140 T141 E240 R241 Q243 D463 | P133-Y135 HydrophobicContact CB-CD2 3.75Å; P133-Y135 HydrophobicContact CB-CE2 3.51Å; P133-Y135 HydrophobicContact CG-CD2 3.97Å; P133-Y135 HydrophobicContact CG-CE2 3.81Å; P133-Y135 PolarHBondContact O-N 3.2Å; Y135-D137 PolarHBondContact O-N 3.09Å; Y135-G138 PolarHBondContact O-N 3.09Å; Y135-I139 VanDerWaalsContact CD2-C 3.49Å; Y135-I139 WeakPolarHBondContact CD2-O 3.42Å; Y135-S140 VanDerWaalsContact CD1-C 3.41Å; Y135-T141 CarbonylContact C-O 3.48Å; Y135-T141 WeakPolarHBondContact CA-O 3.21Å; Y135-T141 WeakPolarHBondContact CB-O 3.24Å; Y135-E240 HydrophobicContact CD2-CB 4.4Å; Y135-E240 HydrophobicContact CE2-CB 4.31Å; Y135-R241 HydrophobicContact CE2-CB 4.14Å; Y135-R241 WeakPolarHBondContact CE2-O 3.49Å; Y135-R241 PolarHBondContact OH-O 2.83Å; Y135-Q243 PolarHBondContact OH-NE2 2.81Å; Y135-D463 PolarHBondContact OH-O 3.3Å |
| 136 | Q | 86.8 | Confident | 87.3 | Confident | 98 Ų | 98 | 35.6 Ų | 35.6 | 46% | 0.458 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -42.3 | -178.4 | -176.6 | -146 | 15.3 | 0 | 0 | 112.8 | G138 T141 E144 | Q136-G138 VanDerWaalsContact C-N 3.29Å; Q136-T141 HydrophobicContact CB-CG2 4.43Å; Q136-T141 PolarHBondContact N-O 3.22Å; Q136-E144 HydrophobicContact CG-CG 4.19Å; Q136-E144 PolarHBondContact NE2-OE1 2.92Å; Q136-E144 PolarHBondContact NE2-OE2 3.22Å |
| 137 | D | 85.5 | Confident | 86.7 | Confident | 47 Ų | 47 | 38.2 Ų | 38.2 | 25% | 0.251 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -3.3 | 177.2 | 61.5 | -6.5 | 0 | 0 | 0 | 113.4 | Y135 I139 S140 T141 | Y135-D137 PolarHBondContact O-N 3.09Å; D137-I139 PolarHBondContact O-N 2.91Å; D137-I139 WeakPolarHBondContact OD1-CA 3.42Å; D137-I139 PolarHBondContact OD1-N 2.83Å; D137-S140 PolarHBondContact OD1-N 2.7Å; D137-S140 PolarHBondContact OD2-N 2.76Å; D137-S140 PolarHBondContact OD2-OG 3.28Å; D137-T141 VanDerWaalsContact CG-CB 3.48Å; D137-T141 VanDerWaalsContact CG-N 3.34Å; D137-T141 PolarHBondContact OD1-N 2.84Å; D137-T141 WeakPolarHBondContact OD2-CB 3.19Å; D137-T141 PolarHBondContact OD2-N 3.42Å; D137-T141 PolarHBondContact OD2-OG1 3.15Å |
| 138 | G | 85.7 | Confident | 85.8 | Confident | 26 Ų | 26 | 40 Ų | 40 | 27% | 0.268 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 62.1 | 28.8 | -168 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y135 Q136 | Y135-G138 PolarHBondContact O-N 3.09Å; Q136-G138 VanDerWaalsContact C-N 3.29Å |
| 139 | I | 88.4 | Confident | 85.3 | Confident | 9 Ų | 9 | 44.5 Ų | 44.5 | 5% | 0.046 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -142 | -50.3 | -178.9 | -51.1 | 168.2 | 0 | 0 | 0 | 111.8 | L58 T61 K62 R65 Y135 D137 E240 R241 | L58-I139 HydrophobicContact CD1-CG2 3.71Å; L58-I139 HydrophobicContact CG-CG2 4.5Å; T61-I139 HydrophobicContact CG2-CG2 4.36Å; K62-I139 HydrophobicContact CB-CD1 4.49Å; K62-I139 HydrophobicContact CG-CD1 3.79Å; K62-I139 HydrophobicContact CG-CG2 4.03Å; R65-I139 HydrophobicContact CB-CD1 3.98Å; R65-I139 HydrophobicContact CG-CD1 3.75Å; R65-I139 HydrophobicContact CG-CG1 4.41Å; Y135-I139 VanDerWaalsContact CD2-C 3.49Å; Y135-I139 WeakPolarHBondContact CD2-O 3.42Å; D137-I139 PolarHBondContact O-N 2.91Å; D137-I139 WeakPolarHBondContact OD1-CA 3.42Å; D137-I139 PolarHBondContact OD1-N 2.83Å; I139-E240 CarbonylContact O-C 3.5Å; I139-E240 WeakPolarHBondContact O-CA 3.49Å; I139-R241 PolarHBondContact O-N 3.33Å |
| 140 | S | 88.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -168.7 | -14.6 | -171.7 | 64.3 | 0 | 0 | 0 | 0 | 116 | K62 Y135 D137 R227 | K62-S140 WeakPolarHBondContact CE-OG 3.37Å; K62-S140 PolarHBondContact NZ-OG 3.21Å; Y135-S140 VanDerWaalsContact CD1-C 3.41Å; D137-S140 PolarHBondContact OD1-N 2.7Å; D137-S140 PolarHBondContact OD2-N 2.76Å; D137-S140 PolarHBondContact OD2-OG 3.28Å; S140-R227 VanDerWaalsContact O-CZ 3.22Å; S140-R227 PolarHBondContact O-NH1 3.11Å; S140-R227 PolarHBondContact O-NH2 3.3Å |
| 141 | T | 87.9 | Confident | 84.4 | Confident | 46 Ų | 46 | 49.1 Ų | 49.1 | 28% | 0.282 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -78.8 | 125.5 | -172.6 | -58.8 | 0 | 0 | 0 | 0 | 107.8 | Y135 Q136 D137 | Y135-T141 CarbonylContact C-O 3.48Å; Y135-T141 WeakPolarHBondContact CA-O 3.21Å; Y135-T141 WeakPolarHBondContact CB-O 3.24Å; Q136-T141 HydrophobicContact CB-CG2 4.43Å; Q136-T141 PolarHBondContact N-O 3.22Å; D137-T141 VanDerWaalsContact CG-CB 3.48Å; D137-T141 VanDerWaalsContact CG-N 3.34Å; D137-T141 PolarHBondContact OD1-N 2.84Å; D137-T141 WeakPolarHBondContact OD2-CB 3.19Å; D137-T141 PolarHBondContact OD2-N 3.42Å; D137-T141 PolarHBondContact OD2-OG1 3.15Å |
| 142 | P | 84.2 | Confident | 84.2 | Confident | 21 Ų | 21 | 50.1 Ų | 50.1 | 14% | 0.136 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -52.5 | 146.3 | -175.3 | -29.6 | 37.5 | 0 | 0 | 0 | 112.9 | F210 | P142-F210 HydrophobicContact CB-CE1 3.91Å; P142-F210 HydrophobicContact CB-CE2 4.1Å; P142-F210 HydrophobicContact CB-CZ 3.54Å; P142-F210 HydrophobicContact CG-CD1 3.97Å; P142-F210 HydrophobicContact CG-CD2 4.17Å; P142-F210 HydrophobicContact CG-CE1 3.59Å; P142-F210 HydrophobicContact CG-CE2 3.82Å; P142-F210 HydrophobicContact CG-CG 4.26Å; P142-F210 HydrophobicContact CG-CZ 3.51Å |
| 143 | R | 85 | Confident | 84 | Confident | 21 Ų | 21 | 48.6 Ų | 48.6 | 8% | 0.079 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 142.6 | -174.4 | 72.6 | -172.8 | -176.8 | 102.3 | 6.5 | 113.1 | L151 N505 D507 | R143-L151 HydrophobicContact CG-CD1 3.73Å; R143-N505 PolarHBondContact NH1-O 3.41Å; R143-N505 PolarHBondContact NH2-O 3.24Å; R143-D507 IonicContact CZ-OD1 3Å; R143-D507 IonicContact NE-OD1 3.8Å; R143-D507 IonicContact NH2-OD1 3.68Å; R143-D507 PolarHBondContact NH2-OD1 3.08Å |
| 144 | E | 81.9 | Confident | 83.8 | Confident | 72 Ų | 72 | 47.9 Ų | 47.9 | 34% | 0.336 | 28% | 0.275 | S | S | . | . | trans | -90.1 | 176.8 | 165.6 | -78.3 | 174.6 | 164.7 | 0 | 0 | 111.1 | Q136 L149 | Q136-E144 HydrophobicContact CG-CG 4.19Å; Q136-E144 PolarHBondContact NE2-OE1 2.92Å; Q136-E144 PolarHBondContact NE2-OE2 3.22Å; E144-L149 WeakPolarHBondContact CB-O 3.23Å | ||
| 145 | S | 79.5 | Confident | 83.5 | Confident | 14 Ų | 14 | 45.8 Ų | 45.8 | 10% | 0.098 | 26% | 0.26 | C | S | . | . | trans | -63.5 | 155.9 | 166 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | D147 G148 L149 N505 | S145-D147 WeakPolarHBondContact CB-OD1 3.47Å; S145-D147 PolarHBondContact O-N 2.95Å; S145-D147 PolarHBondContact OG-OD1 2.76Å; S145-G148 PolarHBondContact O-N 3.2Å; S145-L149 WeakPolarHBondContact CB-O 3.24Å; S145-L149 PolarHBondContact N-O 2.97Å; S145-N505 WeakPolarHBondContact CA-OD1 3.41Å; S145-N505 PolarHBondContact OG-ND2 2.97Å | ||
| 146 | T | 76.3 | Confident | 83.1 | Confident | 91 Ų | 91 | 48.2 Ų | 48.2 | 56% | 0.558 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -8.1 | 178 | 49.8 | 0 | 0 | 0 | 0 | 116.1 | R502 E504 N505 | T146-R502 PolarHBondContact OG1-NH1 2.63Å; T146-R502 VanDerWaalsContact OG1-NH1 3.14Å; T146-E504 HydrophobicContact CG2-CB 3.76Å; T146-N505 PolarHBondContact N-OD1 3.01Å; T146-N505 VanDerWaalsContact N-OD1 3.13Å |
| 147 | D | 76.5 | Confident | 82.8 | Confident | 75 Ų | 75 | 44.4 Ų | 44.4 | 40% | 0.401 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 7.3 | 173.3 | 57.5 | -3.2 | 0 | 0 | 0 | 114.5 | S145 L149 R502 | S145-D147 WeakPolarHBondContact CB-OD1 3.47Å; S145-D147 PolarHBondContact O-N 2.95Å; S145-D147 PolarHBondContact OG-OD1 2.76Å; D147-L149 WeakPolarHBondContact OD1-CB 3.22Å; D147-L149 WeakPolarHBondContact OD1-CG 3.22Å; D147-L149 PolarHBondContact OD1-N 3.04Å; D147-L149 WeakPolarHBondContact OD2-CD1 3.3Å; D147-R502 IonicContact OD1-NH1 3.64Å; D147-R502 PolarHBondContact OD1-NH1 3.15Å; D147-R502 IonicContact OD2-CZ 3.23Å; D147-R502 VanDerWaalsContact OD2-CZ 3.25Å; D147-R502 IonicContact OD2-NH1 3.66Å; D147-R502 PolarHBondContact OD2-NH1 3.41Å; D147-R502 IonicContact OD2-NH2 2.74Å; D147-R502 PolarHBondContact OD2-NH2 2.85Å |
| 148 | G | 75.3 | Confident | 82.5 | Confident | 46 Ų | 46 | 42.2 Ų | 42.2 | 47% | 0.474 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 78.2 | 18.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S145 | S145-G148 PolarHBondContact O-N 3.2Š|
| 149 | L | 80 | Confident | 81.9 | Confident | 108 Ų | 108 | 45 Ų | 45 | 57% | 0.565 | 25% | 0.252 | S | S | * | . | P | Polyproline II helix | trans | -89.4 | 156.5 | 167.7 | -60.8 | 179.6 | 0 | 0 | 0 | 111.5 | E144 S145 D147 | E144-L149 WeakPolarHBondContact CB-O 3.23Å; S145-L149 WeakPolarHBondContact CB-O 3.24Å; S145-L149 PolarHBondContact N-O 2.97Å; D147-L149 WeakPolarHBondContact OD1-CB 3.22Å; D147-L149 WeakPolarHBondContact OD1-CG 3.22Å; D147-L149 PolarHBondContact OD1-N 3.04Å; D147-L149 WeakPolarHBondContact OD2-CD1 3.3Å |
| 150 | E | 76.3 | Confident | 81.1 | Confident | 155 Ų | 155 | 46.7 Ų | 46.7 | 72% | 0.724 | 26% | 0.262 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 139.8 | 169.7 | -68.1 | -169.8 | 172.8 | 0 | 0 | 110.9 | ||
| 151 | L | 85.1 | Confident | 80.4 | Confident | 15 Ų | 15 | 47.3 Ų | 47.3 | 8% | 0.079 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 147.2 | 170.1 | -73.5 | -179 | 0 | 0 | 0 | 110.8 | R143 T153 N505 | R143-L151 HydrophobicContact CG-CD1 3.73Å; L151-T153 PolarHBondContact O-N 3.12Å; L151-N505 HydrophobicContact CD2-CB 3.85Å |
| 152 | P | 84.7 | Confident | 79.5 | Confident | 59 Ų | 59 | 47.4 Ų | 47.4 | 38% | 0.383 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -49.2 | 135.4 | 173.2 | -25.9 | 34 | 0 | 0 | 0 | 111.2 | L156 V157 R462 | P152-L156 HydrophobicContact CB-CD2 4.15Å; P152-V157 HydrophobicContact CB-CG2 4Å; P152-R462 VanDerWaalsContact O-CZ 3.26Å; P152-R462 PolarHBondContact O-NH1 3.22Å; P152-R462 PolarHBondContact O-NH2 3.43Å |
| 153 | T | 85.7 | Confident | 78.4 | Confident | 40 Ų | 40 | 49.4 Ų | 49.4 | 25% | 0.245 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 148.5 | -171.9 | 77.8 | 0 | 0 | 0 | 0 | 111.3 | L151 S155 L156 V157 R213 | L151-T153 PolarHBondContact O-N 3.12Å; T153-S155 PolarHBondContact O-N 2.91Å; T153-S155 VanDerWaalsContact O-N 3.15Å; T153-L156 WeakPolarHBondContact O-CA 3.33Å; T153-L156 WeakPolarHBondContact O-CB 3.17Å; T153-L156 PolarHBondContact O-N 3.13Å; T153-L156 PolarHBondContact OG1-N 3.41Å; T153-V157 PolarHBondContact O-N 3.25Å; T153-R213 WeakPolarHBondContact CB-O 3.34Å; T153-R213 HydrophobicContact CG2-CB 4.48Å; T153-R213 PolarHBondContact OG1-O 3.29Å |
| 154 | A | 86.2 | Confident | 76.9 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.2 | -31.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S158 I212 A455 I458 Q459 | A154-S158 WeakPolarHBondContact O-CB 3.26Å; A154-S158 PolarHBondContact O-N 2.72Å; A154-I212 HydrophobicContact CB-CG2 4.03Å; A154-A455 HydrophobicContact CB-CB 4.27Å; A154-A455 VanDerWaalsContact CB-O 3.29Å; A154-A455 WeakPolarHBondContact CB-O 3.29Å; A154-I458 HydrophobicContact CB-CB 3.93Å; A154-I458 HydrophobicContact CB-CG2 3.71Å; A154-Q459 HydrophobicContact CB-CB 3.95Å |
| 155 | S | 82.4 | Confident | 75.4 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68 | -43.2 | 171.7 | -177 | 0 | 0 | 0 | 0 | 112.5 | T153 V157 S158 Q159 | T153-S155 PolarHBondContact O-N 2.91Å; T153-S155 VanDerWaalsContact O-N 3.15Å; S155-V157 VanDerWaalsContact C-N 3.33Å; S155-V157 PolarHBondContact O-N 3.35Å; S155-S158 PolarHBondContact O-N 3.17Å; S155-Q159 VanDerWaalsContact O-CB 3.29Å; S155-Q159 WeakPolarHBondContact O-CB 3.44Å; S155-Q159 VanDerWaalsContact O-CG 3.22Å; S155-Q159 WeakPolarHBondContact O-CG 3.33Å; S155-Q159 PolarHBondContact O-N 3.09Å; S155-Q159 PolarHBondContact OG-NE2 3.37Å |
| 156 | L | 82.5 | Confident | 74 | Confident | 67 Ų | 67 | 60.2 Ų | 60.2 | 35% | 0.351 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 174 | 177 | 55.8 | 0 | 0 | 0 | 111.6 | P152 T153 T160 A215 | P152-L156 HydrophobicContact CB-CD2 4.15Å; T153-L156 WeakPolarHBondContact O-CA 3.33Å; T153-L156 WeakPolarHBondContact O-CB 3.17Å; T153-L156 PolarHBondContact O-N 3.13Å; T153-L156 PolarHBondContact OG1-N 3.41Å; L156-T160 WeakPolarHBondContact O-CB 3.45Å; L156-T160 PolarHBondContact O-N 2.97Å; L156-T160 PolarHBondContact O-OG1 3.44Å; L156-A215 HydrophobicContact CB-CB 4.01Å; L156-A215 HydrophobicContact CD1-CB 3.9Å; L156-A215 HydrophobicContact CG-CB 4.37Å |
| 157 | V | 80.8 | Confident | 72.8 | Confident | 18 Ų | 18 | 57.8 Ų | 57.8 | 11% | 0.109 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 177 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | P152 T153 S155 T160 I161 I458 P510 | P152-V157 HydrophobicContact CB-CG2 4Å; T153-V157 PolarHBondContact O-N 3.25Å; S155-V157 VanDerWaalsContact C-N 3.33Å; S155-V157 PolarHBondContact O-N 3.35Å; V157-T160 PolarHBondContact O-N 3.01Å; V157-I161 HydrophobicContact CG1-CD1 3.82Å; V157-I161 PolarHBondContact O-N 2.96Å; V157-I458 HydrophobicContact CB-CD1 3.97Å; V157-I458 HydrophobicContact CG1-CD1 3.67Å; V157-P510 HydrophobicContact CG1-CG 3.97Å |
| 158 | S | 78.4 | Confident | 71.9 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61 | -49.4 | 176.7 | -179.5 | 0 | 0 | 0 | 0 | 112.9 | A154 S155 T160 F162 R439 D452 M454 | A154-S158 WeakPolarHBondContact O-CB 3.26Å; A154-S158 PolarHBondContact O-N 2.72Å; S155-S158 PolarHBondContact O-N 3.17Å; S158-T160 PolarHBondContact O-N 2.66Å; S158-F162 PolarHBondContact O-N 2.94Å; S158-R439 PolarHBondContact O-NH2 3.46Å; S158-D452 WeakPolarHBondContact CB-OD1 3.29Å; S158-D452 VanDerWaalsContact CB-OD2 3.23Å; S158-D452 WeakPolarHBondContact CB-OD2 3.26Å; S158-D452 VanDerWaalsContact OG-CG 3.24Å; S158-D452 PolarHBondContact OG-OD1 3.14Å; S158-D452 PolarHBondContact OG-OD2 2.94Å; S158-D452 VanDerWaalsContact OG-OD2 3.06Å; S158-M454 WeakPolarHBondContact OG-CB 3.36Å |
| 159 | Q | 73 | Confident | 71.3 | Confident | 86 Ų | 86 | 65.4 Ų | 65.4 | 40% | 0.402 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.5 | -31.8 | 178.5 | -73.6 | 173.3 | -0.7 | 0 | 0 | 112.7 | S155 R439 | S155-Q159 VanDerWaalsContact O-CB 3.29Å; S155-Q159 WeakPolarHBondContact O-CB 3.44Å; S155-Q159 VanDerWaalsContact O-CG 3.22Å; S155-Q159 WeakPolarHBondContact O-CG 3.33Å; S155-Q159 PolarHBondContact O-N 3.09Å; S155-Q159 PolarHBondContact OG-NE2 3.37Å; Q159-R439 PolarHBondContact O-NH2 2.85Å |
| 160 | T | 72.6 | Confident | 70.8 | Confident | 43 Ų | 43 | 64.8 Ų | 64.8 | 26% | 0.264 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -83.6 | -43.6 | -177.2 | -61.5 | 0 | 0 | 0 | 0 | 112.7 | L156 V157 S158 K499 | L156-T160 WeakPolarHBondContact O-CB 3.45Å; L156-T160 PolarHBondContact O-N 2.97Å; L156-T160 PolarHBondContact O-OG1 3.44Å; V157-T160 PolarHBondContact O-N 3.01Å; S158-T160 PolarHBondContact O-N 2.66Å; T160-K499 HydrophobicContact CG2-CB 3.56Å; T160-K499 HydrophobicContact CG2-CD 3.87Å; T160-K499 HydrophobicContact CG2-CG 3.96Å; T160-K499 WeakPolarHBondContact O-CD 3.25Å |
| 161 | I | 73.2 | Confident | 70.4 | Confident | 14 Ų | 14 | 62.7 Ų | 62.7 | 7% | 0.072 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -92.4 | -48.8 | -171.6 | -61 | 179.8 | 0 | 0 | 0 | 112.1 | V157 T163 I496 L500 P510 I511 | V157-I161 HydrophobicContact CG1-CD1 3.82Å; V157-I161 PolarHBondContact O-N 2.96Å; I161-T163 PolarHBondContact O-N 3.2Å; I161-I496 HydrophobicContact CG1-CG2 4.39Å; I161-I496 HydrophobicContact CG2-CD1 4.1Å; I161-I496 HydrophobicContact CG2-CG1 4.24Å; I161-I496 HydrophobicContact CG2-CG2 4.01Å; I161-L500 HydrophobicContact CD1-CD2 4.22Å; I161-P510 HydrophobicContact CB-CB 4.43Å; I161-P510 HydrophobicContact CD1-CB 3.64Å; I161-P510 HydrophobicContact CD1-CG 4.43Å; I161-P510 HydrophobicContact CG2-CB 4.02Å; I161-I511 HydrophobicContact CD1-CD1 4.41Å |
| 162 | F | 69.1 | Low | 69.9 | Low | 48 Ų | 48 | 64.8 Ų | 64.8 | 21% | 0.211 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -85.9 | 48.5 | -173.8 | -55.5 | -59.7 | 0 | 0 | 0 | 112.6 | S158 R439 M454 I458 P510 L513 | S158-F162 PolarHBondContact O-N 2.94Å; F162-R439 PolarHBondContact O-NE 3.5Å; F162-R439 PolarHBondContact O-NH2 3.4Å; F162-M454 HydrophobicContact CD2-CB 3.46Å; F162-M454 VanDerWaalsContact CD2-CB 3.46Å; F162-M454 HydrophobicContact CD2-CG 3.65Å; F162-M454 HydrophobicContact CD2-SD 4.4Å; F162-M454 HydrophobicContact CE2-CB 3.59Å; F162-M454 HydrophobicContact CE2-CG 3.87Å; F162-M454 HydrophobicContact CE2-SD 4.1Å; F162-M454 HydrophobicContact CG-CB 4.42Å; F162-M454 HydrophobicContact CG-CG 4.17Å; F162-M454 HydrophobicContact CZ-SD 4.27Å; F162-I458 HydrophobicContact CE2-CD1 3.98Å; F162-P510 HydrophobicContact CE1-CB 4.27Å; F162-P510 HydrophobicContact CE2-CB 4.24Å; F162-P510 HydrophobicContact CE2-CG 4.17Å; F162-P510 HydrophobicContact CZ-CB 3.69Å; F162-P510 HydrophobicContact CZ-CG 3.91Å; F162-L513 HydrophobicContact CE1-CB 4.47Å; F162-L513 HydrophobicContact CE1-CD1 3.58Å; F162-L513 HydrophobicContact CZ-CD1 3.82Å |
| 163 | T | 62.4 | Low | 69.5 | Low | 63 Ų | 63 | 62.9 Ų | 62.9 | 39% | 0.387 | 36% | 0.364 | S | S | . | . | trans | -67.6 | 148.1 | 178.7 | 40.6 | 0 | 0 | 0 | 0 | 111.8 | I161 S165 | I161-T163 PolarHBondContact O-N 3.2Å; T163-S165 PolarHBondContact O-N 3.38Å | ||
| 164 | D | 52.7 | Low | 69.3 | Low | 101 Ų | 101 | 61.9 Ų | 61.9 | 54% | 0.54 | 36% | 0.359 | S | S | . | . | trans | -61.2 | 101.4 | -174.8 | -54 | -60.3 | 0 | 0 | 0 | 111.2 | S436 | D164-S436 WeakPolarHBondContact OD1-CA 3.35Å; D164-S436 WeakPolarHBondContact OD1-CB 3.35Å | ||
| 165 | S | 51.7 | Low | 68.9 | Low | 97 Ų | 97 | 62.3 Ų | 62.3 | 68% | 0.678 | 36% | 0.361 | S | S | * | . | trans | -78.8 | 150.6 | 174.6 | 65.4 | 0 | 0 | 0 | 0 | 110.4 | T163 G167 | T163-S165 PolarHBondContact O-N 3.38Å; S165-G167 PolarHBondContact O-N 3.08Å | ||
| 166 | T | 48.3 | Very low | 68.9 | Low | 136 Ų | 136 | 63.9 Ų | 63.9 | 83% | 0.834 | 37% | 0.369 | S | S | * | . | trans | -71.5 | 81.2 | 172 | 50.8 | 0 | 0 | 0 | 0 | 109.1 | T168 | T166-T168 PolarHBondContact O-N 2.88Š| ||
| 167 | G | 52.1 | Low | 69.1 | Low | 39 Ų | 39 | 60.9 Ų | 60.9 | 40% | 0.402 | 35% | 0.353 | S | S | . | . | trans | -46.7 | 98 | -162.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | S165 K169 | S165-G167 PolarHBondContact O-N 3.08Å; G167-K169 PolarHBondContact O-N 2.87Å | ||
| 168 | T | 56.6 | Low | 69.1 | Low | 128 Ų | 128 | 60 Ų | 60 | 79% | 0.785 | 35% | 0.348 | S | S | * | . | trans | -72.5 | 114.9 | 173.1 | 37.9 | 0 | 0 | 0 | 0 | 109.3 | T166 H170 | T166-T168 PolarHBondContact O-N 2.88Å; T168-H170 PolarHBondContact O-N 3.34Å | ||
| 169 | K | 63.2 | Low | 69.4 | Low | 154 Ų | 154 | 60.2 Ų | 60.2 | 67% | 0.67 | 35% | 0.349 | S | S | * | . | trans | -63.2 | 132.6 | 172.6 | -63.3 | -174.2 | 177.5 | -172.9 | 0 | 109.1 | G167 | G167-K169 PolarHBondContact O-N 2.87Š| ||
| 170 | H | 69.1 | Low | 70.2 | Confident | 94 Ų | 94 | 56.1 Ų | 56.1 | 44% | 0.435 | 33% | 0.33 | S | S | . | . | trans | -61.5 | 130.3 | 171.9 | -169.1 | -90.4 | 0 | 0 | 0 | 109 | T168 T172 A173 F522 | T168-H170 PolarHBondContact O-N 3.34Å; H170-T172 PolarHBondContact CE1-OG1 2.81Å; H170-T172 VanDerWaalsContact CE1-OG1 3.26Å; H170-T172 PolarHBondContact ND1-OG1 3.01Å; H170-T172 PolarHBondContact O-N 3.03Å; H170-T172 VanDerWaalsContact O-N 3.17Å; H170-A173 HydrophobicContact CB-CB 3.99Å; H170-A173 VanDerWaalsContact ND1-CB 3.31Å; H170-A173 WeakPolarHBondContact ND1-CB 3.44Å; H170-A173 PolarHBondContact ND1-N 3.24Å; H170-F522 AromaticContact CE1-CE1 3.92Å; H170-F522 AromaticContact CE1-CZ 3.63Å; H170-F522 AromaticContact ND1-CZ 3.96Å; H170-F522 AromaticContact NE2-CE1 3.95Å; H170-F522 AromaticContact NE2-CZ 3.98Å | ||
| 171 | P | 67.9 | Low | 71.1 | Confident | 111 Ų | 111 | 54.2 Ų | 54.2 | 72% | 0.721 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -22.4 | -166.7 | 25.4 | -35.6 | 0 | 0 | 0 | 114 | ||
| 172 | T | 74.9 | Confident | 71.7 | Confident | 59 Ų | 59 | 53.6 Ų | 53.6 | 36% | 0.362 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.8 | 5.2 | -171 | 55 | 0 | 0 | 0 | 0 | 115 | H170 M589 T590 | H170-T172 PolarHBondContact CE1-OG1 2.81Å; H170-T172 VanDerWaalsContact CE1-OG1 3.26Å; H170-T172 PolarHBondContact ND1-OG1 3.01Å; H170-T172 PolarHBondContact O-N 3.03Å; H170-T172 VanDerWaalsContact O-N 3.17Å; T172-M589 CarbonylContact O-C 3.54Å; T172-M589 WeakPolarHBondContact O-CA 3.37Å; T172-M589 WeakPolarHBondContact O-CB 3.41Å; T172-T590 VanDerWaalsContact C-OG1 3.31Å; T172-T590 VanDerWaalsContact CA-OG1 3.29Å; T172-T590 WeakPolarHBondContact CA-OG1 3.02Å; T172-T590 PolarHBondContact O-N 3.11Å; T172-T590 PolarHBondContact O-OG1 3.4Å |
| 173 | A | 76.4 | Confident | 72.7 | Confident | 19 Ų | 19 | 51.3 Ų | 51.3 | 16% | 0.157 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -110.5 | 136.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | H170 F522 | H170-A173 HydrophobicContact CB-CB 3.99Å; H170-A173 VanDerWaalsContact ND1-CB 3.31Å; H170-A173 WeakPolarHBondContact ND1-CB 3.44Å; H170-A173 PolarHBondContact ND1-N 3.24Å; A173-F522 HydrophobicContact CB-CE1 3.81Å; A173-F522 HydrophobicContact CB-CZ 3.77Å |
| 174 | S | 82.3 | Confident | 74 | Confident | 19 Ų | 19 | 48.3 Ų | 48.3 | 13% | 0.133 | 29% | 0.287 | C | S | . | . | trans | -87.7 | 154.9 | 170.2 | 77.6 | 0 | 0 | 0 | 0 | 110.8 | L176 L177 A587 F588 | S174-L176 PolarHBondContact O-N 2.8Å; S174-L176 VanDerWaalsContact O-N 3.13Å; S174-L176 WeakPolarHBondContact OG-CB 3.47Å; S174-L176 PolarHBondContact OG-N 3.47Å; S174-L177 WeakPolarHBondContact O-CB 3.43Å; S174-L177 PolarHBondContact O-N 3.12Å; S174-L177 VanDerWaalsContact O-N 3.14Å; S174-A587 PolarHBondContact OG-O 2.65Å; S174-F588 PolarHBondContact N-O 2.94Å; S174-F588 VanDerWaalsContact OG-C 3.28Å; S174-F588 WeakPolarHBondContact OG-CA 3.27Å; S174-F588 PolarHBondContact OG-O 2.71Å | ||
| 175 | L | 76.9 | Confident | 75.9 | Confident | 9 Ų | 9 | 44 Ų | 44 | 5% | 0.047 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -16.9 | 174.3 | -169.1 | 69.2 | 0 | 0 | 0 | 112.2 | L177 A178 Q179 M397 V431 I432 I434 | L175-L177 PolarHBondContact O-N 3.14Å; L175-L177 VanDerWaalsContact O-N 3.15Å; L175-A178 HydrophobicContact CD1-CB 3.83Å; L175-A178 HydrophobicContact CG-CB 4.43Å; L175-A178 WeakPolarHBondContact O-CA 3.29Å; L175-A178 WeakPolarHBondContact O-CB 3.41Å; L175-A178 PolarHBondContact O-N 3.37Å; L175-Q179 HydrophobicContact CD2-CG 4.49Å; L175-Q179 HydrophobicContact CG-CG 4.25Å; L175-Q179 PolarHBondContact O-N 2.66Å; L175-M397 HydrophobicContact CD1-CG 4.44Å; L175-V431 HydrophobicContact CD2-CG1 4.12Å; L175-I432 HydrophobicContact CB-CB 4.2Å; L175-I432 HydrophobicContact CB-CD1 4.15Å; L175-I432 HydrophobicContact CB-CG1 3.7Å; L175-I432 HydrophobicContact CB-CG2 4.06Å; L175-I434 HydrophobicContact CD1-CD1 3.48Å; L175-I434 VanDerWaalsContact CD1-CD1 3.48Å; L175-I434 HydrophobicContact CD2-CD1 3.57Å; L175-I434 HydrophobicContact CG-CD1 4.17Å |
| 176 | L | 83.3 | Confident | 77.6 | Confident | 37 Ų | 37 | 39.5 Ų | 39.5 | 19% | 0.194 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.8 | -27.8 | 174.9 | -165.3 | 66.3 | 0 | 0 | 0 | 111.4 | S174 W180 L569 L573 A587 F588 | S174-L176 PolarHBondContact O-N 2.8Å; S174-L176 VanDerWaalsContact O-N 3.13Å; S174-L176 WeakPolarHBondContact OG-CB 3.47Å; S174-L176 PolarHBondContact OG-N 3.47Å; L176-W180 WeakPolarHBondContact O-CB 3.21Å; L176-W180 PolarHBondContact O-N 3.36Å; L176-L569 HydrophobicContact CD2-CD2 3.54Å; L176-L569 HydrophobicContact CD2-CG 4.07Å; L176-L569 HydrophobicContact CG-CD2 3.93Å; L176-L573 HydrophobicContact CD2-CD1 3.82Å; L176-A587 HydrophobicContact CD2-CB 3.61Å; L176-F588 HydrophobicContact CB-CD1 4.27Å; L176-F588 HydrophobicContact CD2-CD1 4.42Å; L176-F588 HydrophobicContact CD2-CE1 4.49Å; L176-F588 HydrophobicContact CG-CD1 4.16Å; L176-F588 HydrophobicContact CG-CE1 4.16Å |
| 177 | L | 85.8 | Confident | 79.6 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.9 | -45.8 | 169.8 | -172 | 74.1 | 0 | 0 | 0 | 111.6 | S174 L175 A181 F347 M350 I351 L396 F522 F588 | S174-L177 WeakPolarHBondContact O-CB 3.43Å; S174-L177 PolarHBondContact O-N 3.12Å; S174-L177 VanDerWaalsContact O-N 3.14Å; L175-L177 PolarHBondContact O-N 3.14Å; L175-L177 VanDerWaalsContact O-N 3.15Å; L177-A181 VanDerWaalsContact O-CB 3.24Å; L177-A181 WeakPolarHBondContact O-CB 3.33Å; L177-A181 PolarHBondContact O-N 3.01Å; L177-F347 HydrophobicContact CD1-CD2 3.72Å; L177-F347 HydrophobicContact CD1-CE2 3.89Å; L177-F347 HydrophobicContact CG-CE2 4.4Å; L177-F347 WeakPolarHBondContact O-CE2 3.45Å; L177-M350 HydrophobicContact CD1-CB 4.42Å; L177-M350 HydrophobicContact CD1-CE 4.32Å; L177-M350 HydrophobicContact CD1-SD 4.33Å; L177-M350 HydrophobicContact CD2-CE 4.45Å; L177-I351 HydrophobicContact CD1-CD1 3.9Å; L177-I351 HydrophobicContact CD2-CD1 4.19Å; L177-I351 HydrophobicContact CG-CD1 4.13Å; L177-L396 HydrophobicContact CD2-CD1 4.09Å; L177-L396 HydrophobicContact CG-CD1 4.45Å; L177-F522 HydrophobicContact CD2-CD1 3.65Å; L177-F522 HydrophobicContact CD2-CD2 4.19Å; L177-F522 HydrophobicContact CD2-CE1 3.45Å; L177-F522 VanDerWaalsContact CD2-CE1 3.45Å; L177-F522 HydrophobicContact CD2-CE2 4.02Å; L177-F522 HydrophobicContact CD2-CG 4.02Å; L177-F522 HydrophobicContact CD2-CZ 3.65Å; L177-F588 HydrophobicContact CB-CB 4.23Å; L177-F588 HydrophobicContact CB-CD1 4.35Å; L177-F588 HydrophobicContact CD1-CB 3.89Å; L177-F588 HydrophobicContact CD1-CD1 4.38Å; L177-F588 HydrophobicContact CD1-CD2 4.47Å; L177-F588 HydrophobicContact CD1-CG 4Å |
| 178 | A | 81.2 | Confident | 81.5 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -72.8 | -37.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L175 A181 Q182 L396 M397 | L175-A178 HydrophobicContact CD1-CB 3.83Å; L175-A178 HydrophobicContact CG-CB 4.43Å; L175-A178 WeakPolarHBondContact O-CA 3.29Å; L175-A178 WeakPolarHBondContact O-CB 3.41Å; L175-A178 PolarHBondContact O-N 3.37Å; A178-A181 PolarHBondContact O-N 2.83Å; A178-Q182 PolarHBondContact O-N 3.27Å; A178-L396 HydrophobicContact CB-CB 3.81Å; A178-M397 HydrophobicContact CB-CG 4.34Å |
| 179 | Q | 84.4 | Confident | 83.2 | Confident | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.019 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -70.1 | -38.7 | 176 | -56.7 | -53.6 | -67 | 0 | 0 | 111.5 | L175 Q182 F183 T296 Q297 L300 | L175-Q179 HydrophobicContact CD2-CG 4.49Å; L175-Q179 HydrophobicContact CG-CG 4.25Å; L175-Q179 PolarHBondContact O-N 2.66Å; Q179-Q182 PolarHBondContact O-N 2.85Å; Q179-F183 WeakPolarHBondContact O-CB 3.44Å; Q179-F183 PolarHBondContact O-N 3.01Å; Q179-T296 VanDerWaalsContact CD-OG1 3.27Å; Q179-T296 HydrophobicContact CG-CG2 4.2Å; Q179-T296 PolarHBondContact OE1-OG1 2.84Å; Q179-Q297 PolarHBondContact O-OE1 3.3Å; Q179-L300 HydrophobicContact CB-CD2 4.35Å |
| 180 | W | 90.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.4 | -39.7 | 173.1 | -170.1 | -87.8 | 0 | 0 | 0 | 111.8 | L176 Q182 F183 V184 L300 W304 I339 I342 T343 F347 L569 F588 | L176-W180 WeakPolarHBondContact O-CB 3.21Å; L176-W180 PolarHBondContact O-N 3.36Å; W180-Q182 VanDerWaalsContact C-N 3.31Å; W180-Q182 PolarHBondContact O-N 3.23Å; W180-F183 PolarHBondContact O-N 2.87Å; W180-V184 HydrophobicContact CG-CG2 4.35Å; W180-V184 VanDerWaalsContact NE1-CG2 3.29Å; W180-V184 WeakPolarHBondContact O-CB 3.1Å; W180-V184 VanDerWaalsContact O-CG2 3.29Å; W180-V184 WeakPolarHBondContact O-CG2 3.22Å; W180-V184 PolarHBondContact O-N 3.37Å; W180-L300 HydrophobicContact CE3-CD2 4.48Å; W180-W304 AromaticContact CH2-CZ2 3.55Å; W180-W304 HydrophobicContact CH2-CZ2 3.55Å; W180-W304 AromaticContact CH2-NE1 3.99Å; W180-W304 AromaticContact CZ3-CE2 3.86Å; W180-W304 AromaticContact CZ3-CZ2 3.69Å; W180-W304 HydrophobicContact CZ3-CZ2 3.69Å; W180-W304 AromaticContact CZ3-NE1 3.46Å; W180-I339 HydrophobicContact CH2-CB 4.46Å; W180-I339 HydrophobicContact CH2-CG1 4.18Å; W180-I339 HydrophobicContact CH2-CG2 4.32Å; W180-I339 HydrophobicContact CZ2-CG2 4.07Å; W180-I342 HydrophobicContact CD2-CG2 4.46Å; W180-I342 HydrophobicContact CH2-CB 4.1Å; W180-I342 HydrophobicContact CH2-CD1 4.19Å; W180-I342 HydrophobicContact CH2-CG2 3.74Å; W180-I342 HydrophobicContact CZ2-CB 3.88Å; W180-I342 HydrophobicContact CZ2-CG2 3.48Å; W180-I342 VanDerWaalsContact CZ2-CG2 3.48Å; W180-I342 HydrophobicContact CZ3-CG2 4.31Å; W180-T343 WeakPolarHBondContact CZ2-OG1 3.35Å; W180-T343 PolarHBondContact NE1-OG1 3.24Å; W180-T343 VanDerWaalsContact NE1-OG1 3.14Å; W180-F347 HydrophobicContact CB-CD2 4.46Å; W180-F347 AromaticContact CD1-CD2 3.5Å; W180-F347 VanDerWaalsContact CD1-CD2 3.5Å; W180-F347 AromaticContact CD1-CE2 3.99Å; W180-F347 AromaticContact CD1-CG 3.53Å; W180-F347 HydrophobicContact CG-CD2 4.28Å; W180-L569 HydrophobicContact CD2-CD2 4.23Å; W180-L569 HydrophobicContact CE3-CD1 4.08Å; W180-L569 HydrophobicContact CE3-CD2 3.59Å; W180-L569 HydrophobicContact CE3-CG 4.5Å; W180-L569 HydrophobicContact CH2-CD1 4.45Å; W180-L569 HydrophobicContact CZ3-CD1 3.61Å; W180-L569 HydrophobicContact CZ3-CD2 3.94Å; W180-L569 HydrophobicContact CZ3-CG 4.4Å; W180-F588 HydrophobicContact CB-CD1 4.42Å; W180-F588 HydrophobicContact CB-CE1 3.44Å; W180-F588 VanDerWaalsContact CB-CE1 3.44Å; W180-F588 HydrophobicContact CB-CZ 3.88Å; W180-F588 AromaticContact CD1-CZ 3.77Å; W180-F588 HydrophobicContact CD2-CE1 4.08Å; W180-F588 AromaticContact CD2-CZ 3.76Å; W180-F588 HydrophobicContact CD2-CZ 3.76Å; W180-F588 HydrophobicContact CE3-CE1 4.47Å; W180-F588 HydrophobicContact CE3-CZ 4.34Å; W180-F588 AromaticContact CG-CE1 3.61Å; W180-F588 HydrophobicContact CG-CE1 3.61Å; W180-F588 AromaticContact CG-CZ 3.5Å; W180-F588 HydrophobicContact CG-CZ 3.5Å |
| 181 | A | 90.3 | Very high | 85.3 | Confident | 2 Ų | 2 | 15.5 Ų | 15.5 | 2% | 0.017 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.4 | -40.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L177 A178 Y185 F347 F392 F393 | L177-A181 VanDerWaalsContact O-CB 3.24Å; L177-A181 WeakPolarHBondContact O-CB 3.33Å; L177-A181 PolarHBondContact O-N 3.01Å; A178-A181 PolarHBondContact O-N 2.83Å; A181-Y185 VanDerWaalsContact O-CB 3.24Å; A181-Y185 WeakPolarHBondContact O-CB 3.47Å; A181-Y185 PolarHBondContact O-N 2.88Å; A181-F347 HydrophobicContact CB-CE2 3.75Å; A181-F347 HydrophobicContact CB-CZ 3.53Å; A181-F392 HydrophobicContact CB-CE1 4.2Å; A181-F392 HydrophobicContact CB-CZ 3.94Å; A181-F393 HydrophobicContact CB-CB 3.44Å; A181-F393 VanDerWaalsContact CB-CB 3.44Å; A181-F393 HydrophobicContact CB-CD1 4.3Å; A181-F393 HydrophobicContact CB-CG 4.11Å |
| 182 | Q | 87.3 | Confident | 85.9 | Confident | 1 Ų | 1 | 10.3 Ų | 10.3 | 1% | 0.005 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -63.4 | -49.7 | 170.9 | -172.5 | -172.3 | -36.6 | 0 | 0 | 111.4 | A178 Q179 W180 V184 Y185 D186 F393 | A178-Q182 PolarHBondContact O-N 3.27Å; Q179-Q182 PolarHBondContact O-N 2.85Å; W180-Q182 VanDerWaalsContact C-N 3.31Å; W180-Q182 PolarHBondContact O-N 3.23Å; Q182-V184 VanDerWaalsContact C-N 3.34Å; Q182-V184 PolarHBondContact O-N 3.42Å; Q182-Y185 PolarHBondContact O-N 3.33Å; Q182-Y185 VanDerWaalsContact O-N 3.15Å; Q182-D186 WeakPolarHBondContact CG-OD2 3.45Å; Q182-D186 PolarHBondContact NE2-OD2 3.26Å; Q182-D186 WeakPolarHBondContact O-CB 3.16Å; Q182-D186 PolarHBondContact O-N 2.83Å; Q182-F393 HydrophobicContact CB-CD2 3.74Å; Q182-F393 HydrophobicContact CB-CE1 4.47Å; Q182-F393 HydrophobicContact CB-CE2 3.51Å; Q182-F393 HydrophobicContact CB-CG 4.33Å; Q182-F393 HydrophobicContact CB-CZ 3.91Å; Q182-F393 HydrophobicContact CG-CD2 4.29Å; Q182-F393 HydrophobicContact CG-CE2 3.54Å; Q182-F393 HydrophobicContact CG-CZ 3.74Å |
| 183 | F | 88.9 | Confident | 86 | Confident | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -55.8 | -46.2 | 179.5 | -179.1 | -83.2 | 0 | 0 | 0 | 112.3 | Q179 W180 D187 I256 Q297 L300 Y301 W304 I339 | Q179-F183 WeakPolarHBondContact O-CB 3.44Å; Q179-F183 PolarHBondContact O-N 3.01Å; W180-F183 PolarHBondContact O-N 2.87Å; F183-D187 WeakPolarHBondContact O-CB 3.27Å; F183-D187 PolarHBondContact O-N 3.25Å; F183-I256 HydrophobicContact CZ-CD1 4.42Å; F183-Q297 VanDerWaalsContact CA-NE2 3.34Å; F183-L300 HydrophobicContact CB-CD2 3.81Å; F183-L300 HydrophobicContact CD2-CD2 3.8Å; F183-L300 HydrophobicContact CD2-CG 3.89Å; F183-L300 HydrophobicContact CE2-CG 4.3Å; F183-L300 HydrophobicContact CG-CD2 4Å; F183-Y301 AromaticContact CD2-CD1 3.84Å; F183-Y301 HydrophobicContact CD2-CD1 3.84Å; F183-Y301 AromaticContact CD2-CE1 3.36Å; F183-Y301 HydrophobicContact CD2-CE1 3.36Å; F183-Y301 AromaticContact CD2-CZ 3.96Å; F183-Y301 AromaticContact CE2-CD1 3.49Å; F183-Y301 HydrophobicContact CE2-CD1 3.49Å; F183-Y301 VanDerWaalsContact CE2-CD1 3.49Å; F183-Y301 AromaticContact CE2-CE1 3.32Å; F183-Y301 HydrophobicContact CE2-CE1 3.32Å; F183-Y301 HydrophobicContact CG-CE1 4.4Å; F183-Y301 HydrophobicContact CZ-CE1 4.33Å; F183-W304 AromaticContact CE2-CD1 3.54Å; F183-W304 HydrophobicContact CE2-CG 4.3Å; F183-W304 AromaticContact CZ-CD1 3.52Å; F183-W304 HydrophobicContact CZ-CG 4.07Å; F183-W304 AromaticContact CZ-NE1 3.81Å; F183-I339 HydrophobicContact CE1-CD1 3.94Å; F183-I339 HydrophobicContact CE1-CG1 4.26Å; F183-I339 HydrophobicContact CE1-CG2 4.04Å; F183-I339 HydrophobicContact CZ-CD1 3.94Å |
| 184 | V | 91.1 | Very high | 85.4 | Confident | 1 Ų | 1 | 7.4 Ų | 7.4 | 1% | 0.006 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -66.8 | -38.8 | 176 | 168.2 | 0 | 0 | 0 | 0 | 111.9 | W180 Q182 L188 L251 T343 F535 | W180-V184 HydrophobicContact CG-CG2 4.35Å; W180-V184 VanDerWaalsContact NE1-CG2 3.29Å; W180-V184 WeakPolarHBondContact O-CB 3.1Å; W180-V184 VanDerWaalsContact O-CG2 3.29Å; W180-V184 WeakPolarHBondContact O-CG2 3.22Å; W180-V184 PolarHBondContact O-N 3.37Å; Q182-V184 VanDerWaalsContact C-N 3.34Å; Q182-V184 PolarHBondContact O-N 3.42Å; V184-L188 HydrophobicContact CG1-CD1 4.4Å; V184-L188 WeakPolarHBondContact O-CG 3.37Å; V184-L188 PolarHBondContact O-N 2.88Å; V184-L251 HydrophobicContact CG1-CD2 3.97Å; V184-T343 HydrophobicContact CG1-CG2 4.23Å; V184-T343 HydrophobicContact CG2-CG2 3.96Å; V184-F535 HydrophobicContact CG1-CE1 3.84Å; V184-F535 HydrophobicContact CG1-CZ 3.57Å |
| 185 | Y | 91.7 | Very high | 84.3 | Confident | 10 Ų | 10 | 7.9 Ų | 7.9 | 4% | 0.039 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -66.8 | -47.3 | 174.8 | 173.2 | -86.5 | 0 | 0 | 0 | 111.7 | A181 Q182 D187 L188 V189 Y385 A386 G390 L391 F393 | A181-Y185 VanDerWaalsContact O-CB 3.24Å; A181-Y185 WeakPolarHBondContact O-CB 3.47Å; A181-Y185 PolarHBondContact O-N 2.88Å; Q182-Y185 PolarHBondContact O-N 3.33Å; Q182-Y185 VanDerWaalsContact O-N 3.15Å; Y185-D187 VanDerWaalsContact C-N 3.33Å; Y185-D187 PolarHBondContact O-N 3.46Å; Y185-L188 CarbonylContact O-C 3.59Å; Y185-L188 PolarHBondContact O-N 3.13Å; Y185-V189 HydrophobicContact CD1-CB 4.4Å; Y185-V189 HydrophobicContact CD2-CB 4.32Å; Y185-V189 HydrophobicContact CD2-CG2 4.22Å; Y185-V189 HydrophobicContact CE1-CB 4.01Å; Y185-V189 HydrophobicContact CE1-CG1 4.12Å; Y185-V189 HydrophobicContact CE2-CB 3.96Å; Y185-V189 HydrophobicContact CE2-CG1 4.03Å; Y185-V189 HydrophobicContact CE2-CG2 4Å; Y185-V189 WeakPolarHBondContact O-CA 3.26Å; Y185-V189 WeakPolarHBondContact O-CB 3.43Å; Y185-V189 PolarHBondContact O-N 2.98Å; Y185-V189 WeakPolarHBondContact OH-CG1 3.43Å; Y185-Y385 AromaticContact CD2-CE1 3.99Å; Y185-Y385 HydrophobicContact CD2-CE1 3.99Å; Y185-A386 PolarHBondContact OH-O 3.44Å; Y185-G390 WeakPolarHBondContact CD2-O 3.24Å; Y185-L391 HydrophobicContact CE1-CD2 4.03Å; Y185-L391 HydrophobicContact CE2-CD2 3.83Å; Y185-L391 HydrophobicContact CE2-CG 4.12Å; Y185-L391 VanDerWaalsContact CZ-CD2 3.49Å; Y185-L391 WeakPolarHBondContact OH-CD2 3.15Å; Y185-F393 AromaticContact CD1-CE1 3.91Å; Y185-F393 HydrophobicContact CD1-CE1 3.91Å; Y185-F393 HydrophobicContact CD1-CZ 4.13Å; Y185-F393 HydrophobicContact CD2-CE1 4.21Å; Y185-F393 AromaticContact CG-CE1 3.65Å; Y185-F393 HydrophobicContact CG-CE1 3.65Å; Y185-F393 HydrophobicContact CG-CZ 4.32Å |
| 186 | D | 88.3 | Confident | 83.3 | Confident | 2 Ų | 2 | 9.4 Ų | 9.4 | 1% | 0.011 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -59.8 | -42.3 | 177.7 | -84.1 | -41.9 | 0 | 0 | 0 | 110.5 | Q182 L188 V189 M255 N290 Q297 | Q182-D186 WeakPolarHBondContact CG-OD2 3.45Å; Q182-D186 PolarHBondContact NE2-OD2 3.26Å; Q182-D186 WeakPolarHBondContact O-CB 3.16Å; Q182-D186 PolarHBondContact O-N 2.83Å; D186-L188 VanDerWaalsContact C-N 3.26Å; D186-L188 PolarHBondContact O-N 2.74Å; D186-V189 PolarHBondContact O-N 3.21Å; D186-M255 HydrophobicContact CB-CE 4.1Å; D186-M255 HydrophobicContact CB-CG 3.87Å; D186-M255 HydrophobicContact CB-SD 4.2Å; D186-M255 WeakPolarHBondContact O-CE 3.4Å; D186-N290 PolarHBondContact OD1-ND2 2.91Å; D186-Q297 PolarHBondContact OD2-NE2 3.44Å |
| 187 | D | 90.5 | Very high | 82.1 | Confident | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -61.2 | -33.8 | 178.3 | -145 | 51.1 | 0 | 0 | 0 | 112.8 | F183 Y185 D252 A253 S254 M255 | F183-D187 WeakPolarHBondContact O-CB 3.27Å; F183-D187 PolarHBondContact O-N 3.25Å; Y185-D187 VanDerWaalsContact C-N 3.33Å; Y185-D187 PolarHBondContact O-N 3.46Å; D187-D252 PolarHBondContact OD2-N 2.86Å; D187-A253 WeakPolarHBondContact OD1-CA 3.36Å; D187-A253 PolarHBondContact OD1-N 3.13Å; D187-A253 WeakPolarHBondContact OD2-CA 3.08Å; D187-A253 PolarHBondContact OD2-N 3.17Å; D187-S254 WeakPolarHBondContact OD1-CA 3.27Å; D187-S254 PolarHBondContact OD1-N 2.97Å; D187-M255 PolarHBondContact OD1-N 3.4Å |
| 188 | L | 91.4 | Very high | 81 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -92 | -24.2 | 179.1 | -68.4 | 177.2 | 0 | 0 | 0 | 114.5 | V184 Y185 D186 N245 T248 L251 V381 Y385 F535 | V184-L188 HydrophobicContact CG1-CD1 4.4Å; V184-L188 WeakPolarHBondContact O-CG 3.37Å; V184-L188 PolarHBondContact O-N 2.88Å; Y185-L188 CarbonylContact O-C 3.59Å; Y185-L188 PolarHBondContact O-N 3.13Å; D186-L188 VanDerWaalsContact C-N 3.26Å; D186-L188 PolarHBondContact O-N 2.74Å; L188-N245 PolarHBondContact O-ND2 3.22Å; L188-T248 CarbonylContact C-O 3.58Å; L188-T248 VanDerWaalsContact O-O 3.05Å; L188-L251 HydrophobicContact CD1-CD2 3.95Å; L188-L251 HydrophobicContact CD2-CD2 3.84Å; L188-L251 HydrophobicContact CD2-CG 4.42Å; L188-L251 HydrophobicContact CG-CD2 3.71Å; L188-V381 HydrophobicContact CB-CG2 4.04Å; L188-V381 HydrophobicContact CD2-CG2 4.3Å; L188-Y385 HydrophobicContact CD1-CE1 4.16Å; L188-F535 HydrophobicContact CD1-CE1 3.79Å; L188-F535 HydrophobicContact CD1-CZ 3.92Å |
| 189 | V | 91 | Very high | 80.6 | Confident | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.006 | 7% | 0.067 | C | C | . | . | trans | -140.9 | 118.7 | -164.3 | -175.5 | 0 | 0 | 0 | 0 | 112.4 | F127 Y185 D186 I191 V381 Y385 A386 | F127-V189 HydrophobicContact CE1-CG1 4.16Å; F127-V189 HydrophobicContact CZ-CG1 4.07Å; Y185-V189 HydrophobicContact CD1-CB 4.4Å; Y185-V189 HydrophobicContact CD2-CB 4.32Å; Y185-V189 HydrophobicContact CD2-CG2 4.22Å; Y185-V189 HydrophobicContact CE1-CB 4.01Å; Y185-V189 HydrophobicContact CE1-CG1 4.12Å; Y185-V189 HydrophobicContact CE2-CB 3.96Å; Y185-V189 HydrophobicContact CE2-CG1 4.03Å; Y185-V189 HydrophobicContact CE2-CG2 4Å; Y185-V189 WeakPolarHBondContact O-CA 3.26Å; Y185-V189 WeakPolarHBondContact O-CB 3.43Å; Y185-V189 PolarHBondContact O-N 2.98Å; Y185-V189 WeakPolarHBondContact OH-CG1 3.43Å; D186-V189 PolarHBondContact O-N 3.21Å; V189-I191 HydrophobicContact CG1-CD1 4.11Å; V189-I191 HydrophobicContact CG1-CG1 3.93Å; V189-V381 HydrophobicContact CG2-CG1 3.88Å; V189-Y385 HydrophobicContact CG2-CD1 4.1Å; V189-Y385 HydrophobicContact CG2-CE1 3.99Å; V189-A386 HydrophobicContact CG1-CB 3.74Å; V189-A386 HydrophobicContact CG2-CB 3.96Å | ||
| 190 | K | 88.9 | Confident | 80 | Confident | 34 Ų | 34 | 15.2 Ų | 15.2 | 15% | 0.148 | 8% | 0.081 | C | C | . | . | trans | -133.1 | 93.3 | 164.8 | -173.7 | 175.5 | -178.3 | 168.2 | 0 | 112 | N245 Q246 A247 S289 | K190-N245 PolarHBondContact N-OD1 3.43Å; K190-Q246 HydrophobicContact CB-CB 3.98Å; K190-Q246 HydrophobicContact CD-CB 4.2Å; K190-Q246 HydrophobicContact CG-CB 4.05Å; K190-Q246 VanDerWaalsContact O-CB 3.24Å; K190-Q246 WeakPolarHBondContact O-CB 3.47Å; K190-Q246 WeakPolarHBondContact O-CG 3.3Å; K190-Q246 PolarHBondContact O-N 3.09Å; K190-A247 HydrophobicContact CB-CB 4.02Å; K190-S289 WeakPolarHBondContact CE-OG 3Å; K190-S289 PolarHBondContact NZ-OG 3.45Å | ||
| 191 | I | 88.1 | Confident | 79 | Confident | 13 Ų | 13 | 17.6 Ų | 17.6 | 7% | 0.067 | 9% | 0.094 | C | C | . | . | trans | -78.4 | 136.9 | 172.2 | -59.8 | 165.3 | 0 | 0 | 0 | 109.2 | F127 V189 T228 A386 M460 | F127-I191 HydrophobicContact CE2-CG1 3.93Å; F127-I191 HydrophobicContact CZ-CD1 4.46Å; F127-I191 HydrophobicContact CZ-CG1 3.75Å; V189-I191 HydrophobicContact CG1-CD1 4.11Å; V189-I191 HydrophobicContact CG1-CG1 3.93Å; I191-T228 HydrophobicContact CG2-CG2 3.42Å; I191-T228 VanDerWaalsContact CG2-CG2 3.42Å; I191-A386 HydrophobicContact CD1-CB 4.31Å; I191-M460 HydrophobicContact CB-SD 4.33Å; I191-M460 HydrophobicContact CD1-CE 3.65Å; I191-M460 HydrophobicContact CD1-CG 4.48Å; I191-M460 HydrophobicContact CD1-SD 3.67Å; I191-M460 HydrophobicContact CG2-SD 3.88Å | ||
| 192 | G | 80.6 | Confident | 77.5 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | trans | -148.1 | 175.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S43 T228 L229 | S43-G192 VanDerWaalsContact OG-C 3.27Å; S43-G192 WeakPolarHBondContact OG-CA 3.4Å; G192-T228 CarbonylContact O-C 3.5Å; G192-T228 WeakPolarHBondContact O-CA 3.45Å; G192-L229 PolarHBondContact O-N 3.35Å | ||
| 193 | T | 77.3 | Confident | 76.1 | Confident | 4 Ų | 4 | 29.9 Ų | 29.9 | 3% | 0.025 | 16% | 0.157 | C | C | . | . | B | Isolated β-bridge | trans | -117.3 | 151.1 | -173 | 63.6 | 0 | 0 | 0 | 0 | 113.3 | W37 F41 S43 T195 S226 | W37-T193 HydrophobicContact CH2-CG2 4.25Å; F41-T193 HydrophobicContact CB-CG2 4.2Å; F41-T193 PolarHBondContact O-N 3.39Å; F41-T193 VanDerWaalsContact O-N 3.12Å; S43-T193 WeakPolarHBondContact CB-O 3.41Å; S43-T193 PolarHBondContact OG-N 3.08Å; S43-T193 VanDerWaalsContact OG-N 3.14Å; S43-T193 PolarHBondContact OG-O 2.75Å; T193-T195 VanDerWaalsContact C-N 3.31Å; T193-T195 PolarHBondContact O-N 3.1Å; T193-S226 WeakPolarHBondContact CB-OG 3.29Å; T193-S226 WeakPolarHBondContact CG2-O 3.39Å |
| 194 | S | 63.3 | Low | 74.5 | Confident | 13 Ų | 13 | 34.1 Ų | 34.1 | 9% | 0.091 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -59.9 | -42.6 | 179.6 | 64.1 | 0 | 0 | 0 | 0 | 112 | K48 | K48-S194 WeakPolarHBondContact CD-O 3.48Å; K48-S194 WeakPolarHBondContact CE-O 3.4Å; K48-S194 PolarHBondContact NZ-O 3.42Å |
| 195 | T | 59.8 | Low | 73 | Confident | 30 Ų | 30 | 39.2 Ų | 39.2 | 18% | 0.184 | 20% | 0.2 | C | C | . | . | trans | -153.3 | 150.4 | -172.7 | 42.3 | 0 | 0 | 0 | 0 | 111.5 | L26 T193 L197 S226 | L26-T195 HydrophobicContact CB-CG2 4.02Å; L26-T195 HydrophobicContact CD1-CG2 4.2Å; T193-T195 VanDerWaalsContact C-N 3.31Å; T193-T195 PolarHBondContact O-N 3.1Å; T195-L197 PolarHBondContact O-N 2.98Å; T195-L197 WeakPolarHBondContact OG1-CD1 3.41Å; T195-L197 WeakPolarHBondContact OG1-CG 3.5Å; T195-S226 WeakPolarHBondContact O-CB 3.14Å; T195-S226 PolarHBondContact O-OG 3.19Å | ||
| 196 | V | 56.4 | Low | 71.6 | Confident | 40 Ų | 40 | 39.5 Ų | 39.5 | 24% | 0.242 | 20% | 0.203 | C | C | . | . | trans | -94.5 | 89 | -178.9 | -173.3 | 0 | 0 | 0 | 0 | 108.5 | N34 W37 A38 | N34-V196 HydrophobicContact CB-CG1 3.84Å; W37-V196 HydrophobicContact CE3-CG1 3.96Å; W37-V196 HydrophobicContact CZ3-CG1 4.1Å; A38-V196 HydrophobicContact CB-CB 4.38Å; A38-V196 HydrophobicContact CB-CG1 3.98Å; A38-V196 HydrophobicContact CB-CG2 3.64Å | ||
| 197 | L | 58.3 | Low | 70.7 | Confident | 15 Ų | 15 | 42.8 Ų | 42.8 | 8% | 0.079 | 22% | 0.224 | C | C | . | . | trans | -101.6 | 147.1 | -166.1 | -62.3 | 177.5 | 0 | 0 | 0 | 112.4 | L26 T195 C199 C209 | L26-L197 HydrophobicContact CB-CD2 3.93Å; L26-L197 HydrophobicContact CD1-CD1 4.31Å; L26-L197 HydrophobicContact CD1-CD2 4.47Å; L26-L197 HydrophobicContact CD2-CD1 3.94Å; L26-L197 HydrophobicContact CD2-CD2 3.69Å; L26-L197 HydrophobicContact CD2-CG 4.49Å; L26-L197 HydrophobicContact CG-CD2 4.19Å; T195-L197 PolarHBondContact O-N 2.98Å; T195-L197 WeakPolarHBondContact OG1-CD1 3.41Å; T195-L197 WeakPolarHBondContact OG1-CG 3.5Å; L197-C199 VanDerWaalsContact CB-SG 3.54Å; L197-C199 PolarHBondContact O-N 2.89Å; L197-C209 WeakPolarHBondContact CD1-SG 3.23Å | ||
| 198 | K | 62.3 | Low | 70.1 | Confident | 107 Ų | 107 | 43.1 Ų | 43.1 | 47% | 0.465 | 23% | 0.226 | S | C | . | . | trans | -70.6 | 65.7 | 160.4 | -72.5 | 175.2 | 165.5 | -168.1 | 0 | 110.3 | I30 C200 D201 | I30-K198 HydrophobicContact CD1-CD 4.31Å; I30-K198 HydrophobicContact CD1-CG 4Å; I30-K198 HydrophobicContact CG1-CD 4.45Å; I30-K198 HydrophobicContact CG1-CG 4.48Å; I30-K198 HydrophobicContact CG2-CG 4.23Å; K198-C200 PolarHBondContact O-N 3.29Å; K198-D201 HydrophobicContact CB-CB 3.84Å; K198-D201 HydrophobicContact CD-CB 4.4Å; K198-D201 WeakPolarHBondContact O-CB 3.28Å; K198-D201 PolarHBondContact O-N 3.46Å | ||
| 199 | C | 71.4 | Confident | 69.4 | Low | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -15.6 | -176.4 | -71.6 | 0 | 0 | 0 | 0 | 114.6 | L197 C209 P211 Y225 | L197-C199 VanDerWaalsContact CB-SG 3.54Å; L197-C199 PolarHBondContact O-N 2.89Å; C199-C209 WeakPolarHBondContact CA-SG 3.44Å; C199-C209 HydrophobicContact CB-CB 3.53Å; C199-C209 WeakPolarHBondContact CB-SG 3.38Å; C199-C209 WeakPolarHBondContact SG-CA 3.15Å; C199-C209 WeakPolarHBondContact SG-CB 3.34Å; C199-C209 CovalentContact SG-SG 2.04Å; C199-C209 PolarHBondContact SG-SG 2.95Å; C199-P211 HydrophobicContact CB-CB 4.09Å; C199-P211 HydrophobicContact CB-CG 4.5Å; C199-P211 WeakPolarHBondContact O-CG 3.08Å; C199-Y225 PolarHBondContact SG-O 3.12Å; C199-Y225 VanDerWaalsContact SG-O 3.38Å |
| 200 | C | 73 | Confident | 69 | Low | 46 Ų | 46 | 46.4 Ų | 46.4 | 31% | 0.311 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -10.1 | 171.7 | -58 | 0 | 0 | 0 | 0 | 114 | K198 T202 C222 | K198-C200 PolarHBondContact O-N 3.29Å; C200-T202 PolarHBondContact O-N 3.33Å; C200-C222 VanDerWaalsContact CA-SG 3.52Å; C200-C222 HydrophobicContact CB-CB 3.68Å; C200-C222 WeakPolarHBondContact CB-SG 3.47Å; C200-C222 WeakPolarHBondContact SG-CB 3.47Å; C200-C222 PolarHBondContact SG-O 3.48Å; C200-C222 CovalentContact SG-SG 2.03Å; C200-C222 PolarHBondContact SG-SG 2.89Å |
| 201 | D | 68.5 | Low | 68.6 | Low | 50 Ų | 50 | 45.9 Ų | 45.9 | 27% | 0.267 | 24% | 0.242 | S | C | . | . | trans | -79.4 | 104.6 | 178.6 | -167.4 | -30 | 0 | 0 | 0 | 110.5 | K198 Q203 Q204 | K198-D201 HydrophobicContact CB-CB 3.84Å; K198-D201 HydrophobicContact CD-CB 4.4Å; K198-D201 WeakPolarHBondContact O-CB 3.28Å; K198-D201 PolarHBondContact O-N 3.46Å; D201-Q203 PolarHBondContact O-N 2.55Å; D201-Q203 PolarHBondContact OD1-N 2.87Å; D201-Q204 PolarHBondContact O-N 3.25Å | ||
| 202 | T | 59.7 | Low | 68.4 | Low | 84 Ų | 84 | 45.3 Ų | 45.3 | 52% | 0.515 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -19.1 | -178.5 | 57.3 | 0 | 0 | 0 | 0 | 114.7 | C200 | C200-T202 PolarHBondContact O-N 3.33Š|
| 203 | Q | 58.1 | Low | 68.3 | Low | 176 Ų | 176 | 52.3 Ų | 52.3 | 82% | 0.822 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -9.4 | 177.9 | -61.2 | -167 | 3 | 0 | 0 | 113.7 | D201 | D201-Q203 PolarHBondContact O-N 2.55Å; D201-Q203 PolarHBondContact OD1-N 2.87Å |
| 204 | Q | 54.8 | Low | 67.8 | Low | 90 Ų | 90 | 53.4 Ų | 53.4 | 42% | 0.421 | 27% | 0.273 | S | S | . | . | trans | -133 | 34.9 | -175.7 | -61.5 | -168.4 | -3.6 | 0 | 0 | 113.4 | D201 S206 | D201-Q204 PolarHBondContact O-N 3.25Å; Q204-S206 PolarHBondContact O-N 2.73Å | ||
| 205 | Q | 58.5 | Low | 67.6 | Low | 108 Ų | 108 | 55.5 Ų | 55.5 | 51% | 0.505 | 29% | 0.291 | S | S | . | . | trans | -69.6 | 89.9 | 176.3 | -71.2 | -175.1 | -11.5 | 0 | 0 | 112.2 | ||||
| 206 | S | 64 | Low | 67.4 | Low | 15 Ų | 15 | 56.1 Ų | 56.1 | 11% | 0.105 | 30% | 0.304 | C | S | . | . | trans | -65.6 | 153.2 | 164.3 | -179.3 | 0 | 0 | 0 | 0 | 111.1 | Q204 E208 C209 | Q204-S206 PolarHBondContact O-N 2.73Å; S206-E208 PolarHBondContact O-N 3.06Å; S206-E208 VanDerWaalsContact O-N 3.11Å; S206-E208 PolarHBondContact OG-N 2.87Å; S206-C209 WeakPolarHBondContact O-CB 3.32Å; S206-C209 PolarHBondContact O-N 2.98Å | ||
| 207 | T | 68.2 | Low | 66.9 | Low | 72 Ų | 72 | 62.5 Ų | 62.5 | 44% | 0.442 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -9.9 | 172.9 | 68.3 | 0 | 0 | 0 | 0 | 113.4 | K22 | K22-T207 WeakPolarHBondContact CD-OG1 3.47Å; K22-T207 WeakPolarHBondContact CE-OG1 3.3Å; K22-T207 PolarHBondContact NZ-OG1 2.82Å; K22-T207 VanDerWaalsContact NZ-OG1 3.08Å |
| 208 | E | 78.3 | Confident | 66.3 | Low | 7 Ų | 7 | 65.8 Ų | 65.8 | 3% | 0.033 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 11.5 | 172.3 | -57.5 | -54.3 | 118.5 | 0 | 0 | 112.9 | L55 S206 S226 R227 R241 | L55-E208 HydrophobicContact CD1-CG 4.47Å; L55-E208 HydrophobicContact CD2-CG 4.46Å; L55-E208 WeakPolarHBondContact CD2-OE2 3.47Å; S206-E208 PolarHBondContact O-N 3.06Å; S206-E208 VanDerWaalsContact O-N 3.11Å; S206-E208 PolarHBondContact OG-N 2.87Å; E208-S226 WeakPolarHBondContact O-CA 3.36Å; E208-R227 PolarHBondContact O-N 3.14Å; E208-R241 IonicContact OE1-NH1 3.02Å; E208-R241 PolarHBondContact OE1-NH1 2.68Å; E208-R241 IonicContact OE2-CZ 2.69Å; E208-R241 IonicContact OE2-NH1 3.25Å; E208-R241 PolarHBondContact OE2-NH1 3.44Å; E208-R241 IonicContact OE2-NH2 2.77Å; E208-R241 PolarHBondContact OE2-NH2 2.91Å |
| 209 | C | 77.7 | Confident | 65.6 | Low | 20 Ų | 20 | 71.6 Ų | 71.6 | 14% | 0.135 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -103.5 | 128.3 | 167 | -83.9 | 0 | 0 | 0 | 0 | 110.8 | L197 C199 S206 | L197-C209 WeakPolarHBondContact CD1-SG 3.23Å; C199-C209 WeakPolarHBondContact CA-SG 3.44Å; C199-C209 HydrophobicContact CB-CB 3.53Å; C199-C209 WeakPolarHBondContact CB-SG 3.38Å; C199-C209 WeakPolarHBondContact SG-CA 3.15Å; C199-C209 WeakPolarHBondContact SG-CB 3.34Å; C199-C209 CovalentContact SG-SG 2.04Å; C199-C209 PolarHBondContact SG-SG 2.95Å; S206-C209 WeakPolarHBondContact O-CB 3.32Å; S206-C209 PolarHBondContact O-N 2.98Å |
| 210 | F | 81.2 | Confident | 64.7 | Low | 50 Ų | 50 | 76 Ų | 76 | 22% | 0.219 | 41% | 0.407 | C | S | . | . | trans | -134 | 61.9 | 175.9 | -179.1 | -135.7 | 0 | 0 | 0 | 109.3 | P142 Y225 R227 Q459 R462 D463 | P142-F210 HydrophobicContact CB-CE1 3.91Å; P142-F210 HydrophobicContact CB-CE2 4.1Å; P142-F210 HydrophobicContact CB-CZ 3.54Å; P142-F210 HydrophobicContact CG-CD1 3.97Å; P142-F210 HydrophobicContact CG-CD2 4.17Å; P142-F210 HydrophobicContact CG-CE1 3.59Å; P142-F210 HydrophobicContact CG-CE2 3.82Å; P142-F210 HydrophobicContact CG-CG 4.26Å; P142-F210 HydrophobicContact CG-CZ 3.51Å; F210-Y225 CarbonylContact C-O 3.49Å; F210-Y225 VanDerWaalsContact C-O 3.3Å; F210-Y225 HydrophobicContact CB-CD1 4.16Å; F210-Y225 HydrophobicContact CD1-CD1 4.31Å; F210-Y225 HydrophobicContact CD1-CE1 4.27Å; F210-Y225 PolarHBondContact N-O 3.34Å; F210-Y225 WeakPolarHBondContact O-CB 3.3Å; F210-Y225 WeakPolarHBondContact O-CD1 3.44Å; F210-R227 HydrophobicContact CB-CG 4Å; F210-Q459 HydrophobicContact CD1-CG 3.9Å; F210-Q459 VanDerWaalsContact CE1-CD 3.4Å; F210-Q459 HydrophobicContact CE1-CG 3.84Å; F210-Q459 VanDerWaalsContact CE1-NE2 3.32Å; F210-Q459 PolarHBondContact O-NE2 3.14Å; F210-R462 HydrophobicContact CE1-CB 4.09Å; F210-R462 HydrophobicContact CZ-CB 4.39Å; F210-D463 HydrophobicContact CD1-CB 4.19Å | ||
| 211 | P | 81.9 | Confident | 64.3 | Low | 22 Ų | 22 | 77.9 Ų | 77.9 | 14% | 0.143 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 147.7 | -170.6 | 28.3 | -37.3 | 0 | 0 | 0 | 112.9 | C199 Q459 | C199-P211 HydrophobicContact CB-CB 4.09Å; C199-P211 HydrophobicContact CB-CG 4.5Å; C199-P211 WeakPolarHBondContact O-CG 3.08Å; P211-Q459 PolarHBondContact O-NE2 3.19Å |
| 212 | I | 82.7 | Confident | 64.5 | Low | 2 Ų | 2 | 77.2 Ų | 77.2 | 1% | 0.01 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 119.4 | 173.5 | -51 | 163.5 | 0 | 0 | 0 | 107.8 | A154 C222 I223 A455 I456 Q459 | A154-I212 HydrophobicContact CB-CG2 4.03Å; I212-C222 CarbonylContact O-C 3.59Å; I212-C222 WeakPolarHBondContact O-CA 3.4Å; I212-I223 HydrophobicContact CB-CB 4.12Å; I212-I223 HydrophobicContact CD1-CB 4.23Å; I212-I223 HydrophobicContact CD1-CD1 4.35Å; I212-I223 HydrophobicContact CD1-CG2 4.42Å; I212-I223 PolarHBondContact N-O 3.41Å; I212-I223 VanDerWaalsContact N-O 3.09Å; I212-I223 PolarHBondContact O-N 3.44Å; I212-A455 HydrophobicContact CD1-CB 4.17Å; I212-A455 WeakPolarHBondContact CD1-O 3.4Å; I212-A455 HydrophobicContact CG2-CB 4.41Å; I212-I456 HydrophobicContact CD1-CG1 3.91Å; I212-Q459 HydrophobicContact CD1-CB 3.77Å; I212-Q459 HydrophobicContact CD1-CG 4.13Å; I212-Q459 HydrophobicContact CG1-CB 3.71Å; I212-Q459 HydrophobicContact CG1-CG 3.55Å |
| 213 | R | 78 | Confident | 65.3 | Low | 147 Ų | 147 | 74.2 Ų | 74.2 | 56% | 0.555 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 137.4 | 171.7 | -57.6 | -178.9 | -171.9 | 165.2 | 6 | 109.7 | T153 | T153-R213 WeakPolarHBondContact CB-O 3.34Å; T153-R213 HydrophobicContact CG2-CB 4.48Å; T153-R213 PolarHBondContact OG1-O 3.29Å |
| 214 | S | 67.6 | Low | 66 | Low | 27 Ų | 27 | 67.5 Ų | 67.5 | 19% | 0.189 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 166.5 | 170.5 | -73.3 | 0 | 0 | 0 | 0 | 112.1 | G216 D221 | S214-G216 PolarHBondContact O-N 3Å; S214-D221 WeakPolarHBondContact CB-O 3.35Å; S214-D221 PolarHBondContact N-O 3.11Å; S214-D221 VanDerWaalsContact N-O 3.1Å; S214-D221 WeakPolarHBondContact OG-CB 3.32Å; S214-D221 PolarHBondContact OG-O 3.12Å |
| 215 | A | 59.3 | Low | 67.2 | Low | 58 Ų | 58 | 63.4 Ų | 63.4 | 48% | 0.479 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -71.1 | -13 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115 | L156 | L156-A215 HydrophobicContact CB-CB 4.01Å; L156-A215 HydrophobicContact CD1-CB 3.9Å; L156-A215 HydrophobicContact CG-CB 4.37Å |
| 216 | G | 55 | Low | 68.1 | Low | 43 Ų | 43 | 58.2 Ų | 58.2 | 44% | 0.443 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -103.8 | 145.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S214 T218 | S214-G216 PolarHBondContact O-N 3Å; G216-T218 PolarHBondContact O-N 3.24Å |
| 217 | D | 46.9 | Very low | 69.2 | Low | 174 Ų | 174 | 58 Ų | 58 | 93% | 0.93 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -73.1 | 20.5 | -175.1 | -159.2 | 23.3 | 0 | 0 | 0 | 114.3 | R219 | D217-R219 PolarHBondContact O-N 3.3Š|
| 218 | T | 45.7 | Very low | 70.2 | Confident | 83 Ų | 83 | 54.7 Ų | 54.7 | 51% | 0.509 | 30% | 0.298 | S | S | . | . | trans | -83.4 | 106.8 | 176.5 | 42.9 | 0 | 0 | 0 | 0 | 110.4 | G216 S220 D221 | G216-T218 PolarHBondContact O-N 3.24Å; T218-S220 PolarHBondContact O-N 2.78Å; T218-D221 PolarHBondContact O-N 3.07Å | ||
| 219 | R | 47.7 | Very low | 70.6 | Confident | 229 Ų | 229 | 54.3 Ų | 54.3 | 86% | 0.864 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.7 | -13.6 | 177.5 | -85.6 | -177.6 | 170.4 | 179.7 | -3.1 | 116.8 | D217 | D217-R219 PolarHBondContact O-N 3.3Š|
| 220 | S | 51.4 | Low | 71.1 | Confident | 93 Ų | 93 | 53.5 Ų | 53.5 | 65% | 0.65 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -31.6 | 175.7 | 47.3 | 0 | 0 | 0 | 0 | 113.4 | T218 C222 | T218-S220 PolarHBondContact O-N 2.78Å; S220-C222 PolarHBondContact O-N 2.82Å |
| 221 | D | 65.2 | Low | 71.5 | Confident | 85 Ų | 85 | 51.3 Ų | 51.3 | 46% | 0.455 | 28% | 0.282 | S | S | . | . | trans | -105.1 | 86.5 | -161 | -69 | 31.3 | 0 | 0 | 0 | 110.3 | S214 T218 | S214-D221 WeakPolarHBondContact CB-O 3.35Å; S214-D221 PolarHBondContact N-O 3.11Å; S214-D221 VanDerWaalsContact N-O 3.1Å; S214-D221 WeakPolarHBondContact OG-CB 3.32Å; S214-D221 PolarHBondContact OG-O 3.12Å; T218-D221 PolarHBondContact O-N 3.07Å | ||
| 222 | C | 73.3 | Confident | 71.7 | Confident | 37 Ų | 37 | 51.9 Ų | 51.9 | 25% | 0.25 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 128.3 | -176.9 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | C200 I212 S220 | C200-C222 VanDerWaalsContact CA-SG 3.52Å; C200-C222 HydrophobicContact CB-CB 3.68Å; C200-C222 WeakPolarHBondContact CB-SG 3.47Å; C200-C222 WeakPolarHBondContact SG-CB 3.47Å; C200-C222 PolarHBondContact SG-O 3.48Å; C200-C222 CovalentContact SG-SG 2.03Å; C200-C222 PolarHBondContact SG-SG 2.89Å; I212-C222 CarbonylContact O-C 3.59Å; I212-C222 WeakPolarHBondContact O-CA 3.4Å; S220-C222 PolarHBondContact O-N 2.82Å |
| 223 | I | 75.8 | Confident | 71.8 | Confident | 20 Ų | 20 | 53 Ų | 53 | 10% | 0.103 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 121.3 | 173.9 | -50.3 | 173.4 | 0 | 0 | 0 | 107.7 | I212 Y225 V451 D452 I456 | I212-I223 HydrophobicContact CB-CB 4.12Å; I212-I223 HydrophobicContact CD1-CB 4.23Å; I212-I223 HydrophobicContact CD1-CD1 4.35Å; I212-I223 HydrophobicContact CD1-CG2 4.42Å; I212-I223 PolarHBondContact N-O 3.41Å; I212-I223 VanDerWaalsContact N-O 3.09Å; I212-I223 PolarHBondContact O-N 3.44Å; I223-Y225 PolarHBondContact O-N 3.18Å; I223-Y225 VanDerWaalsContact O-N 3.12Å; I223-V451 HydrophobicContact CG2-CB 4.1Å; I223-V451 HydrophobicContact CG2-CG1 3.96Å; I223-D452 HydrophobicContact CD1-CB 3.76Å; I223-I456 HydrophobicContact CG2-CD1 4.18Å; I223-I456 HydrophobicContact CG2-CG1 4.23Å |
| 224 | P | 73.7 | Confident | 71.7 | Confident | 35 Ų | 35 | 50.2 Ų | 50.2 | 23% | 0.227 | 29% | 0.293 | C | S | . | . | trans | -67.5 | 114.7 | 179 | 27.7 | -33.4 | 0 | 0 | 0 | 109.7 | W37 | W37-P224 WeakPolarHBondContact CZ2-O 3.35Š| ||
| 225 | Y | 79.7 | Confident | 71.9 | Confident | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | trans | -125.1 | 108.9 | 174.1 | -175.4 | -80.9 | 0 | 0 | 0 | 108.4 | C199 F210 I223 T228 I456 Q459 M460 D463 | C199-Y225 PolarHBondContact SG-O 3.12Å; C199-Y225 VanDerWaalsContact SG-O 3.38Å; F210-Y225 CarbonylContact C-O 3.49Å; F210-Y225 VanDerWaalsContact C-O 3.3Å; F210-Y225 HydrophobicContact CB-CD1 4.16Å; F210-Y225 HydrophobicContact CD1-CD1 4.31Å; F210-Y225 HydrophobicContact CD1-CE1 4.27Å; F210-Y225 PolarHBondContact N-O 3.34Å; F210-Y225 WeakPolarHBondContact O-CB 3.3Å; F210-Y225 WeakPolarHBondContact O-CD1 3.44Å; I223-Y225 PolarHBondContact O-N 3.18Å; I223-Y225 VanDerWaalsContact O-N 3.12Å; Y225-T228 WeakPolarHBondContact OH-CG2 3.41Å; Y225-I456 HydrophobicContact CD2-CG2 4.34Å; Y225-I456 HydrophobicContact CE2-CG2 4.26Å; Y225-Q459 HydrophobicContact CD1-CG 3.88Å; Y225-Q459 HydrophobicContact CD2-CB 4.31Å; Y225-Q459 HydrophobicContact CD2-CG 4.1Å; Y225-Q459 HydrophobicContact CE1-CG 4.15Å; Y225-Q459 HydrophobicContact CE2-CB 4.37Å; Y225-Q459 HydrophobicContact CE2-CG 4.35Å; Y225-Q459 HydrophobicContact CG-CG 3.88Å; Y225-M460 HydrophobicContact CE2-CB 4.32Å; Y225-M460 VanDerWaalsContact OH-CA 3.29Å; Y225-M460 WeakPolarHBondContact OH-CA 3.36Å; Y225-D463 HydrophobicContact CE1-CB 3.9Å; Y225-D463 PolarHBondContact OH-OD2 3.29Å | ||
| 226 | S | 78.2 | Confident | 72.8 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -88.3 | 146.4 | 166.1 | 55.9 | 0 | 0 | 0 | 0 | 109.3 | W37 T193 T195 E208 | W37-S226 WeakPolarHBondContact CH2-OG 3.19Å; T193-S226 WeakPolarHBondContact CB-OG 3.29Å; T193-S226 WeakPolarHBondContact CG2-O 3.39Å; T195-S226 WeakPolarHBondContact O-CB 3.14Å; T195-S226 PolarHBondContact O-OG 3.19Å; E208-S226 WeakPolarHBondContact O-CA 3.36Å |
| 227 | R | 85.8 | Confident | 74 | Confident | 10 Ų | 10 | 51.7 Ų | 51.7 | 4% | 0.038 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 140.4 | -179.4 | -60.9 | -167.7 | 71.2 | 156.9 | 10.7 | 110.4 | S140 E208 F210 D463 | S140-R227 VanDerWaalsContact O-CZ 3.22Å; S140-R227 PolarHBondContact O-NH1 3.11Å; S140-R227 PolarHBondContact O-NH2 3.3Å; E208-R227 PolarHBondContact O-N 3.14Å; F210-R227 HydrophobicContact CB-CG 4Å; R227-D463 IonicContact CZ-OD1 2.69Å; R227-D463 IonicContact NE-OD1 3.7Å; R227-D463 PolarHBondContact NE-OD1 3.34Å; R227-D463 PolarHBondContact NH2-O 2.92Å; R227-D463 IonicContact NH2-OD1 2.97Å; R227-D463 PolarHBondContact NH2-OD1 3.5Å |
| 228 | T | 89.1 | Confident | 75.7 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -60 | 154.6 | 175.6 | 54.6 | 0 | 0 | 0 | 0 | 111.2 | I191 G192 Y225 A230 R241 Q243 M460 D463 H464 | I191-T228 HydrophobicContact CG2-CG2 3.42Å; I191-T228 VanDerWaalsContact CG2-CG2 3.42Å; G192-T228 CarbonylContact O-C 3.5Å; G192-T228 WeakPolarHBondContact O-CA 3.45Å; Y225-T228 WeakPolarHBondContact OH-CG2 3.41Å; T228-A230 PolarHBondContact O-N 3.01Å; T228-A230 VanDerWaalsContact O-N 3.08Å; T228-R241 PolarHBondContact O-NH2 3.38Å; T228-Q243 WeakPolarHBondContact OG1-CG 3.45Å; T228-M460 HydrophobicContact CG2-CG 4.42Å; T228-D463 WeakPolarHBondContact CB-OD2 3.47Å; T228-D463 PolarHBondContact N-OD2 3.12Å; T228-D463 PolarHBondContact OG1-OD2 3.18Å; T228-H464 WeakPolarHBondContact CG2-NE2 3.4Å; T228-H464 PolarHBondContact OG1-NE2 3.35Å |
| 229 | L | 87 | Confident | 77.7 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -51.1 | 118.6 | 179.9 | -72.6 | 177.7 | 0 | 0 | 0 | 110.7 | S43 A47 K48 G192 A231 Q243 A244 Q246 | S43-L229 VanDerWaalsContact OG-CD1 3.23Å; S43-L229 WeakPolarHBondContact OG-CD1 3.42Å; S43-L229 WeakPolarHBondContact OG-CG 3.23Å; A47-L229 HydrophobicContact CB-CD1 3.49Å; A47-L229 VanDerWaalsContact CB-CD1 3.49Å; K48-L229 HydrophobicContact CG-CD2 4.23Å; G192-L229 PolarHBondContact O-N 3.35Å; L229-A231 PolarHBondContact O-N 3.14Å; L229-Q243 CarbonylContact O-C 3.41Å; L229-Q243 WeakPolarHBondContact O-CA 3.4Å; L229-A244 HydrophobicContact CB-CB 3.87Å; L229-A244 HydrophobicContact CD1-CB 4.32Å; L229-A244 PolarHBondContact O-N 3.21Å; L229-Q246 HydrophobicContact CD1-CG 3.99Å |
| 230 | A | 88.7 | Confident | 79.7 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 2% | 0.017 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 133.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | S51 A54 L55 T228 R241 Q242 | S51-A230 VanDerWaalsContact CA-O 3.24Å; S51-A230 WeakPolarHBondContact CA-O 3.49Å; S51-A230 VanDerWaalsContact CB-O 3.23Å; S51-A230 WeakPolarHBondContact CB-O 3.3Å; S51-A230 PolarHBondContact OG-N 2.83Å; S51-A230 PolarHBondContact OG-O 2.89Å; A54-A230 HydrophobicContact CB-CB 3.87Å; L55-A230 HydrophobicContact CD2-CB 3.92Å; L55-A230 HydrophobicContact CG-CB 4.2Å; T228-A230 PolarHBondContact O-N 3.01Å; T228-A230 VanDerWaalsContact O-N 3.08Å; A230-R241 HydrophobicContact CB-CG 4.26Å; A230-Q242 CarbonylContact C-O 3.6Å; A230-Q242 VanDerWaalsContact CA-O 3.3Å; A230-Q242 WeakPolarHBondContact CA-O 3.47Å |
| 231 | A | 89.4 | Confident | 81.6 | Confident | 5 Ų | 5 | 27 Ų | 27 | 4% | 0.041 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 157.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | A54 A126 L229 Q242 A244 | A54-A231 WeakPolarHBondContact CB-O 3.13Å; A126-A231 HydrophobicContact CB-CB 3.81Å; L229-A231 PolarHBondContact O-N 3.14Å; A231-Q242 HydrophobicContact CB-CB 4.23Å; A231-Q242 PolarHBondContact N-O 2.72Å; A231-A244 HydrophobicContact CB-CB 3.93Å |
| 232 | L | 85.3 | Confident | 82.9 | Confident | 33 Ų | 33 | 24 Ų | 24 | 17% | 0.173 | 14% | 0.141 | C | C | . | . | P | Polyproline II helix | trans | -64.6 | 141.8 | 166.1 | -67 | 170 | 0 | 0 | 0 | 109.3 | T50 A54 L57 | T50-L232 HydrophobicContact CG2-CD1 3.87Å; T50-L232 HydrophobicContact CG2-CG 4.08Å; A54-L232 HydrophobicContact CB-CD2 4.07Å; A54-L232 HydrophobicContact CB-CG 4.33Å; L57-L232 HydrophobicContact CD1-CD2 3.76Å |
| 233 | N | 84.5 | Confident | 83.8 | Confident | 27 Ų | 27 | 22.3 Ų | 22.3 | 14% | 0.144 | 13% | 0.13 | C | C | . | . | P | Polyproline II helix | trans | -67 | 161.5 | 166 | -73.8 | -68.8 | 0 | 0 | 0 | 110 | C236 S237 E240 Q242 | N233-C236 WeakPolarHBondContact O-CA 3.5Å; N233-C236 PolarHBondContact O-N 2.7Å; N233-S237 WeakPolarHBondContact CB-OG 3.28Å; N233-E240 PolarHBondContact ND2-O 3.25Å; N233-E240 PolarHBondContact OD1-O 2.79Å; N233-Q242 WeakPolarHBondContact OD1-CG 3.31Å; N233-Q242 PolarHBondContact OD1-NE2 3.12Å; N233-Q242 VanDerWaalsContact OD1-NE2 3.09Å |
| 234 | S | 76.2 | Confident | 84.4 | Confident | 88 Ų | 88 | 21.5 Ų | 21.5 | 62% | 0.615 | 13% | 0.126 | S | C | * | . | G | 310 helix | trans | -52.4 | 140.9 | 179.3 | 49.7 | 0 | 0 | 0 | 0 | 112 | C236 S237 | S234-C236 PolarHBondContact O-N 3.31Å; S234-S237 PolarHBondContact O-N 3.33Å; S234-S237 PolarHBondContact O-OG 2.99Å; S234-S237 VanDerWaalsContact O-OG 3.12Å |
| 235 | N | 72.2 | Confident | 85.3 | Confident | 122 Ų | 122 | 20 Ų | 20 | 65% | 0.652 | 12% | 0.116 | S | C | * | . | G | 310 helix | trans | 58.7 | 7.4 | -173 | -64.6 | -38.5 | 0 | 0 | 0 | 116.6 | P80 R94 | P80-N235 WeakPolarHBondContact CB-O 3.48Å; P80-N235 HydrophobicContact CG-CB 4.08Å; P80-N235 WeakPolarHBondContact CG-O 3.45Å; R94-N235 PolarHBondContact NH2-O 2.81Å; R94-N235 VanDerWaalsContact NH2-O 3.15Å |
| 236 | C | 77.2 | Confident | 85.7 | Confident | 11 Ų | 11 | 20.1 Ų | 20.1 | 7% | 0.074 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | 70.6 | 37.7 | -170.9 | -153.6 | 0 | 0 | 0 | 0 | 113.8 | L57 I83 C92 N233 S234 | L57-C236 VanDerWaalsContact CD1-SG 3.54Å; I83-C236 WeakPolarHBondContact CD1-O 3.11Å; C92-C236 WeakPolarHBondContact CA-SG 3.26Å; C92-C236 HydrophobicContact CB-CB 3.67Å; C92-C236 WeakPolarHBondContact CB-SG 3.43Å; C92-C236 WeakPolarHBondContact SG-CB 3.04Å; C92-C236 CovalentContact SG-SG 2.04Å; C92-C236 PolarHBondContact SG-SG 3.3Å; N233-C236 WeakPolarHBondContact O-CA 3.5Å; N233-C236 PolarHBondContact O-N 2.7Å; S234-C236 PolarHBondContact O-N 3.31Å |
| 237 | S | 80.8 | Confident | 86.2 | Confident | 26 Ų | 26 | 20.1 Ų | 20.1 | 18% | 0.182 | 12% | 0.116 | C | C | . | . | trans | -73.9 | 161.3 | 174.9 | 59 | 0 | 0 | 0 | 0 | 113.5 | N233 S234 | N233-S237 WeakPolarHBondContact CB-OG 3.28Å; S234-S237 PolarHBondContact O-N 3.33Å; S234-S237 PolarHBondContact O-OG 2.99Å; S234-S237 VanDerWaalsContact O-OG 3.12Å | ||
| 238 | L | 83.9 | Confident | 86.4 | Confident | 3 Ų | 3 | 19.6 Ų | 19.6 | 2% | 0.016 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -72.9 | 160 | 161.7 | -67 | 169.9 | 0 | 0 | 0 | 109.6 | L57 T60 T61 L64 I74 N75 Y78 I83 | L57-L238 HydrophobicContact CB-CD2 3.97Å; L57-L238 HydrophobicContact CD2-CD2 4.05Å; L57-L238 WeakPolarHBondContact O-CD2 3.35Å; T60-L238 HydrophobicContact CG2-CD1 4.31Å; T60-L238 HydrophobicContact CG2-CD2 3.83Å; T61-L238 WeakPolarHBondContact OG1-CB 3.34Å; T61-L238 WeakPolarHBondContact OG1-CD2 3.47Å; L64-L238 HydrophobicContact CD1-CD1 3.69Å; I74-L238 HydrophobicContact CG2-CB 3.51Å; I74-L238 HydrophobicContact CG2-CD1 3.51Å; I74-L238 HydrophobicContact CG2-CG 4.15Å; N75-L238 PolarHBondContact OD1-O 2.82Å; Y78-L238 HydrophobicContact CD2-CD1 4.35Å; Y78-L238 HydrophobicContact CG-CD1 3.99Å; I83-L238 HydrophobicContact CD1-CD1 4.45Å; I83-L238 HydrophobicContact CD1-CG 3.96Å |
| 239 | G | 86.7 | Confident | 86.5 | Confident | 6 Ų | 6 | 19.7 Ų | 19.7 | 6% | 0.062 | 12% | 0.115 | C | C | . | . | trans | 148.7 | -153.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | T61 | T61-G239 PolarHBondContact OG1-N 3.46Š| ||
| 240 | E | 90.1 | Very high | 86.7 | Confident | 48 Ų | 48 | 19.7 Ų | 19.7 | 22% | 0.224 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -74.1 | 164 | -177.2 | -64.5 | 163.3 | 159.5 | 0 | 0 | 112.4 | L71 P133 Y135 I139 N233 Q242 | L71-E240 HydrophobicContact CD1-CG 4.36Å; P133-E240 WeakPolarHBondContact CD-OE2 3.44Å; P133-E240 HydrophobicContact CG-CB 4.2Å; P133-E240 HydrophobicContact CG-CG 4.39Å; P133-E240 WeakPolarHBondContact CG-OE2 3.44Å; Y135-E240 HydrophobicContact CD2-CB 4.4Å; Y135-E240 HydrophobicContact CE2-CB 4.31Å; I139-E240 CarbonylContact O-C 3.5Å; I139-E240 WeakPolarHBondContact O-CA 3.49Å; N233-E240 PolarHBondContact ND2-O 3.25Å; N233-E240 PolarHBondContact OD1-O 2.79Å; E240-Q242 PolarHBondContact O-N 3.07Å |
| 241 | R | 91.9 | Very high | 86.8 | Confident | 3 Ų | 3 | 19.6 Ų | 19.6 | 1% | 0.011 | 11% | 0.114 | C | C | . | . | trans | -75 | 115.2 | 173.6 | -172.7 | -173.1 | -168.2 | 109.7 | -3.5 | 109.4 | L58 Y135 I139 E208 T228 A230 | L58-R241 HydrophobicContact CD1-CB 3.9Å; L58-R241 HydrophobicContact CD2-CB 3.93Å; L58-R241 HydrophobicContact CD2-CG 4.05Å; Y135-R241 HydrophobicContact CE2-CB 4.14Å; Y135-R241 WeakPolarHBondContact CE2-O 3.49Å; Y135-R241 PolarHBondContact OH-O 2.83Å; I139-R241 PolarHBondContact O-N 3.33Å; E208-R241 IonicContact OE1-NH1 3.02Å; E208-R241 PolarHBondContact OE1-NH1 2.68Å; E208-R241 IonicContact OE2-CZ 2.69Å; E208-R241 IonicContact OE2-NH1 3.25Å; E208-R241 PolarHBondContact OE2-NH1 3.44Å; E208-R241 IonicContact OE2-NH2 2.77Å; E208-R241 PolarHBondContact OE2-NH2 2.91Å; T228-R241 PolarHBondContact O-NH2 3.38Å; A230-R241 HydrophobicContact CB-CG 4.26Å | ||
| 242 | Q | 92.1 | Very high | 86.8 | Confident | 22 Ų | 22 | 19.6 Ų | 19.6 | 10% | 0.103 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 163.1 | 160.7 | -45.3 | -50.4 | -21.7 | 0 | 0 | 110 | A126 A230 A231 N233 E240 | A126-Q242 HydrophobicContact CB-CB 3.59Å; A126-Q242 HydrophobicContact CB-CG 4.08Å; A230-Q242 CarbonylContact C-O 3.6Å; A230-Q242 VanDerWaalsContact CA-O 3.3Å; A230-Q242 WeakPolarHBondContact CA-O 3.47Å; A231-Q242 HydrophobicContact CB-CB 4.23Å; A231-Q242 PolarHBondContact N-O 2.72Å; N233-Q242 WeakPolarHBondContact OD1-CG 3.31Å; N233-Q242 PolarHBondContact OD1-NE2 3.12Å; N233-Q242 VanDerWaalsContact OD1-NE2 3.09Å; E240-Q242 PolarHBondContact O-N 3.07Å |
| 243 | Q | 91.4 | Very high | 87.1 | Confident | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.009 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 137.7 | -179.5 | -74 | 74 | 21.6 | 0 | 0 | 110 | A126 F127 Y135 T228 L229 N383 D463 | A126-Q243 WeakPolarHBondContact CA-O 3.4Å; F127-Q243 HydrophobicContact CD2-CB 4.01Å; F127-Q243 WeakPolarHBondContact CD2-O 3.36Å; F127-Q243 HydrophobicContact CE2-CB 4.3Å; F127-Q243 PolarHBondContact N-O 3.03Å; F127-Q243 VanDerWaalsContact N-O 3.12Å; Y135-Q243 PolarHBondContact OH-NE2 2.81Å; T228-Q243 WeakPolarHBondContact OG1-CG 3.45Å; L229-Q243 CarbonylContact O-C 3.41Å; L229-Q243 WeakPolarHBondContact O-CA 3.4Å; Q243-N383 PolarHBondContact OE1-ND2 3.37Å; Q243-D463 PolarHBondContact NE2-O 3.24Å |
| 244 | A | 89.3 | Confident | 87.2 | Confident | 3 Ų | 3 | 16.7 Ų | 16.7 | 3% | 0.025 | 10% | 0.098 | C | C | . | . | B | Isolated β-bridge | trans | -82.5 | 124.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q125 L229 A231 | Q125-A244 WeakPolarHBondContact O-CA 3.45Å; L229-A244 HydrophobicContact CB-CB 3.87Å; L229-A244 HydrophobicContact CD1-CB 4.32Å; L229-A244 PolarHBondContact O-N 3.21Å; A231-A244 HydrophobicContact CB-CB 3.93Å |
| 245 | N | 91.2 | Very high | 87.4 | Confident | 3 Ų | 3 | 12.8 Ų | 12.8 | 2% | 0.016 | 7% | 0.07 | C | C | . | . | trans | -74.8 | 132.3 | 162.5 | -164.6 | 4.4 | 0 | 0 | 0 | 108.9 | F124 Q125 F127 L188 K190 A247 | F124-N245 WeakPolarHBondContact CA-O 3.36Å; F124-N245 PolarHBondContact N-O 3.18Å; Q125-N245 PolarHBondContact O-N 2.67Å; F127-N245 HydrophobicContact CD1-CB 3.98Å; F127-N245 HydrophobicContact CE1-CB 3.47Å; F127-N245 VanDerWaalsContact CE1-CB 3.47Å; F127-N245 VanDerWaalsContact CE1-CG 3.41Å; F127-N245 HydrophobicContact CE2-CB 4.13Å; F127-N245 HydrophobicContact CZ-CB 3.55Å; L188-N245 PolarHBondContact O-ND2 3.22Å; K190-N245 PolarHBondContact N-OD1 3.43Å; N245-A247 PolarHBondContact ND2-O 3.1Å; N245-A247 PolarHBondContact OD1-N 2.71Å | ||
| 246 | Q | 88.8 | Confident | 88.1 | Confident | 6 Ų | 6 | 7.3 Ų | 7.3 | 3% | 0.028 | 4% | 0.041 | C | C | . | . | S | Bend | trans | -100.5 | -1.7 | 170.8 | -53.2 | -174.8 | 96.7 | 0 | 0 | 112.9 | S42 S43 A47 F124 K190 L229 | S42-Q246 PolarHBondContact O-NE2 3.33Å; S43-Q246 PolarHBondContact OG-NE2 3.04Å; S43-Q246 PolarHBondContact OG-OE1 3.38Å; A47-Q246 HydrophobicContact CB-CG 4.15Å; A47-Q246 VanDerWaalsContact CB-OE1 3.31Å; F124-Q246 HydrophobicContact CD1-CB 4.24Å; F124-Q246 HydrophobicContact CD1-CG 4.18Å; F124-Q246 HydrophobicContact CE1-CB 4.08Å; F124-Q246 HydrophobicContact CE1-CG 4.34Å; K190-Q246 HydrophobicContact CB-CB 3.98Å; K190-Q246 HydrophobicContact CD-CB 4.2Å; K190-Q246 HydrophobicContact CG-CB 4.05Å; K190-Q246 VanDerWaalsContact O-CB 3.24Å; K190-Q246 WeakPolarHBondContact O-CB 3.47Å; K190-Q246 WeakPolarHBondContact O-CG 3.3Å; K190-Q246 PolarHBondContact O-N 3.09Å; L229-Q246 HydrophobicContact CD1-CG 3.99Å |
| 247 | A | 89.1 | Confident | 88.6 | Confident | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.038 | C | C | . | . | S | Bend | trans | -92.3 | 164.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | K190 N245 N259 | K190-A247 HydrophobicContact CB-CB 4.02Å; N245-A247 PolarHBondContact ND2-O 3.1Å; N245-A247 PolarHBondContact OD1-N 2.71Å; A247-N259 WeakPolarHBondContact CA-OD1 3.2Å |
| 248 | T | 90.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.03 | C | C | . | . | trans | -69.4 | 166.3 | 160.9 | 86.8 | 0 | 0 | 0 | 0 | 109.6 | F108 V123 L188 F250 D252 S254 N259 | F108-T248 WeakPolarHBondContact O-CG2 3.45Å; V123-T248 HydrophobicContact CG1-CG2 3.9Å; L188-T248 CarbonylContact C-O 3.58Å; L188-T248 VanDerWaalsContact O-O 3.05Å; T248-F250 VanDerWaalsContact C-N 3.35Å; T248-F250 PolarHBondContact OG1-N 3.37Å; T248-F250 PolarHBondContact OG1-O 2.97Å; T248-D252 PolarHBondContact OG1-OD1 3.07Å; T248-S254 VanDerWaalsContact CG2-OG 3.26Å; T248-S254 WeakPolarHBondContact CG2-OG 3.28Å; T248-S254 PolarHBondContact OG1-OG 3.39Å; T248-N259 PolarHBondContact N-OD1 2.96Å | ||
| 249 | S | 91.3 | Very high | 88.8 | Confident | 3 Ų | 3 | 6.4 Ų | 6.4 | 2% | 0.021 | 3% | 0.034 | C | C | . | . | S | Bend | trans | -97.1 | 22.4 | 177 | -60.6 | 0 | 0 | 0 | 0 | 113.7 | G121 S380 V381 | G121-S249 WeakPolarHBondContact CA-OG 3.46Å; G121-S249 PolarHBondContact O-N 3.13Å; G121-S249 PolarHBondContact O-OG 3.21Å; S249-S380 WeakPolarHBondContact OG-CA 3.27Å; S249-V381 PolarHBondContact OG-N 3.35Å; S249-V381 VanDerWaalsContact OG-N 3.15Å |
| 250 | F | 90.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.037 | C | C | . | . | S | Bend | trans | -129.8 | 148.8 | -171.4 | -50.1 | -75.4 | 0 | 0 | 0 | 110.9 | N113 G121 T248 D252 P379 D543 | N113-F250 HydrophobicContact CB-CE1 4.16Å; N113-F250 HydrophobicContact CB-CE2 3.62Å; N113-F250 HydrophobicContact CB-CZ 3.41Å; N113-F250 VanDerWaalsContact CB-CZ 3.41Å; N113-F250 WeakPolarHBondContact ND2-CE1 3.28Å; N113-F250 WeakPolarHBondContact ND2-CZ 3.49Å; G121-F250 WeakPolarHBondContact O-CE2 3.41Å; T248-F250 VanDerWaalsContact C-N 3.35Å; T248-F250 PolarHBondContact OG1-N 3.37Å; T248-F250 PolarHBondContact OG1-O 2.97Å; F250-D252 HydrophobicContact CB-CB 4.49Å; F250-D252 PolarHBondContact O-N 3.33Å; F250-D252 VanDerWaalsContact O-N 3.15Å; F250-P379 HydrophobicContact CE1-CB 3.56Å; F250-P379 HydrophobicContact CE1-CG 3.97Å; F250-P379 HydrophobicContact CZ-CB 3.95Å; F250-P379 HydrophobicContact CZ-CG 3.9Å; F250-D543 HydrophobicContact CD1-CB 4.03Å; F250-D543 HydrophobicContact CE1-CB 4.44Å |
| 251 | L | 90.9 | Very high | 88 | Confident | 1 Ų | 1 | 7 Ų | 7 | 1% | 0.005 | 5% | 0.046 | C | C | . | . | S | Bend | trans | -75.7 | 102.5 | 166.8 | -59.9 | -174.3 | 0 | 0 | 0 | 108.1 | R106 V184 L188 Q340 T343 F344 F535 V538 | R106-L251 PolarHBondContact NH2-O 3.28Å; V184-L251 HydrophobicContact CG1-CD2 3.97Å; L188-L251 HydrophobicContact CD1-CD2 3.95Å; L188-L251 HydrophobicContact CD2-CD2 3.84Å; L188-L251 HydrophobicContact CD2-CG 4.42Å; L188-L251 HydrophobicContact CG-CD2 3.71Å; L251-Q340 HydrophobicContact CB-CG 3.88Å; L251-Q340 PolarHBondContact O-NE2 3.29Å; L251-T343 HydrophobicContact CD1-CG2 3.82Å; L251-F344 HydrophobicContact CD1-CD2 4.22Å; L251-F344 HydrophobicContact CD1-CE2 3.65Å; L251-F535 HydrophobicContact CD1-CE1 4.4Å; L251-V538 HydrophobicContact CG-CG1 4.34Å |
| 252 | D | 89.8 | Confident | 87.4 | Confident | 4 Ų | 4 | 14 Ų | 14 | 2% | 0.021 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -147.5 | 8 | -172.5 | 91.7 | -38.6 | 0 | 0 | 0 | 114.6 | R106 D187 T248 F250 S254 R332 | R106-D252 VanDerWaalsContact CD-OD2 3.31Å; R106-D252 WeakPolarHBondContact CD-OD2 3.3Å; R106-D252 IonicContact NE-OD2 3.56Å; R106-D252 PolarHBondContact NE-OD2 3.1Å; D187-D252 PolarHBondContact OD2-N 2.86Å; T248-D252 PolarHBondContact OG1-OD1 3.07Å; F250-D252 HydrophobicContact CB-CB 4.49Å; F250-D252 PolarHBondContact O-N 3.33Å; F250-D252 VanDerWaalsContact O-N 3.15Å; D252-S254 VanDerWaalsContact C-N 3.29Å; D252-S254 PolarHBondContact O-N 3.37Å; D252-S254 VanDerWaalsContact OD1-CB 3.25Å; D252-S254 WeakPolarHBondContact OD1-CB 3.49Å; D252-S254 PolarHBondContact OD1-N 3.1Å; D252-S254 PolarHBondContact OD1-OG 3.19Å; D252-R332 IonicContact OD2-CZ 3.74Å; D252-R332 IonicContact OD2-NH2 3.93Å; D252-R332 PolarHBondContact OD2-NH2 3.07Å |
| 253 | A | 90.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.08 | C | C | . | . | trans | 61.9 | 33.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | D187 M255 I256 Y257 I335 I339 | D187-A253 WeakPolarHBondContact OD1-CA 3.36Å; D187-A253 PolarHBondContact OD1-N 3.13Å; D187-A253 WeakPolarHBondContact OD2-CA 3.08Å; D187-A253 PolarHBondContact OD2-N 3.17Å; A253-M255 PolarHBondContact O-N 3.45Å; A253-I256 HydrophobicContact CB-CB 4.1Å; A253-I256 HydrophobicContact CB-CD1 3.54Å; A253-I256 HydrophobicContact CB-CG1 3.86Å; A253-I256 WeakPolarHBondContact O-CA 3.46Å; A253-I256 PolarHBondContact O-N 2.72Å; A253-Y257 HydrophobicContact CB-CD2 3.65Å; A253-Y257 HydrophobicContact CB-CE2 3.41Å; A253-Y257 VanDerWaalsContact CB-CE2 3.41Å; A253-Y257 WeakPolarHBondContact O-CD2 3.33Å; A253-Y257 PolarHBondContact O-N 3.01Å; A253-I335 HydrophobicContact CB-CG2 4.27Å; A253-I339 HydrophobicContact CB-CD1 3.74Å | ||
| 254 | S | 86.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -43.8 | -26.9 | 161.9 | -80.6 | 0 | 0 | 0 | 0 | 114.5 | D187 T248 D252 G258 N259 | D187-S254 WeakPolarHBondContact OD1-CA 3.27Å; D187-S254 PolarHBondContact OD1-N 2.97Å; T248-S254 VanDerWaalsContact CG2-OG 3.26Å; T248-S254 WeakPolarHBondContact CG2-OG 3.28Å; T248-S254 PolarHBondContact OG1-OG 3.39Å; D252-S254 VanDerWaalsContact C-N 3.29Å; D252-S254 PolarHBondContact O-N 3.37Å; D252-S254 VanDerWaalsContact OD1-CB 3.25Å; D252-S254 WeakPolarHBondContact OD1-CB 3.49Å; D252-S254 PolarHBondContact OD1-N 3.1Å; D252-S254 PolarHBondContact OD1-OG 3.19Å; S254-G258 CarbonylContact O-C 3.3Å; S254-G258 VanDerWaalsContact O-C 3.3Å; S254-G258 WeakPolarHBondContact O-CA 3.43Å; S254-G258 PolarHBondContact O-N 3.12Å; S254-N259 VanDerWaalsContact CB-OD1 3.28Å; S254-N259 WeakPolarHBondContact CB-OD1 3.34Å; S254-N259 PolarHBondContact OG-OD1 3.1Å |
| 255 | M | 80.7 | Confident | 86.2 | Confident | 5 Ų | 5 | 15.7 Ų | 15.7 | 3% | 0.025 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -84 | -18 | 174 | -72.7 | -67 | 159.7 | 0 | 0 | 115.4 | D186 D187 A253 V288 Y301 | D186-M255 HydrophobicContact CB-CE 4.1Å; D186-M255 HydrophobicContact CB-CG 3.87Å; D186-M255 HydrophobicContact CB-SD 4.2Å; D186-M255 WeakPolarHBondContact O-CE 3.4Å; D187-M255 PolarHBondContact OD1-N 3.4Å; A253-M255 PolarHBondContact O-N 3.45Å; M255-V288 HydrophobicContact SD-CG1 3.82Å; M255-Y301 HydrophobicContact CB-CD1 4.4Å; M255-Y301 HydrophobicContact CB-CE1 3.39Å; M255-Y301 WeakPolarHBondContact CB-OH 3.41Å; M255-Y301 HydrophobicContact CG-CE1 4.39Å |
| 256 | I | 86.2 | Confident | 85.7 | Confident | 7 Ų | 7 | 20 Ų | 20 | 4% | 0.036 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -88.1 | -39.1 | 169.1 | -52.2 | 175.2 | 0 | 0 | 0 | 110.4 | F183 A253 L267 W304 V305 I335 I339 | F183-I256 HydrophobicContact CZ-CD1 4.42Å; A253-I256 HydrophobicContact CB-CB 4.1Å; A253-I256 HydrophobicContact CB-CD1 3.54Å; A253-I256 HydrophobicContact CB-CG1 3.86Å; A253-I256 WeakPolarHBondContact O-CA 3.46Å; A253-I256 PolarHBondContact O-N 2.72Å; I256-L267 WeakPolarHBondContact O-CD1 3.48Å; I256-W304 HydrophobicContact CD1-CB 3.51Å; I256-W304 HydrophobicContact CD1-CG 4.1Å; I256-W304 HydrophobicContact CG1-CB 4.25Å; I256-V305 HydrophobicContact CG2-CG2 3.95Å; I256-I335 HydrophobicContact CD1-CG2 3.84Å; I256-I339 HydrophobicContact CD1-CD1 4.04Å |
| 257 | Y | 88.6 | Confident | 85.4 | Confident | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.008 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -105.6 | -9.6 | -168.5 | -55.4 | -57.3 | 0 | 0 | 0 | 114.4 | A253 A264 V275 H308 F328 R332 I335 | A253-Y257 HydrophobicContact CB-CD2 3.65Å; A253-Y257 HydrophobicContact CB-CE2 3.41Å; A253-Y257 VanDerWaalsContact CB-CE2 3.41Å; A253-Y257 WeakPolarHBondContact O-CD2 3.33Å; A253-Y257 PolarHBondContact O-N 3.01Å; Y257-A264 WeakPolarHBondContact O-CA 3.24Å; Y257-A264 WeakPolarHBondContact O-CB 3.13Å; Y257-A264 PolarHBondContact O-N 3.41Å; Y257-V275 HydrophobicContact CD1-CG2 4.47Å; Y257-V275 HydrophobicContact CE1-CG2 4.33Å; Y257-H308 AromaticContact CE1-CE1 3.59Å; Y257-H308 AromaticContact CE1-ND1 3.28Å; Y257-H308 VanDerWaalsContact CE1-ND1 3.28Å; Y257-H308 WeakPolarHBondContact CE1-ND1 3.19Å; Y257-H308 AromaticContact CZ-ND1 3.47Å; Y257-H308 PolarHBondContact OH-ND1 3.01Å; Y257-F328 AromaticContact CD1-CE2 3.76Å; Y257-F328 HydrophobicContact CD1-CE2 3.76Å; Y257-F328 AromaticContact CD1-CZ 3.59Å; Y257-F328 HydrophobicContact CD1-CZ 3.59Å; Y257-F328 AromaticContact CE1-CE2 4Å; Y257-F328 HydrophobicContact CE1-CE2 4Å; Y257-F328 HydrophobicContact CE1-CZ 4.14Å; Y257-F328 HydrophobicContact CG-CZ 4.25Å; Y257-R332 HydrophobicContact CD2-CB 4.27Å; Y257-R332 HydrophobicContact CD2-CG 3.58Å; Y257-R332 HydrophobicContact CE1-CB 4.31Å; Y257-R332 HydrophobicContact CE2-CB 3.83Å; Y257-R332 HydrophobicContact CE2-CG 3.46Å; Y257-R332 VanDerWaalsContact CE2-CG 3.46Å; Y257-R332 HydrophobicContact CG-CG 4.23Å; Y257-I335 HydrophobicContact CE2-CG2 4.28Å; Y257-I335 VanDerWaalsContact OH-CB 3.29Å; Y257-I335 WeakPolarHBondContact OH-CB 3.41Å; Y257-I335 WeakPolarHBondContact OH-CG1 3.15Å; Y257-I335 VanDerWaalsContact OH-CG2 3.3Å; Y257-I335 WeakPolarHBondContact OH-CG2 3.4Å |
| 258 | G | 83.7 | Confident | 85.3 | Confident | 2 Ų | 2 | 20.4 Ų | 20.4 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | trans | 80.5 | 154.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S254 D260 T263 | S254-G258 CarbonylContact O-C 3.3Å; S254-G258 VanDerWaalsContact O-C 3.3Å; S254-G258 WeakPolarHBondContact O-CA 3.43Å; S254-G258 PolarHBondContact O-N 3.12Å; G258-D260 VanDerWaalsContact C-N 3.31Å; G258-D260 PolarHBondContact O-N 3.44Å; G258-T263 VanDerWaalsContact CA-CG2 3.49Å | ||
| 259 | N | 85.3 | Confident | 85.2 | Confident | 17 Ų | 17 | 21.8 Ų | 21.8 | 9% | 0.091 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -88.3 | 7 | -176.4 | -77.8 | -77.9 | 0 | 0 | 0 | 113.8 | F108 V123 A247 T248 S254 | F108-N259 CarbonylContact O-C 3.58Å; F108-N259 WeakPolarHBondContact O-CA 3.19Å; F108-N259 VanDerWaalsContact O-O 3.13Å; V123-N259 HydrophobicContact CG1-CB 3.95Å; A247-N259 WeakPolarHBondContact CA-OD1 3.2Å; T248-N259 PolarHBondContact N-OD1 2.96Å; S254-N259 VanDerWaalsContact CB-OD1 3.28Å; S254-N259 WeakPolarHBondContact CB-OD1 3.34Å; S254-N259 PolarHBondContact OG-OD1 3.1Å |
| 260 | D | 80.7 | Confident | 85 | Confident | 25 Ų | 25 | 28 Ų | 28 | 13% | 0.134 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -157 | 157.6 | 177 | 74.2 | 82.7 | 0 | 0 | 0 | 110.5 | G258 K262 T263 A264 | G258-D260 VanDerWaalsContact C-N 3.31Å; G258-D260 PolarHBondContact O-N 3.44Å; D260-K262 PolarHBondContact O-N 3.32Å; D260-K262 VanDerWaalsContact OD1-CA 3.31Å; D260-K262 WeakPolarHBondContact OD1-CA 3.34Å; D260-K262 VanDerWaalsContact OD1-CB 3.24Å; D260-K262 WeakPolarHBondContact OD1-CB 3.24Å; D260-K262 PolarHBondContact OD1-N 3.25Å; D260-T263 PolarHBondContact O-N 3.32Å; D260-T263 PolarHBondContact OD1-N 2.9Å; D260-T263 WeakPolarHBondContact OD2-CB 3.16Å; D260-T263 PolarHBondContact OD2-OG1 2.88Å; D260-A264 PolarHBondContact O-N 3.22Å |
| 261 | G | 79.1 | Confident | 85 | Confident | 41 Ų | 41 | 34.7 Ų | 34.7 | 42% | 0.423 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.3 | -21.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | A265 | G261-A265 WeakPolarHBondContact O-CB 3.24Å; G261-A265 PolarHBondContact O-N 2.76Å |
| 262 | K | 79.1 | Confident | 85 | Confident | 150 Ų | 150 | 37.2 Ų | 37.2 | 65% | 0.652 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -81.6 | -39.5 | 175.4 | -175.8 | -171.7 | 173.6 | -171.9 | 0 | 111 | D260 A265 L266 | D260-K262 PolarHBondContact O-N 3.32Å; D260-K262 VanDerWaalsContact OD1-CA 3.31Å; D260-K262 WeakPolarHBondContact OD1-CA 3.34Å; D260-K262 VanDerWaalsContact OD1-CB 3.24Å; D260-K262 WeakPolarHBondContact OD1-CB 3.24Å; D260-K262 PolarHBondContact OD1-N 3.25Å; K262-A265 PolarHBondContact O-N 3.16Å; K262-L266 WeakPolarHBondContact O-CG 3.46Å; K262-L266 PolarHBondContact O-N 3.22Å |
| 263 | T | 79.1 | Confident | 85.1 | Confident | 26 Ų | 26 | 37 Ų | 37 | 16% | 0.16 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.4 | -47.7 | 170.8 | -62.2 | 0 | 0 | 0 | 0 | 109.6 | G258 D260 A265 L266 L267 V287 | G258-T263 VanDerWaalsContact CA-CG2 3.49Å; D260-T263 PolarHBondContact O-N 3.32Å; D260-T263 PolarHBondContact OD1-N 2.9Å; D260-T263 WeakPolarHBondContact OD2-CB 3.16Å; D260-T263 PolarHBondContact OD2-OG1 2.88Å; T263-A265 VanDerWaalsContact C-N 3.33Å; T263-A265 PolarHBondContact O-N 2.83Å; T263-L266 PolarHBondContact O-N 3.5Å; T263-L267 HydrophobicContact CG2-CD1 4.23Å; T263-L267 WeakPolarHBondContact O-CG 3.25Å; T263-L267 PolarHBondContact O-N 2.96Å; T263-V287 HydrophobicContact CG2-CG1 3.59Å |
| 264 | A | 84.2 | Confident | 85.1 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 2% | 0.017 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.1 | -42.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | F108 Y257 D260 L266 L267 R268 | F108-A264 HydrophobicContact CD1-CB 3.57Å; F108-A264 HydrophobicContact CD2-CB 4.08Å; F108-A264 HydrophobicContact CE1-CB 3.39Å; F108-A264 HydrophobicContact CE2-CB 3.92Å; F108-A264 HydrophobicContact CG-CB 3.91Å; F108-A264 HydrophobicContact CZ-CB 3.57Å; Y257-A264 WeakPolarHBondContact O-CA 3.24Å; Y257-A264 WeakPolarHBondContact O-CB 3.13Å; Y257-A264 PolarHBondContact O-N 3.41Å; D260-A264 PolarHBondContact O-N 3.22Å; A264-L266 PolarHBondContact O-N 2.65Å; A264-L267 PolarHBondContact O-N 3.49Å; A264-L267 VanDerWaalsContact O-N 3.15Å; A264-R268 PolarHBondContact O-N 3.39Å |
| 265 | A | 83.7 | Confident | 85.2 | Confident | 36 Ų | 36 | 39.4 Ų | 39.4 | 30% | 0.298 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.9 | -20 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | G261 K262 T263 Y270 | G261-A265 WeakPolarHBondContact O-CB 3.24Å; G261-A265 PolarHBondContact O-N 2.76Å; K262-A265 PolarHBondContact O-N 3.16Å; T263-A265 VanDerWaalsContact C-N 3.33Å; T263-A265 PolarHBondContact O-N 2.83Å; A265-Y270 VanDerWaalsContact CA-OH 3.26Å; A265-Y270 WeakPolarHBondContact CA-OH 3.38Å; A265-Y270 WeakPolarHBondContact CB-OH 3.34Å; A265-Y270 WeakPolarHBondContact O-CE2 3.13Å |
| 266 | L | 80.9 | Confident | 85.3 | Confident | 93 Ų | 93 | 45.1 Ų | 45.1 | 49% | 0.487 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -89.4 | -17.3 | 175 | -69.4 | 169 | 0 | 0 | 0 | 113.1 | K262 T263 A264 V287 | K262-L266 WeakPolarHBondContact O-CG 3.46Å; K262-L266 PolarHBondContact O-N 3.22Å; T263-L266 PolarHBondContact O-N 3.5Å; A264-L266 PolarHBondContact O-N 2.65Å; L266-V287 HydrophobicContact CB-CG1 4.31Å; L266-V287 HydrophobicContact CB-CG2 4.18Å; L266-V287 HydrophobicContact CD1-CG2 4.17Å |
| 267 | L | 83.5 | Confident | 84.4 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -93.1 | -25.7 | -178.8 | -60.5 | 169.9 | 0 | 0 | 0 | 112.1 | I256 T263 A264 V275 Y276 H284 V287 V288 | I256-L267 WeakPolarHBondContact O-CD1 3.48Å; T263-L267 HydrophobicContact CG2-CD1 4.23Å; T263-L267 WeakPolarHBondContact O-CG 3.25Å; T263-L267 PolarHBondContact O-N 2.96Å; A264-L267 PolarHBondContact O-N 3.49Å; A264-L267 VanDerWaalsContact O-N 3.15Å; L267-V275 HydrophobicContact CB-CG1 4.37Å; L267-V275 WeakPolarHBondContact O-CG1 3.46Å; L267-Y276 WeakPolarHBondContact O-CD2 3.41Å; L267-Y276 PolarHBondContact O-N 3.15Å; L267-H284 WeakPolarHBondContact CD2-CE1 3.39Å; L267-H284 WeakPolarHBondContact CD2-NE2 3.49Å; L267-V287 HydrophobicContact CD1-CG1 4.38Å; L267-V287 HydrophobicContact CD2-CB 4.19Å; L267-V287 HydrophobicContact CD2-CG1 3.72Å; L267-V287 HydrophobicContact CG-CG1 3.98Å; L267-V288 HydrophobicContact CD1-CG2 4.05Å; L267-V288 HydrophobicContact CD2-CG2 4.21Å |
| 268 | R | 86.9 | Confident | 82.9 | Confident | 12 Ų | 12 | 56.9 Ų | 56.9 | 5% | 0.045 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | -78.9 | 141.3 | -178.9 | -75.4 | 173.6 | 66.4 | 176.1 | -4.9 | 113.6 | A264 Y270 V275 Y276 D324 E325 F328 | A264-R268 PolarHBondContact O-N 3.39Å; R268-Y270 VanDerWaalsContact C-N 3.34Å; R268-Y270 HydrophobicContact CB-CD2 4.26Å; R268-Y270 HydrophobicContact CB-CE2 4.13Å; R268-V275 HydrophobicContact CG-CG2 4.42Å; R268-Y276 WeakPolarHBondContact O-CE2 3.38Å; R268-D324 IonicContact CZ-OD2 3.45Å; R268-D324 IonicContact NE-OD2 3.19Å; R268-D324 IonicContact NH2-OD2 3.11Å; R268-D324 PolarHBondContact NH2-OD2 3.39Å; R268-E325 IonicContact CZ-OE2 3.58Å; R268-E325 IonicContact NH1-OE1 2.69Å; R268-E325 IonicContact NH1-OE2 3.84Å; R268-E325 PolarHBondContact NH1-OE2 3.23Å; R268-E325 IonicContact NH2-OE2 3.48Å; R268-E325 PolarHBondContact NH2-OE2 3.4Å; R268-F328 HydrophobicContact CG-CD2 3.71Å; R268-F328 HydrophobicContact CG-CE2 3.52Å; R268-F328 HydrophobicContact CG-CG 4.43Å; R268-F328 HydrophobicContact CG-CZ 4.13Å |
| 269 | S | 87.2 | Confident | 81.2 | Confident | 29 Ų | 29 | 61.4 Ų | 61.4 | 20% | 0.203 | 30% | 0.303 | C | S | . | . | trans | -79.2 | -15.3 | 172.2 | 69.9 | 0 | 0 | 0 | 0 | 114.3 | K271 K274 | S269-K271 PolarHBondContact O-N 2.97Å; S269-K271 PolarHBondContact OG-N 3.14Å; S269-K271 PolarHBondContact OG-O 2.99Å; S269-K274 WeakPolarHBondContact CB-O 3.06Å; S269-K274 PolarHBondContact N-O 2.78Å; S269-K274 PolarHBondContact OG-O 2.6Å | ||
| 270 | Y | 88.4 | Confident | 79 | Confident | 133 Ų | 133 | 67.4 Ų | 67.4 | 52% | 0.522 | 34% | 0.335 | S | S | . | . | S | Bend | trans | 53.1 | 30.7 | -170.1 | -63.7 | -82.3 | 0 | 0 | 0 | 114.1 | A265 R268 D324 | A265-Y270 VanDerWaalsContact CA-OH 3.26Å; A265-Y270 WeakPolarHBondContact CA-OH 3.38Å; A265-Y270 WeakPolarHBondContact CB-OH 3.34Å; A265-Y270 WeakPolarHBondContact O-CE2 3.13Å; R268-Y270 VanDerWaalsContact C-N 3.34Å; R268-Y270 HydrophobicContact CB-CD2 4.26Å; R268-Y270 HydrophobicContact CB-CE2 4.13Å; Y270-D324 WeakPolarHBondContact CA-OD2 3.2Å |
| 271 | K | 89.6 | Confident | 77.2 | Confident | 141 Ų | 141 | 74.4 Ų | 74.4 | 61% | 0.613 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -135.2 | 127.2 | 174.3 | -175.7 | -178.1 | 174.6 | -171.1 | 0 | 110.7 | S269 G273 K274 D324 | S269-K271 PolarHBondContact O-N 2.97Å; S269-K271 PolarHBondContact OG-N 3.14Å; S269-K271 PolarHBondContact OG-O 2.99Å; K271-G273 PolarHBondContact O-N 3.33Å; K271-K274 WeakPolarHBondContact O-CB 3.33Å; K271-K274 PolarHBondContact O-N 2.91Å; K271-D324 WeakPolarHBondContact CA-OD1 3.24Å; K271-D324 PolarHBondContact N-OD1 3.49Å |
| 272 | D | 91.4 | Very high | 75.7 | Confident | 53 Ų | 53 | 76.6 Ų | 76.6 | 28% | 0.283 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 27.9 | 175.4 | -54.4 | -46.8 | 0 | 0 | 0 | 114.2 | K274 K316 D324 | D272-K274 VanDerWaalsContact C-N 3.31Å; D272-K274 PolarHBondContact O-N 2.95Å; D272-K316 HydrophobicContact CB-CG 4.4Å; D272-D324 PolarHBondContact N-OD1 3.45Å |
| 273 | G | 90.9 | Very high | 74.3 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 4.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | K271 H308 D324 F328 | K271-G273 PolarHBondContact O-N 3.33Å; G273-H308 PolarHBondContact O-NE2 2.64Å; G273-D324 WeakPolarHBondContact CA-O 3.31Å; G273-D324 VanDerWaalsContact CA-OD1 3.25Å; G273-D324 WeakPolarHBondContact CA-OD1 3.31Å; G273-D324 PolarHBondContact N-OD1 3.38Å; G273-F328 WeakPolarHBondContact O-CD2 3.49Å |
| 274 | K | 92.3 | Very high | 72.8 | Confident | 47 Ų | 47 | 77.9 Ų | 77.9 | 20% | 0.204 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -83.3 | 153.3 | -164.8 | -65.9 | -178.4 | 179.2 | -179.6 | 0 | 114.9 | S269 K271 D272 N309 A312 E313 | S269-K274 WeakPolarHBondContact CB-O 3.06Å; S269-K274 PolarHBondContact N-O 2.78Å; S269-K274 PolarHBondContact OG-O 2.6Å; K271-K274 WeakPolarHBondContact O-CB 3.33Å; K271-K274 PolarHBondContact O-N 2.91Å; D272-K274 VanDerWaalsContact C-N 3.31Å; D272-K274 PolarHBondContact O-N 2.95Å; K274-N309 WeakPolarHBondContact CA-OD1 3.42Å; K274-N309 VanDerWaalsContact CB-OD1 3.25Å; K274-N309 WeakPolarHBondContact CB-OD1 3.33Å; K274-N309 HydrophobicContact CD-CB 4.5Å; K274-N309 HydrophobicContact CG-CB 4.4Å; K274-A312 HydrophobicContact CG-CB 4.21Å; K274-E313 IonicContact NZ-OE1 3.14Å; K274-E313 PolarHBondContact NZ-OE1 2.91Å |
| 275 | V | 88.7 | Confident | 70.9 | Confident | 3 Ų | 3 | 80.4 Ų | 80.4 | 2% | 0.018 | 39% | 0.39 | C | S | . | . | B | Isolated β-bridge | trans | -102.1 | 143.4 | 172.9 | 171.8 | 0 | 0 | 0 | 0 | 109.6 | Y257 L267 R268 V305 N309 F328 | Y257-V275 HydrophobicContact CD1-CG2 4.47Å; Y257-V275 HydrophobicContact CE1-CG2 4.33Å; L267-V275 HydrophobicContact CB-CG1 4.37Å; L267-V275 WeakPolarHBondContact O-CG1 3.46Å; R268-V275 HydrophobicContact CG-CG2 4.42Å; V275-V305 HydrophobicContact CB-CG1 4.11Å; V275-V305 HydrophobicContact CG1-CG1 3.82Å; V275-V305 HydrophobicContact CG1-CG2 4.31Å; V275-N309 PolarHBondContact N-OD1 3.32Å; V275-N309 PolarHBondContact O-ND2 2.76Å; V275-N309 PolarHBondContact O-OD1 2.94Å; V275-F328 HydrophobicContact CG2-CD2 4.24Å; V275-F328 HydrophobicContact CG2-CE2 3.73Å |
| 276 | Y | 80.9 | Confident | 69.2 | Low | 125 Ų | 125 | 87.3 Ų | 87.3 | 49% | 0.49 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 141.3 | 177.5 | -67.5 | -68.5 | 0 | 0 | 0 | 111.5 | L267 R268 H284 | L267-Y276 WeakPolarHBondContact O-CD2 3.41Å; L267-Y276 PolarHBondContact O-N 3.15Å; R268-Y276 WeakPolarHBondContact O-CE2 3.38Å; Y276-H284 PolarHBondContact O-NE2 2.79Å; Y276-H284 VanDerWaalsContact O-NE2 3.17Å |
| 277 | Y | 69.2 | Low | 67.8 | Low | 121 Ų | 121 | 84.7 Ų | 84.7 | 48% | 0.475 | 40% | 0.396 | S | S | . | . | trans | -131.4 | -3.4 | 174.2 | 68.5 | -85.5 | 0 | 0 | 0 | 113.5 | L306 N309 | Y277-L306 HydrophobicContact CD2-CD2 4.14Å; Y277-L306 HydrophobicContact CE2-CD2 4.47Å; Y277-L306 HydrophobicContact CG-CD2 4.3Å; Y277-N309 WeakPolarHBondContact CD1-ND2 3.49Å | ||
| 278 | E | 57 | Low | 66.4 | Low | 135 Ų | 135 | 85.3 Ų | 85.3 | 63% | 0.631 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -97.4 | 158.2 | -168.1 | -67.2 | -168.1 | 152.3 | 0 | 0 | 113.8 | D280 | E278-D280 PolarHBondContact O-N 3.3Š|
| 279 | T | 46.3 | Very low | 64.9 | Low | 97 Ų | 97 | 85.4 Ų | 85.4 | 60% | 0.595 | 40% | 0.402 | S | S | * | . | trans | -77.1 | 29 | -165.4 | 44 | 0 | 0 | 0 | 0 | 114.8 | K281 Y423 | T279-K281 PolarHBondContact O-N 2.61Å; T279-Y423 HydrophobicContact CG2-CD1 4.12Å; T279-Y423 HydrophobicContact CG2-CE1 3.47Å; T279-Y423 VanDerWaalsContact CG2-CE1 3.47Å | ||
| 280 | D | 40.2 | Very low | 63.7 | Low | 143 Ų | 143 | 84.3 Ų | 84.3 | 77% | 0.765 | 39% | 0.394 | S | S | * | . | trans | -71.3 | 130.5 | 174 | -157.5 | 1.5 | 0 | 0 | 0 | 110.5 | E278 | E278-D280 PolarHBondContact O-N 3.3Š| ||
| 281 | K | 41.6 | Very low | 62.5 | Low | 173 Ų | 173 | 79.3 Ų | 79.3 | 75% | 0.752 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | 151.9 | -150.5 | -69.7 | 173.4 | -179.2 | 174.6 | 0 | 111.6 | T279 H283 | T279-K281 PolarHBondContact O-N 2.61Å; K281-H283 VanDerWaalsContact C-N 3.26Å; K281-H283 PolarHBondContact O-N 2.88Å; K281-H283 VanDerWaalsContact O-N 3.08Å; K281-H283 PolarHBondContact O-ND1 2.93Å |
| 282 | D | 49.1 | Very low | 61.3 | Low | 87 Ų | 87 | 74.4 Ų | 74.4 | 47% | 0.465 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | -12.7 | 176.9 | -93.7 | -40.8 | 0 | 0 | 0 | 119 | R286 | D282-R286 WeakPolarHBondContact O-CD 3.31Å; D282-R286 WeakPolarHBondContact O-CG 3.41Å; D282-R286 PolarHBondContact O-NE 3.47Å; D282-R286 IonicContact OD1-CZ 2.76Å; D282-R286 IonicContact OD1-NE 3.14Å; D282-R286 PolarHBondContact OD1-NE 3.31Å; D282-R286 IonicContact OD1-NH2 2.77Å; D282-R286 PolarHBondContact OD1-NH2 3Å; D282-R286 IonicContact OD2-CZ 2.74Å; D282-R286 IonicContact OD2-NH2 3.12Å; D282-R286 PolarHBondContact OD2-NH2 3.01Å |
| 283 | H | 48.9 | Very low | 60.1 | Low | 133 Ų | 133 | 72 Ų | 72 | 62% | 0.616 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -83.4 | -65.2 | -167.4 | -77.4 | 74 | 0 | 0 | 0 | 115.1 | K281 S285 R286 V287 | K281-H283 VanDerWaalsContact C-N 3.26Å; K281-H283 PolarHBondContact O-N 2.88Å; K281-H283 VanDerWaalsContact O-N 3.08Å; K281-H283 PolarHBondContact O-ND1 2.93Å; H283-S285 PolarHBondContact O-N 3.01Å; H283-R286 PolarHBondContact O-N 2.88Å; H283-V287 WeakPolarHBondContact O-CG2 3.43Å |
| 284 | H | 46.7 | Very low | 59 | Low | 69 Ų | 69 | 72 Ų | 72 | 32% | 0.319 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -61.6 | -41.1 | -174.7 | -106.2 | 50.2 | 0 | 0 | 0 | 113.6 | L267 Y276 R286 V287 | L267-H284 WeakPolarHBondContact CD2-CE1 3.39Å; L267-H284 WeakPolarHBondContact CD2-NE2 3.49Å; Y276-H284 PolarHBondContact O-NE2 2.79Å; Y276-H284 VanDerWaalsContact O-NE2 3.17Å; H284-R286 PolarHBondContact O-N 2.93Å; H284-R286 VanDerWaalsContact O-N 3.13Å; H284-V287 PolarHBondContact O-N 2.74Å |
| 285 | S | 46.2 | Very low | 57.7 | Low | 56 Ų | 56 | 69.9 Ų | 69.9 | 39% | 0.392 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -63.2 | -18.4 | -179.4 | 56.5 | 0 | 0 | 0 | 0 | 114.6 | H283 N292 | H283-S285 PolarHBondContact O-N 3.01Å; S285-N292 WeakPolarHBondContact CB-ND2 3.11Å |
| 286 | R | 47.3 | Very low | 56.8 | Low | 180 Ų | 180 | 70.6 Ų | 70.6 | 68% | 0.679 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -91.7 | -11.4 | 176 | -68.7 | -180 | -175.6 | -175.4 | -6.7 | 113.7 | D282 H283 H284 | D282-R286 WeakPolarHBondContact O-CD 3.31Å; D282-R286 WeakPolarHBondContact O-CG 3.41Å; D282-R286 PolarHBondContact O-NE 3.47Å; D282-R286 IonicContact OD1-CZ 2.76Å; D282-R286 IonicContact OD1-NE 3.14Å; D282-R286 PolarHBondContact OD1-NE 3.31Å; D282-R286 IonicContact OD1-NH2 2.77Å; D282-R286 PolarHBondContact OD1-NH2 3Å; D282-R286 IonicContact OD2-CZ 2.74Å; D282-R286 IonicContact OD2-NH2 3.12Å; D282-R286 PolarHBondContact OD2-NH2 3.01Å; H283-R286 PolarHBondContact O-N 2.88Å; H284-R286 PolarHBondContact O-N 2.93Å; H284-R286 VanDerWaalsContact O-N 3.13Å |
| 287 | V | 50.8 | Low | 56.4 | Low | 39 Ų | 39 | 64.7 Ų | 64.7 | 24% | 0.236 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -39.1 | -169.8 | 176.2 | 0 | 0 | 0 | 0 | 112.1 | T263 L266 L267 H283 H284 | T263-V287 HydrophobicContact CG2-CG1 3.59Å; L266-V287 HydrophobicContact CB-CG1 4.31Å; L266-V287 HydrophobicContact CB-CG2 4.18Å; L266-V287 HydrophobicContact CD1-CG2 4.17Å; L267-V287 HydrophobicContact CD1-CG1 4.38Å; L267-V287 HydrophobicContact CD2-CB 4.19Å; L267-V287 HydrophobicContact CD2-CG1 3.72Å; L267-V287 HydrophobicContact CG-CG1 3.98Å; H283-V287 WeakPolarHBondContact O-CG2 3.43Å; H284-V287 PolarHBondContact O-N 2.74Å |
| 288 | V | 55.4 | Low | 56.4 | Low | 16 Ų | 16 | 59.1 Ų | 59.1 | 10% | 0.097 | 30% | 0.297 | C | S | . | . | trans | -123.3 | 100.4 | 179.5 | -166 | 0 | 0 | 0 | 0 | 110.7 | M255 L267 N290 V291 | M255-V288 HydrophobicContact SD-CG1 3.82Å; L267-V288 HydrophobicContact CD1-CG2 4.05Å; L267-V288 HydrophobicContact CD2-CG2 4.21Å; V288-N290 VanDerWaalsContact C-N 3.25Å; V288-N290 PolarHBondContact O-N 2.87Å; V288-N290 VanDerWaalsContact O-N 3.07Å; V288-V291 HydrophobicContact CB-CG2 3.63Å; V288-V291 HydrophobicContact CG1-CG2 3.61Å; V288-V291 PolarHBondContact O-N 2.82Å | ||
| 289 | S | 54.3 | Low | 57.3 | Low | 13 Ų | 13 | 53.3 Ų | 53.3 | 9% | 0.091 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -19.8 | -165.4 | 55.1 | 0 | 0 | 0 | 0 | 117.3 | T39 K190 Y417 | T39-S289 WeakPolarHBondContact O-CB 3.39Å; K190-S289 WeakPolarHBondContact CE-OG 3Å; K190-S289 PolarHBondContact NZ-OG 3.45Å; S289-Y417 PolarHBondContact O-OH 3.35Å |
| 290 | N | 62.6 | Low | 58.9 | Low | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.032 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -14.9 | -170.6 | -62.2 | 25 | 0 | 0 | 0 | 112.2 | D186 V288 N292 L293 | D186-N290 PolarHBondContact OD1-ND2 2.91Å; V288-N290 VanDerWaalsContact C-N 3.25Å; V288-N290 PolarHBondContact O-N 2.87Å; V288-N290 VanDerWaalsContact O-N 3.07Å; N290-N292 VanDerWaalsContact C-N 3.28Å; N290-N292 PolarHBondContact O-N 3.08Å; N290-L293 VanDerWaalsContact O-CB 3.3Å; N290-L293 WeakPolarHBondContact O-CB 3.5Å; N290-L293 PolarHBondContact O-N 3.43Å |
| 291 | V | 63.8 | Low | 60.9 | Low | 29 Ų | 29 | 42.7 Ų | 42.7 | 18% | 0.176 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -44.4 | -177.6 | 171.2 | 0 | 0 | 0 | 0 | 111.8 | V288 L293 A298 Y301 | V288-V291 HydrophobicContact CB-CG2 3.63Å; V288-V291 HydrophobicContact CG1-CG2 3.61Å; V288-V291 PolarHBondContact O-N 2.82Å; V291-L293 VanDerWaalsContact C-N 3.33Å; V291-L293 PolarHBondContact O-N 3.42Å; V291-A298 HydrophobicContact CG1-CB 4.37Å; V291-A298 WeakPolarHBondContact O-CA 2.99Å; V291-A298 WeakPolarHBondContact O-CB 3.36Å; V291-A298 PolarHBondContact O-N 3.35Å; V291-A298 VanDerWaalsContact O-N 3.12Å; V291-Y301 HydrophobicContact CB-CD2 3.88Å; V291-Y301 HydrophobicContact CB-CE2 4.24Å; V291-Y301 HydrophobicContact CG1-CD2 3.82Å; V291-Y301 HydrophobicContact CG1-CG 4.38Å; V291-Y301 HydrophobicContact CG2-CD2 3.61Å; V291-Y301 HydrophobicContact CG2-CE2 3.83Å; V291-Y301 HydrophobicContact CG2-CG 4.15Å |
| 292 | N | 64 | Low | 62.7 | Low | 38 Ų | 38 | 37.1 Ų | 37.1 | 20% | 0.203 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 10.3 | -176.8 | -65.8 | -0.6 | 0 | 0 | 0 | 113.6 | S285 N290 T294 Y417 | S285-N292 WeakPolarHBondContact CB-ND2 3.11Å; N290-N292 VanDerWaalsContact C-N 3.28Å; N290-N292 PolarHBondContact O-N 3.08Å; N292-T294 PolarHBondContact O-N 3.39Å; N292-Y417 HydrophobicContact CB-CD1 4.2Å; N292-Y417 VanDerWaalsContact O-CA 3.24Å; N292-Y417 WeakPolarHBondContact O-CA 3.33Å; N292-Y417 PolarHBondContact O-N 2.03Å |
| 293 | L | 65.7 | Low | 64.6 | Low | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -58.6 | -40.4 | -176.6 | -175.3 | 66.3 | 0 | 0 | 0 | 111.7 | Y40 N290 V291 F416 Y417 F442 | Y40-L293 HydrophobicContact CD2-CD1 4.07Å; Y40-L293 HydrophobicContact CE2-CD1 4.07Å; Y40-L293 HydrophobicContact CE2-CD2 4.01Å; N290-L293 VanDerWaalsContact O-CB 3.3Å; N290-L293 WeakPolarHBondContact O-CB 3.5Å; N290-L293 PolarHBondContact O-N 3.43Å; V291-L293 VanDerWaalsContact C-N 3.33Å; V291-L293 PolarHBondContact O-N 3.42Å; L293-F416 WeakPolarHBondContact O-CA 3.16Å; L293-Y417 HydrophobicContact CD1-CD2 4.28Å; L293-Y417 HydrophobicContact CD1-CE2 3.55Å; L293-Y417 PolarHBondContact O-N 3.01Å; L293-F442 HydrophobicContact CD1-CE2 4.03Å; L293-F442 HydrophobicContact CD1-CZ 4.21Å |
| 294 | T | 67.5 | Low | 66.5 | Low | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.012 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -139.6 | 153.3 | 177.2 | 64.7 | 0 | 0 | 0 | 0 | 109.5 | N292 T296 Q297 A298 F412 F416 | N292-T294 PolarHBondContact O-N 3.39Å; T294-T296 VanDerWaalsContact C-N 3.27Å; T294-T296 PolarHBondContact O-N 3.12Å; T294-T296 PolarHBondContact OG1-OG1 3.33Å; T294-Q297 PolarHBondContact O-N 3.14Å; T294-Q297 WeakPolarHBondContact OG1-CB 3.42Å; T294-Q297 PolarHBondContact OG1-N 3.09Å; T294-Q297 VanDerWaalsContact OG1-N 3.14Å; T294-A298 PolarHBondContact O-N 3.06Å; T294-A298 VanDerWaalsContact O-N 3.15Å; T294-F412 HydrophobicContact CG2-CE1 3.52Å; T294-F412 HydrophobicContact CG2-CZ 3.5Å; T294-F416 HydrophobicContact CG2-CD1 4.16Å; T294-F416 HydrophobicContact CG2-CE1 4.23Å |
| 295 | P | 65.5 | Low | 68.5 | Low | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.7 | -37.4 | 176.9 | -23 | 33.9 | 0 | 0 | 0 | 112.2 | Q297 A298 A299 T415 I421 L422 | P295-Q297 PolarHBondContact O-N 3.11Å; P295-A298 PolarHBondContact O-N 3.28Å; P295-A299 VanDerWaalsContact O-CB 3.3Å; P295-A299 WeakPolarHBondContact O-CB 3.41Å; P295-A299 PolarHBondContact O-N 2.77Å; P295-T415 WeakPolarHBondContact CD-OG1 3.45Å; P295-I421 HydrophobicContact CG-CD1 4.43Å; P295-L422 HydrophobicContact CB-CD2 3.71Å; P295-L422 HydrophobicContact CB-CG 3.98Å |
| 296 | T | 69.5 | Low | 70.6 | Confident | 19 Ų | 19 | 23.9 Ų | 23.9 | 12% | 0.117 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.6 | -41.2 | 175.4 | 31 | 0 | 0 | 0 | 0 | 113.5 | Q179 T294 A299 L300 V431 | Q179-T296 VanDerWaalsContact CD-OG1 3.27Å; Q179-T296 HydrophobicContact CG-CG2 4.2Å; Q179-T296 PolarHBondContact OE1-OG1 2.84Å; T294-T296 VanDerWaalsContact C-N 3.27Å; T294-T296 PolarHBondContact O-N 3.12Å; T294-T296 PolarHBondContact OG1-OG1 3.33Å; T296-A299 PolarHBondContact O-N 2.72Å; T296-L300 WeakPolarHBondContact O-CB 3.24Å; T296-L300 PolarHBondContact O-N 3.01Å; T296-V431 HydrophobicContact CG2-CB 3.47Å; T296-V431 VanDerWaalsContact CG2-CB 3.47Å; T296-V431 HydrophobicContact CG2-CG1 3.29Å; T296-V431 HydrophobicContact CG2-CG2 3.84Å |
| 297 | Q | 72 | Confident | 72.8 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -69.1 | -42.8 | 179.6 | -167.3 | 72.5 | -8.6 | 0 | 0 | 110.2 | Q179 F183 D186 T294 P295 A299 L300 Y301 | Q179-Q297 PolarHBondContact O-OE1 3.3Å; F183-Q297 VanDerWaalsContact CA-NE2 3.34Å; D186-Q297 PolarHBondContact OD2-NE2 3.44Å; T294-Q297 PolarHBondContact O-N 3.14Å; T294-Q297 WeakPolarHBondContact OG1-CB 3.42Å; T294-Q297 PolarHBondContact OG1-N 3.09Å; T294-Q297 VanDerWaalsContact OG1-N 3.14Å; P295-Q297 PolarHBondContact O-N 3.11Å; Q297-A299 VanDerWaalsContact C-N 3.33Å; Q297-A299 PolarHBondContact O-N 3.27Å; Q297-L300 PolarHBondContact O-N 2.75Å; Q297-Y301 HydrophobicContact CG-CD2 3.87Å; Q297-Y301 HydrophobicContact CG-CE2 3.4Å; Q297-Y301 VanDerWaalsContact CG-CE2 3.4Å; Q297-Y301 PolarHBondContact NE2-OH 2.74Å; Q297-Y301 VanDerWaalsContact NE2-OH 3.15Å; Q297-Y301 WeakPolarHBondContact O-CD2 3.46Å; Q297-Y301 PolarHBondContact O-N 3.31Å |
| 298 | A | 70.3 | Confident | 74.9 | Confident | 5 Ų | 5 | 13.9 Ų | 13.9 | 4% | 0.041 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.6 | -38.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V291 T294 P295 T302 L422 | V291-A298 HydrophobicContact CG1-CB 4.37Å; V291-A298 WeakPolarHBondContact O-CA 2.99Å; V291-A298 WeakPolarHBondContact O-CB 3.36Å; V291-A298 PolarHBondContact O-N 3.35Å; V291-A298 VanDerWaalsContact O-N 3.12Å; T294-A298 PolarHBondContact O-N 3.06Å; T294-A298 VanDerWaalsContact O-N 3.15Å; P295-A298 PolarHBondContact O-N 3.28Å; A298-T302 WeakPolarHBondContact O-CB 3.5Å; A298-T302 PolarHBondContact O-N 3.14Å; A298-T302 PolarHBondContact O-OG1 2.86Å; A298-L422 HydrophobicContact CB-CD1 3.79Å |
| 299 | A | 75.5 | Confident | 76.8 | Confident | 13 Ų | 13 | 13.7 Ų | 13.7 | 11% | 0.107 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.7 | -45.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P295 T296 Q297 T302 V303 L422 L428 | P295-A299 VanDerWaalsContact O-CB 3.3Å; P295-A299 WeakPolarHBondContact O-CB 3.41Å; P295-A299 PolarHBondContact O-N 2.77Å; T296-A299 PolarHBondContact O-N 2.72Å; Q297-A299 VanDerWaalsContact C-N 3.33Å; Q297-A299 PolarHBondContact O-N 3.27Å; A299-T302 WeakPolarHBondContact O-CB 3.5Å; A299-T302 PolarHBondContact O-N 2.79Å; A299-V303 WeakPolarHBondContact O-CG2 3.49Å; A299-V303 PolarHBondContact O-N 3.04Å; A299-L422 HydrophobicContact CB-CD2 4.34Å; A299-L428 HydrophobicContact CB-CD1 3.63Å; A299-L428 HydrophobicContact CB-CG 4.24Å |
| 300 | L | 80.6 | Confident | 78.6 | Confident | 8 Ų | 8 | 17.4 Ų | 17.4 | 4% | 0.042 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.3 | -42 | 177.1 | -178.4 | 57.6 | 0 | 0 | 0 | 111.6 | Q179 W180 F183 T296 Q297 T302 V303 W304 | Q179-L300 HydrophobicContact CB-CD2 4.35Å; W180-L300 HydrophobicContact CE3-CD2 4.48Å; F183-L300 HydrophobicContact CB-CD2 3.81Å; F183-L300 HydrophobicContact CD2-CD2 3.8Å; F183-L300 HydrophobicContact CD2-CG 3.89Å; F183-L300 HydrophobicContact CE2-CG 4.3Å; F183-L300 HydrophobicContact CG-CD2 4Å; T296-L300 WeakPolarHBondContact O-CB 3.24Å; T296-L300 PolarHBondContact O-N 3.01Å; Q297-L300 PolarHBondContact O-N 2.75Å; L300-T302 VanDerWaalsContact C-N 3.35Å; L300-V303 PolarHBondContact O-N 3.19Å; L300-W304 VanDerWaalsContact O-CD1 3.25Å; L300-W304 PolarHBondContact O-N 3.27Å; L300-W304 VanDerWaalsContact O-N 3.11Å |
| 301 | Y | 81 | Confident | 80.2 | Confident | 8 Ų | 8 | 18.4 Ų | 18.4 | 3% | 0.031 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.9 | -41.7 | 171.3 | -73.2 | -52.4 | 0 | 0 | 0 | 112.1 | F183 M255 V291 Q297 W304 V305 | F183-Y301 AromaticContact CD2-CD1 3.84Å; F183-Y301 HydrophobicContact CD2-CD1 3.84Å; F183-Y301 AromaticContact CD2-CE1 3.36Å; F183-Y301 HydrophobicContact CD2-CE1 3.36Å; F183-Y301 AromaticContact CD2-CZ 3.96Å; F183-Y301 AromaticContact CE2-CD1 3.49Å; F183-Y301 HydrophobicContact CE2-CD1 3.49Å; F183-Y301 VanDerWaalsContact CE2-CD1 3.49Å; F183-Y301 AromaticContact CE2-CE1 3.32Å; F183-Y301 HydrophobicContact CE2-CE1 3.32Å; F183-Y301 HydrophobicContact CG-CE1 4.4Å; F183-Y301 HydrophobicContact CZ-CE1 4.33Å; M255-Y301 HydrophobicContact CB-CD1 4.4Å; M255-Y301 HydrophobicContact CB-CE1 3.39Å; M255-Y301 WeakPolarHBondContact CB-OH 3.41Å; M255-Y301 HydrophobicContact CG-CE1 4.39Å; V291-Y301 HydrophobicContact CB-CD2 3.88Å; V291-Y301 HydrophobicContact CB-CE2 4.24Å; V291-Y301 HydrophobicContact CG1-CD2 3.82Å; V291-Y301 HydrophobicContact CG1-CG 4.38Å; V291-Y301 HydrophobicContact CG2-CD2 3.61Å; V291-Y301 HydrophobicContact CG2-CE2 3.83Å; V291-Y301 HydrophobicContact CG2-CG 4.15Å; Q297-Y301 HydrophobicContact CG-CD2 3.87Å; Q297-Y301 HydrophobicContact CG-CE2 3.4Å; Q297-Y301 VanDerWaalsContact CG-CE2 3.4Å; Q297-Y301 PolarHBondContact NE2-OH 2.74Å; Q297-Y301 VanDerWaalsContact NE2-OH 3.15Å; Q297-Y301 WeakPolarHBondContact O-CD2 3.46Å; Q297-Y301 PolarHBondContact O-N 3.31Å; Y301-W304 PolarHBondContact O-N 2.61Å; Y301-V305 WeakPolarHBondContact O-CG2 3.48Å; Y301-V305 PolarHBondContact O-N 3.37Å |
| 302 | T | 81.3 | Confident | 81.7 | Confident | 56 Ų | 56 | 17 Ų | 17 | 34% | 0.344 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -62.5 | -44.2 | 176.8 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | A298 A299 L300 W304 V305 L306 | A298-T302 WeakPolarHBondContact O-CB 3.5Å; A298-T302 PolarHBondContact O-N 3.14Å; A298-T302 PolarHBondContact O-OG1 2.86Å; A299-T302 WeakPolarHBondContact O-CB 3.5Å; A299-T302 PolarHBondContact O-N 2.79Å; L300-T302 VanDerWaalsContact C-N 3.35Å; T302-W304 VanDerWaalsContact C-N 3.27Å; T302-W304 PolarHBondContact O-N 3.07Å; T302-V305 PolarHBondContact O-N 3.01Å; T302-L306 HydrophobicContact CG2-CD1 4.15Å; T302-L306 HydrophobicContact CG2-CG 4.44Å; T302-L306 WeakPolarHBondContact O-CB 3.27Å; T302-L306 VanDerWaalsContact O-CG 3.27Å; T302-L306 WeakPolarHBondContact O-CG 3.37Å; T302-L306 PolarHBondContact O-N 2.93Å |
| 303 | V | 87 | Confident | 83.1 | Confident | 3 Ų | 3 | 19.6 Ų | 19.6 | 2% | 0.018 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -55.6 | -42.9 | 173.6 | 164.8 | 0 | 0 | 0 | 0 | 111.3 | A299 L300 L306 Q307 L428 I572 L573 N576 V577 | A299-V303 WeakPolarHBondContact O-CG2 3.49Å; A299-V303 PolarHBondContact O-N 3.04Å; L300-V303 PolarHBondContact O-N 3.19Å; V303-L306 PolarHBondContact O-N 3.31Å; V303-Q307 WeakPolarHBondContact O-CB 3.47Å; V303-Q307 PolarHBondContact O-N 2.71Å; V303-L428 HydrophobicContact CG2-CD2 4.07Å; V303-I572 HydrophobicContact CG1-CG2 4.02Å; V303-L573 HydrophobicContact CG1-CD2 4.13Å; V303-L573 HydrophobicContact CG2-CD2 4.2Å; V303-N576 HydrophobicContact CG1-CB 4.39Å; V303-V577 HydrophobicContact CG2-CG2 3.86Å |
| 304 | W | 90.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -74.9 | -32.3 | 179.8 | -81.4 | 112.9 | 0 | 0 | 0 | 114.5 | W180 F183 I256 L300 Y301 T302 Q307 H308 I335 Q338 I339 I342 L569 I572 | W180-W304 AromaticContact CH2-CZ2 3.55Å; W180-W304 HydrophobicContact CH2-CZ2 3.55Å; W180-W304 AromaticContact CH2-NE1 3.99Å; W180-W304 AromaticContact CZ3-CE2 3.86Å; W180-W304 AromaticContact CZ3-CZ2 3.69Å; W180-W304 HydrophobicContact CZ3-CZ2 3.69Å; W180-W304 AromaticContact CZ3-NE1 3.46Å; F183-W304 AromaticContact CE2-CD1 3.54Å; F183-W304 HydrophobicContact CE2-CG 4.3Å; F183-W304 AromaticContact CZ-CD1 3.52Å; F183-W304 HydrophobicContact CZ-CG 4.07Å; F183-W304 AromaticContact CZ-NE1 3.81Å; I256-W304 HydrophobicContact CD1-CB 3.51Å; I256-W304 HydrophobicContact CD1-CG 4.1Å; I256-W304 HydrophobicContact CG1-CB 4.25Å; L300-W304 VanDerWaalsContact O-CD1 3.25Å; L300-W304 PolarHBondContact O-N 3.27Å; L300-W304 VanDerWaalsContact O-N 3.11Å; Y301-W304 PolarHBondContact O-N 2.61Å; T302-W304 VanDerWaalsContact C-N 3.27Å; T302-W304 PolarHBondContact O-N 3.07Å; W304-Q307 HydrophobicContact CE3-CB 4.16Å; W304-Q307 HydrophobicContact CE3-CG 4.05Å; W304-Q307 HydrophobicContact CZ3-CG 3.96Å; W304-Q307 PolarHBondContact O-N 2.84Å; W304-H308 WeakPolarHBondContact O-CB 3.3Å; W304-H308 PolarHBondContact O-N 2.9Å; W304-I335 HydrophobicContact CE3-CD1 4.04Å; W304-I335 HydrophobicContact CE3-CG2 4Å; W304-I335 HydrophobicContact CZ3-CD1 4.09Å; W304-I335 HydrophobicContact CZ3-CG2 4.29Å; W304-Q338 HydrophobicContact CH2-CB 4.06Å; W304-Q338 HydrophobicContact CZ3-CB 4.16Å; W304-I339 HydrophobicContact CD2-CD1 4.15Å; W304-I339 HydrophobicContact CD2-CG1 4.18Å; W304-I339 HydrophobicContact CE3-CD1 4.14Å; W304-I339 HydrophobicContact CE3-CG1 4.16Å; W304-I339 HydrophobicContact CH2-CG1 3.72Å; W304-I339 HydrophobicContact CZ2-CG1 3.74Å; W304-I339 HydrophobicContact CZ3-CD1 4.34Å; W304-I339 HydrophobicContact CZ3-CG1 3.92Å; W304-I342 HydrophobicContact CH2-CD1 3.92Å; W304-I342 HydrophobicContact CZ2-CD1 3.96Å; W304-L569 HydrophobicContact CZ2-CD1 4.31Å; W304-I572 HydrophobicContact CE3-CG2 4.49Å; W304-I572 HydrophobicContact CH2-CD1 4.17Å; W304-I572 HydrophobicContact CH2-CG1 3.86Å; W304-I572 HydrophobicContact CH2-CG2 4.01Å; W304-I572 HydrophobicContact CZ2-CG1 4.33Å; W304-I572 HydrophobicContact CZ2-CG2 4.07Å; W304-I572 HydrophobicContact CZ3-CD1 4.4Å; W304-I572 HydrophobicContact CZ3-CG2 4.23Å |
| 305 | V | 88.5 | Confident | 85.7 | Confident | 13 Ų | 13 | 27 Ų | 27 | 8% | 0.079 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.6 | -38.9 | 170.3 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | I256 V275 Y301 T302 H308 N309 | I256-V305 HydrophobicContact CG2-CG2 3.95Å; V275-V305 HydrophobicContact CB-CG1 4.11Å; V275-V305 HydrophobicContact CG1-CG1 3.82Å; V275-V305 HydrophobicContact CG1-CG2 4.31Å; Y301-V305 WeakPolarHBondContact O-CG2 3.48Å; Y301-V305 PolarHBondContact O-N 3.37Å; T302-V305 PolarHBondContact O-N 3.01Å; V305-H308 PolarHBondContact O-N 3.43Å; V305-N309 WeakPolarHBondContact O-CB 3.35Å; V305-N309 VanDerWaalsContact O-CG 3.28Å; V305-N309 PolarHBondContact O-N 2.92Å; V305-N309 PolarHBondContact O-ND2 2.89Å |
| 306 | L | 90.1 | Very high | 87 | Confident | 52 Ų | 52 | 29.8 Ų | 29.8 | 27% | 0.272 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -62.4 | -44.7 | 171.9 | -70 | 171.2 | 0 | 0 | 0 | 111.2 | Y277 T302 V303 H308 N309 R310 N576 | Y277-L306 HydrophobicContact CD2-CD2 4.14Å; Y277-L306 HydrophobicContact CE2-CD2 4.47Å; Y277-L306 HydrophobicContact CG-CD2 4.3Å; T302-L306 HydrophobicContact CG2-CD1 4.15Å; T302-L306 HydrophobicContact CG2-CG 4.44Å; T302-L306 WeakPolarHBondContact O-CB 3.27Å; T302-L306 VanDerWaalsContact O-CG 3.27Å; T302-L306 WeakPolarHBondContact O-CG 3.37Å; T302-L306 PolarHBondContact O-N 2.93Å; V303-L306 PolarHBondContact O-N 3.31Å; L306-H308 VanDerWaalsContact C-N 3.35Å; L306-H308 PolarHBondContact O-N 3.27Å; L306-N309 PolarHBondContact O-N 2.75Å; L306-R310 VanDerWaalsContact O-CB 3.3Å; L306-R310 WeakPolarHBondContact O-CB 3.29Å; L306-R310 PolarHBondContact O-N 3.13Å; L306-N576 HydrophobicContact CB-CB 4.06Å; L306-N576 PolarHBondContact O-OD1 2.79Å |
| 307 | Q | 93.8 | Very high | 88.1 | Confident | 8 Ų | 8 | 34.5 Ų | 34.5 | 4% | 0.037 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.5 | -40.8 | 177 | 179.4 | 61 | 3.4 | 0 | 0 | 111.8 | V303 W304 I311 I335 I572 N576 | V303-Q307 WeakPolarHBondContact O-CB 3.47Å; V303-Q307 PolarHBondContact O-N 2.71Å; W304-Q307 HydrophobicContact CE3-CB 4.16Å; W304-Q307 HydrophobicContact CE3-CG 4.05Å; W304-Q307 HydrophobicContact CZ3-CG 3.96Å; W304-Q307 PolarHBondContact O-N 2.84Å; Q307-I311 HydrophobicContact CG-CD1 4.27Å; Q307-I311 WeakPolarHBondContact O-CG1 3.37Å; Q307-I311 PolarHBondContact O-N 2.04Å; Q307-I335 HydrophobicContact CB-CD1 4.17Å; Q307-I335 HydrophobicContact CG-CD1 3.58Å; Q307-I572 HydrophobicContact CB-CG2 4.31Å; Q307-I572 HydrophobicContact CG-CD1 4.1Å; Q307-I572 HydrophobicContact CG-CG2 4.15Å; Q307-I572 VanDerWaalsContact NE2-CD1 3.3Å; Q307-N576 VanDerWaalsContact CA-OD1 3.3Å; Q307-N576 WeakPolarHBondContact CA-OD1 3.41Å; Q307-N576 PolarHBondContact N-OD1 2.81Å; Q307-N576 PolarHBondContact OE1-ND2 3.11Å |
| 308 | H | 94.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.3 | -54.8 | 170.8 | 175.6 | 100.8 | 0 | 0 | 0 | 110.5 | Y257 G273 W304 V305 L306 R310 I311 A312 F328 T331 I335 | Y257-H308 AromaticContact CE1-CE1 3.59Å; Y257-H308 AromaticContact CE1-ND1 3.28Å; Y257-H308 VanDerWaalsContact CE1-ND1 3.28Å; Y257-H308 WeakPolarHBondContact CE1-ND1 3.19Å; Y257-H308 AromaticContact CZ-ND1 3.47Å; Y257-H308 PolarHBondContact OH-ND1 3.01Å; G273-H308 PolarHBondContact O-NE2 2.64Å; W304-H308 WeakPolarHBondContact O-CB 3.3Å; W304-H308 PolarHBondContact O-N 2.9Å; V305-H308 PolarHBondContact O-N 3.43Å; L306-H308 VanDerWaalsContact C-N 3.35Å; L306-H308 PolarHBondContact O-N 3.27Å; H308-R310 VanDerWaalsContact C-N 3.26Å; H308-R310 PolarHBondContact O-N 3.31Å; H308-I311 PolarHBondContact O-N 2.93Å; H308-I311 VanDerWaalsContact O-N 3.12Å; H308-A312 WeakPolarHBondContact O-CB 3.44Å; H308-A312 PolarHBondContact O-N 3.21Å; H308-F328 AromaticContact CE1-CD2 3.68Å; H308-F328 AromaticContact CE1-CE2 3.85Å; H308-F328 AromaticContact NE2-CD2 3.79Å; H308-T331 HydrophobicContact CB-CG2 4.14Å; H308-T331 VanDerWaalsContact CE1-CG2 3.45Å; H308-T331 WeakPolarHBondContact CE1-CG2 3.36Å; H308-T331 WeakPolarHBondContact ND1-CG2 3.37Å; H308-T331 VanDerWaalsContact O-CG2 3.25Å; H308-T331 WeakPolarHBondContact O-CG2 3.48Å; H308-I335 HydrophobicContact CB-CD1 4.25Å; H308-I335 HydrophobicContact CB-CG1 4.2Å |
| 309 | N | 94 | Very high | 90 | Very high | 12 Ų | 12 | 42.5 Ų | 42.5 | 6% | 0.064 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62 | -34.3 | -176.9 | -73.6 | -21.5 | 0 | 0 | 0 | 113 | K274 V275 Y277 V305 L306 E313 | K274-N309 WeakPolarHBondContact CA-OD1 3.42Å; K274-N309 VanDerWaalsContact CB-OD1 3.25Å; K274-N309 WeakPolarHBondContact CB-OD1 3.33Å; K274-N309 HydrophobicContact CD-CB 4.5Å; K274-N309 HydrophobicContact CG-CB 4.4Å; V275-N309 PolarHBondContact N-OD1 3.32Å; V275-N309 PolarHBondContact O-ND2 2.76Å; V275-N309 PolarHBondContact O-OD1 2.94Å; Y277-N309 WeakPolarHBondContact CD1-ND2 3.49Å; V305-N309 WeakPolarHBondContact O-CB 3.35Å; V305-N309 VanDerWaalsContact O-CG 3.28Å; V305-N309 PolarHBondContact O-N 2.92Å; V305-N309 PolarHBondContact O-ND2 2.89Å; L306-N309 PolarHBondContact O-N 2.75Å; N309-E313 VanDerWaalsContact O-CB 3.28Å; N309-E313 WeakPolarHBondContact O-CB 3.05Å; N309-E313 PolarHBondContact O-N 3.37Å |
| 310 | R | 93.8 | Very high | 90.6 | Very high | 91 Ų | 91 | 48.4 Ų | 48.4 | 34% | 0.343 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.8 | -43.6 | 173.7 | 177.6 | 178.7 | 157.4 | 154 | -7.6 | 112.1 | L306 H308 R314 D575 | L306-R310 VanDerWaalsContact O-CB 3.3Å; L306-R310 WeakPolarHBondContact O-CB 3.29Å; L306-R310 PolarHBondContact O-N 3.13Å; H308-R310 VanDerWaalsContact C-N 3.26Å; H308-R310 PolarHBondContact O-N 3.31Å; R310-R314 WeakPolarHBondContact O-CG 3.24Å; R310-R314 PolarHBondContact O-N 3.02Å; R310-R314 VanDerWaalsContact O-N 3.14Å; R310-D575 IonicContact CZ-OD1 2.71Å; R310-D575 IonicContact CZ-OD2 2.77Å; R310-D575 VanDerWaalsContact NH1-CB 3.25Å; R310-D575 PolarHBondContact NH1-O 3.44Å; R310-D575 IonicContact NH1-OD1 3.17Å; R310-D575 PolarHBondContact NH1-OD1 2.84Å; R310-D575 IonicContact NH2-OD1 3.05Å; R310-D575 PolarHBondContact NH2-OD1 2.8Å; R310-D575 IonicContact NH2-OD2 3.96Å; R310-D575 PolarHBondContact NH2-OD2 2.96Å |
| 311 | I | 94.8 | Very high | 91.1 | Very high | 27 Ų | 27 | 57.3 Ų | 57.3 | 14% | 0.138 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.7 | -42.3 | 175.9 | -73 | 171 | 0 | 0 | 0 | 110.8 | Q307 H308 E313 R314 L315 T331 I334 I335 | Q307-I311 HydrophobicContact CG-CD1 4.27Å; Q307-I311 WeakPolarHBondContact O-CG1 3.37Å; Q307-I311 PolarHBondContact O-N 2.04Å; H308-I311 PolarHBondContact O-N 2.93Å; H308-I311 VanDerWaalsContact O-N 3.12Å; I311-E313 VanDerWaalsContact C-N 3.32Å; I311-E313 PolarHBondContact O-N 2.77Å; I311-R314 PolarHBondContact O-N 2.9Å; I311-L315 HydrophobicContact CG2-CD1 4.13Å; I311-L315 HydrophobicContact CG2-CG 4.23Å; I311-L315 WeakPolarHBondContact O-CB 3.42Å; I311-L315 WeakPolarHBondContact O-CG 3.24Å; I311-L315 PolarHBondContact O-N 2.77Å; I311-T331 HydrophobicContact CB-CG2 3.97Å; I311-T331 HydrophobicContact CG2-CG2 3.84Å; I311-I334 HydrophobicContact CD1-CG2 3.91Å; I311-I334 HydrophobicContact CG2-CD1 4.14Å; I311-I334 HydrophobicContact CG2-CG2 4.48Å; I311-I335 HydrophobicContact CD1-CD1 3.97Å |
| 312 | A | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.7 | -43 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K274 H308 L315 K316 I327 T331 | K274-A312 HydrophobicContact CG-CB 4.21Å; H308-A312 WeakPolarHBondContact O-CB 3.44Å; H308-A312 PolarHBondContact O-N 3.21Å; A312-L315 PolarHBondContact O-N 2.94Å; A312-K316 WeakPolarHBondContact O-CB 3.44Å; A312-K316 PolarHBondContact O-N 2.94Å; A312-I327 HydrophobicContact CB-CG2 3.88Å; A312-I327 WeakPolarHBondContact O-CG2 3.36Å; A312-T331 WeakPolarHBondContact CA-OG1 3.29Å; A312-T331 HydrophobicContact CB-CG2 4.23Å; A312-T331 PolarHBondContact N-OG1 3.08Å |
| 313 | E | 93.8 | Very high | 92.2 | Very high | 92 Ų | 92 | 62.7 Ų | 62.7 | 43% | 0.43 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.5 | -47.5 | 174 | -174.2 | 158 | -93.8 | 0 | 0 | 112.3 | K274 N309 I311 L315 K316 E317 | K274-E313 IonicContact NZ-OE1 3.14Å; K274-E313 PolarHBondContact NZ-OE1 2.91Å; N309-E313 VanDerWaalsContact O-CB 3.28Å; N309-E313 WeakPolarHBondContact O-CB 3.05Å; N309-E313 PolarHBondContact O-N 3.37Å; I311-E313 VanDerWaalsContact C-N 3.32Å; I311-E313 PolarHBondContact O-N 2.77Å; E313-L315 PolarHBondContact O-N 2.91Å; E313-K316 PolarHBondContact O-N 3.24Å; E313-E317 WeakPolarHBondContact O-CG 3.38Å; E313-E317 PolarHBondContact O-N 3.19Å |
| 314 | R | 94.3 | Very high | 92.5 | Very high | 133 Ų | 133 | 64 Ų | 64 | 50% | 0.502 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.7 | -35.8 | 175.3 | -64.6 | -52 | -174.6 | -172.5 | -7.8 | 113.2 | R310 I311 K316 E317 I318 | R310-R314 WeakPolarHBondContact O-CG 3.24Å; R310-R314 PolarHBondContact O-N 3.02Å; R310-R314 VanDerWaalsContact O-N 3.14Å; I311-R314 PolarHBondContact O-N 2.9Å; R314-K316 VanDerWaalsContact C-N 3.34Å; R314-E317 WeakPolarHBondContact CD-OE2 3.25Å; R314-E317 IonicContact CZ-OE1 2.72Å; R314-E317 IonicContact CZ-OE2 3.57Å; R314-E317 IonicContact NE-OE2 3.85Å; R314-E317 IonicContact NH1-OE1 3.59Å; R314-E317 PolarHBondContact NH1-OE1 2.94Å; R314-E317 IonicContact NH1-OE2 3.65Å; R314-E317 PolarHBondContact NH1-OE2 3.31Å; R314-E317 PolarHBondContact O-N 3.31Å; R314-I318 WeakPolarHBondContact O-CB 3.48Å; R314-I318 WeakPolarHBondContact O-CD1 3.47Å; R314-I318 VanDerWaalsContact O-CG1 3.28Å; R314-I318 WeakPolarHBondContact O-CG1 3.04Å; R314-I318 PolarHBondContact O-N 2.93Å; R314-I318 VanDerWaalsContact O-N 3.08Å |
| 315 | L | 94 | Very high | 92.6 | Very high | 26 Ų | 26 | 67.3 Ų | 67.3 | 14% | 0.136 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.8 | -36 | 173.8 | -75.5 | -176.9 | 0 | 0 | 0 | 111.7 | I311 A312 E313 N319 W322 I327 E330 I334 | I311-L315 HydrophobicContact CG2-CD1 4.13Å; I311-L315 HydrophobicContact CG2-CG 4.23Å; I311-L315 WeakPolarHBondContact O-CB 3.42Å; I311-L315 WeakPolarHBondContact O-CG 3.24Å; I311-L315 PolarHBondContact O-N 2.77Å; A312-L315 PolarHBondContact O-N 2.94Å; E313-L315 PolarHBondContact O-N 2.91Å; L315-N319 WeakPolarHBondContact O-CA 3.5Å; L315-N319 VanDerWaalsContact O-CB 3.31Å; L315-N319 WeakPolarHBondContact O-CB 3.37Å; L315-N319 PolarHBondContact O-N 2.94Å; L315-N319 PolarHBondContact O-ND2 2.88Å; L315-W322 HydrophobicContact CD1-CZ3 4.42Å; L315-W322 HydrophobicContact CD2-CZ3 4.34Å; L315-I327 HydrophobicContact CB-CG2 4.17Å; L315-E330 HydrophobicContact CD1-CB 3.87Å; L315-I334 HydrophobicContact CD1-CD1 4.08Å |
| 316 | K | 92.8 | Very high | 92.8 | Very high | 60 Ų | 60 | 71.9 Ų | 71.9 | 26% | 0.261 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.7 | -41.9 | 174.2 | -173.3 | 62.6 | 179.2 | 168.5 | 0 | 112.3 | D272 A312 E313 R314 I318 N319 E320 W322 I327 | D272-K316 HydrophobicContact CB-CG 4.4Å; A312-K316 WeakPolarHBondContact O-CB 3.44Å; A312-K316 PolarHBondContact O-N 2.94Å; E313-K316 PolarHBondContact O-N 3.24Å; R314-K316 VanDerWaalsContact C-N 3.34Å; K316-I318 VanDerWaalsContact C-N 3.34Å; K316-I318 PolarHBondContact O-N 3.44Å; K316-N319 CarbonylContact O-C 3.6Å; K316-E320 PolarHBondContact NZ-O 2.85Å; K316-E320 WeakPolarHBondContact O-CA 3.39Å; K316-E320 PolarHBondContact O-N 3.19Å; K316-W322 PolarHBondContact NZ-O 3.2Å; K316-I327 HydrophobicContact CB-CD1 3.98Å; K316-I327 HydrophobicContact CD-CD1 3.35Å; K316-I327 HydrophobicContact CG-CD1 4.24Å |
| 317 | E | 92.4 | Very high | 93.1 | Very high | 117 Ų | 117 | 69.4 Ų | 69.4 | 55% | 0.547 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 174.5 | -73.8 | 175.8 | 166.3 | 0 | 0 | 112.4 | E313 R314 | E313-E317 WeakPolarHBondContact O-CG 3.38Å; E313-E317 PolarHBondContact O-N 3.19Å; R314-E317 WeakPolarHBondContact CD-OE2 3.25Å; R314-E317 IonicContact CZ-OE1 2.72Å; R314-E317 IonicContact CZ-OE2 3.57Å; R314-E317 IonicContact NE-OE2 3.85Å; R314-E317 IonicContact NH1-OE1 3.59Å; R314-E317 PolarHBondContact NH1-OE1 2.94Å; R314-E317 IonicContact NH1-OE2 3.65Å; R314-E317 PolarHBondContact NH1-OE2 3.31Å; R314-E317 PolarHBondContact O-N 3.31Å |
| 318 | I | 92 | Very high | 93.1 | Very high | 130 Ų | 130 | 69 Ų | 69 | 67% | 0.667 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -82.6 | -30.6 | -176.8 | -64.1 | 167.1 | 0 | 0 | 0 | 111.8 | R314 K316 | R314-I318 WeakPolarHBondContact O-CB 3.48Å; R314-I318 WeakPolarHBondContact O-CD1 3.47Å; R314-I318 VanDerWaalsContact O-CG1 3.28Å; R314-I318 WeakPolarHBondContact O-CG1 3.04Å; R314-I318 PolarHBondContact O-N 2.93Å; R314-I318 VanDerWaalsContact O-N 3.08Å; K316-I318 VanDerWaalsContact C-N 3.34Å; K316-I318 PolarHBondContact O-N 3.44Å |
| 319 | N | 90.7 | Very high | 93.1 | Very high | 43 Ų | 43 | 72.2 Ų | 72.2 | 23% | 0.23 | 32% | 0.324 | C | S | . | . | trans | -125.6 | 64.6 | -175.2 | -50.2 | -92.3 | 0 | 0 | 0 | 110.4 | L315 K316 F321 W322 | L315-N319 WeakPolarHBondContact O-CA 3.5Å; L315-N319 VanDerWaalsContact O-CB 3.31Å; L315-N319 WeakPolarHBondContact O-CB 3.37Å; L315-N319 PolarHBondContact O-N 2.94Å; L315-N319 PolarHBondContact O-ND2 2.88Å; K316-N319 CarbonylContact O-C 3.6Å; N319-F321 PolarHBondContact O-N 3.18Å; N319-W322 HydrophobicContact CB-CB 4.25Å; N319-W322 HydrophobicContact CB-CD2 3.46Å; N319-W322 VanDerWaalsContact CB-CD2 3.46Å; N319-W322 HydrophobicContact CB-CE3 3.91Å; N319-W322 HydrophobicContact CB-CG 3.61Å; N319-W322 HydrophobicContact CB-CZ2 4.26Å; N319-W322 HydrophobicContact CB-CZ3 4.48Å; N319-W322 WeakPolarHBondContact O-CB 3.39Å; N319-W322 PolarHBondContact O-N 3.33Å; N319-W322 WeakPolarHBondContact OD1-CZ2 3.48Å | ||
| 320 | E | 87.3 | Confident | 93.1 | Very high | 137 Ų | 137 | 72.7 Ų | 72.7 | 64% | 0.64 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | -37.4 | -174.9 | -172 | -179.5 | -178.6 | 0 | 0 | 113.2 | K316 W322 | K316-E320 PolarHBondContact NZ-O 2.85Å; K316-E320 WeakPolarHBondContact O-CA 3.39Å; K316-E320 PolarHBondContact O-N 3.19Å; E320-W322 VanDerWaalsContact C-N 3.33Å; E320-W322 PolarHBondContact O-N 2.82Å |
| 321 | F | 91.5 | Very high | 93.1 | Very high | 196 Ų | 196 | 68.4 Ų | 68.4 | 86% | 0.86 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -6.1 | -178.9 | -52.9 | -68.4 | 0 | 0 | 0 | 115.5 | N319 | N319-F321 PolarHBondContact O-N 3.18Š|
| 322 | W | 91.2 | Very high | 93.1 | Very high | 75 Ų | 75 | 67.9 Ų | 67.9 | 28% | 0.284 | 31% | 0.306 | S | S | . | . | trans | -74.6 | 141.7 | 175.5 | -70.4 | 6 | 0 | 0 | 0 | 111.4 | L315 K316 N319 E320 R326 I327 E330 | L315-W322 HydrophobicContact CD1-CZ3 4.42Å; L315-W322 HydrophobicContact CD2-CZ3 4.34Å; K316-W322 PolarHBondContact NZ-O 3.2Å; N319-W322 HydrophobicContact CB-CB 4.25Å; N319-W322 HydrophobicContact CB-CD2 3.46Å; N319-W322 VanDerWaalsContact CB-CD2 3.46Å; N319-W322 HydrophobicContact CB-CE3 3.91Å; N319-W322 HydrophobicContact CB-CG 3.61Å; N319-W322 HydrophobicContact CB-CZ2 4.26Å; N319-W322 HydrophobicContact CB-CZ3 4.48Å; N319-W322 WeakPolarHBondContact O-CB 3.39Å; N319-W322 PolarHBondContact O-N 3.33Å; N319-W322 WeakPolarHBondContact OD1-CZ2 3.48Å; E320-W322 VanDerWaalsContact C-N 3.33Å; E320-W322 PolarHBondContact O-N 2.82Å; W322-R326 HydrophobicContact CB-CB 4.36Å; W322-R326 HydrophobicContact CB-CG 4.39Å; W322-R326 HydrophobicContact CD2-CG 3.71Å; W322-R326 HydrophobicContact CE3-CG 3.8Å; W322-R326 HydrophobicContact CG-CB 4.48Å; W322-R326 HydrophobicContact CG-CG 3.99Å; W322-R326 HydrophobicContact CZ3-CG 4.37Å; W322-I327 HydrophobicContact CB-CD1 3.93Å; W322-I327 HydrophobicContact CB-CG1 3.66Å; W322-I327 HydrophobicContact CE3-CG1 4.01Å; W322-E330 HydrophobicContact CE3-CG 4.5Å; W322-E330 HydrophobicContact CH2-CG 4.05Å; W322-E330 HydrophobicContact CZ3-CB 3.98Å; W322-E330 HydrophobicContact CZ3-CG 3.71Å | ||
| 323 | D | 93.7 | Very high | 93 | Very high | 102 Ų | 102 | 69.7 Ų | 69.7 | 55% | 0.545 | 31% | 0.313 | S | S | . | . | trans | -80.5 | 170.1 | 173.7 | 64.2 | 23.1 | 0 | 0 | 0 | 112.2 | E325 R326 I327 | D323-E325 PolarHBondContact O-N 3.36Å; D323-E325 PolarHBondContact OD1-N 3.03Å; D323-R326 PolarHBondContact O-N 2.77Å; D323-R326 WeakPolarHBondContact OD1-CB 3.15Å; D323-R326 PolarHBondContact OD1-N 3.46Å; D323-I327 WeakPolarHBondContact O-CG1 3.23Å; D323-I327 PolarHBondContact O-N 3.32Å; D323-I327 VanDerWaalsContact O-N 3.08Å | ||
| 324 | D | 94 | Very high | 93.1 | Very high | 31 Ų | 31 | 67 Ų | 67 | 17% | 0.166 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.6 | -36.6 | 178.9 | -177 | 80.9 | 0 | 0 | 0 | 112.4 | R268 Y270 K271 D272 G273 F328 | R268-D324 IonicContact CZ-OD2 3.45Å; R268-D324 IonicContact NE-OD2 3.19Å; R268-D324 IonicContact NH2-OD2 3.11Å; R268-D324 PolarHBondContact NH2-OD2 3.39Å; Y270-D324 WeakPolarHBondContact CA-OD2 3.2Å; K271-D324 WeakPolarHBondContact CA-OD1 3.24Å; K271-D324 PolarHBondContact N-OD1 3.49Å; D272-D324 PolarHBondContact N-OD1 3.45Å; G273-D324 WeakPolarHBondContact CA-O 3.31Å; G273-D324 VanDerWaalsContact CA-OD1 3.25Å; G273-D324 WeakPolarHBondContact CA-OD1 3.31Å; G273-D324 PolarHBondContact N-OD1 3.38Å; D324-F328 WeakPolarHBondContact O-CB 3.4Å; D324-F328 PolarHBondContact O-N 2.89Å |
| 325 | E | 92.8 | Very high | 93.1 | Very high | 68 Ų | 68 | 60.7 Ų | 60.7 | 32% | 0.318 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -71 | -44.3 | -177.8 | -172.4 | 66.6 | -169.6 | 0 | 0 | 112 | R268 D323 R329 | R268-E325 IonicContact CZ-OE2 3.58Å; R268-E325 IonicContact NH1-OE1 2.69Å; R268-E325 IonicContact NH1-OE2 3.84Å; R268-E325 PolarHBondContact NH1-OE2 3.23Å; R268-E325 IonicContact NH2-OE2 3.48Å; R268-E325 PolarHBondContact NH2-OE2 3.4Å; D323-E325 PolarHBondContact O-N 3.36Å; D323-E325 PolarHBondContact OD1-N 3.03Å; E325-R329 VanDerWaalsContact O-CB 3.31Å; E325-R329 WeakPolarHBondContact O-CB 3.43Å; E325-R329 VanDerWaalsContact O-CG 3.26Å; E325-R329 WeakPolarHBondContact O-CG 3.41Å; E325-R329 PolarHBondContact O-N 2.92Å; E325-R329 IonicContact OE1-CZ 3.57Å; E325-R329 IonicContact OE1-NE 3.86Å; E325-R329 PolarHBondContact OE1-NE 3.48Å; E325-R329 IonicContact OE1-NH2 2.9Å; E325-R329 PolarHBondContact OE1-NH2 3.34Å |
| 326 | R | 92.7 | Very high | 93.1 | Very high | 109 Ų | 109 | 59.7 Ų | 59.7 | 41% | 0.411 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.9 | -43.8 | 177.5 | -176.6 | 56.8 | 178.4 | -121.7 | 12.4 | 111 | W322 D323 R329 E330 | W322-R326 HydrophobicContact CB-CB 4.36Å; W322-R326 HydrophobicContact CB-CG 4.39Å; W322-R326 HydrophobicContact CD2-CG 3.71Å; W322-R326 HydrophobicContact CE3-CG 3.8Å; W322-R326 HydrophobicContact CG-CB 4.48Å; W322-R326 HydrophobicContact CG-CG 3.99Å; W322-R326 HydrophobicContact CZ3-CG 4.37Å; D323-R326 PolarHBondContact O-N 2.77Å; D323-R326 WeakPolarHBondContact OD1-CB 3.15Å; D323-R326 PolarHBondContact OD1-N 3.46Å; R326-R329 PolarHBondContact O-N 3.22Å; R326-E330 HydrophobicContact CG-CG 4.34Å; R326-E330 IonicContact CZ-OE1 3.56Å; R326-E330 IonicContact NE-OE1 3.73Å; R326-E330 PolarHBondContact NE-OE1 3.32Å; R326-E330 IonicContact NH2-OE1 2.64Å; R326-E330 PolarHBondContact NH2-OE1 3.21Å; R326-E330 WeakPolarHBondContact O-CB 3.42Å; R326-E330 VanDerWaalsContact O-CG 3.3Å; R326-E330 WeakPolarHBondContact O-CG 3.26Å; R326-E330 PolarHBondContact O-N 2.89Å |
| 327 | I | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.1 | -49.2 | 178.6 | -63.7 | 164.9 | 0 | 0 | 0 | 110 | A312 L315 K316 W322 D323 R329 E330 T331 | A312-I327 HydrophobicContact CB-CG2 3.88Å; A312-I327 WeakPolarHBondContact O-CG2 3.36Å; L315-I327 HydrophobicContact CB-CG2 4.17Å; K316-I327 HydrophobicContact CB-CD1 3.98Å; K316-I327 HydrophobicContact CD-CD1 3.35Å; K316-I327 HydrophobicContact CG-CD1 4.24Å; W322-I327 HydrophobicContact CB-CD1 3.93Å; W322-I327 HydrophobicContact CB-CG1 3.66Å; W322-I327 HydrophobicContact CE3-CG1 4.01Å; D323-I327 WeakPolarHBondContact O-CG1 3.23Å; D323-I327 PolarHBondContact O-N 3.32Å; D323-I327 VanDerWaalsContact O-N 3.08Å; I327-R329 VanDerWaalsContact C-N 3.29Å; I327-R329 PolarHBondContact O-N 2.83Å; I327-E330 PolarHBondContact O-N 3Å; I327-T331 VanDerWaalsContact O-CB 3.31Å; I327-T331 WeakPolarHBondContact O-CB 3.08Å; I327-T331 PolarHBondContact O-N 3.36Å; I327-T331 PolarHBondContact O-OG1 3.42Å |
| 328 | F | 95 | Very high | 93.2 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.4 | -44.1 | 176.4 | 173.1 | -91 | 0 | 0 | 0 | 111.9 | F108 Y257 R268 G273 V275 H308 D324 R332 | F108-F328 AromaticContact CE1-CE1 3.71Å; F108-F328 HydrophobicContact CE1-CE1 3.71Å; F108-F328 AromaticContact CE1-CZ 3.94Å; F108-F328 HydrophobicContact CE1-CZ 3.94Å; F108-F328 AromaticContact CZ-CE1 3.62Å; F108-F328 HydrophobicContact CZ-CE1 3.62Å; F108-F328 HydrophobicContact CZ-CZ 4.19Å; Y257-F328 AromaticContact CD1-CE2 3.76Å; Y257-F328 HydrophobicContact CD1-CE2 3.76Å; Y257-F328 AromaticContact CD1-CZ 3.59Å; Y257-F328 HydrophobicContact CD1-CZ 3.59Å; Y257-F328 AromaticContact CE1-CE2 4Å; Y257-F328 HydrophobicContact CE1-CE2 4Å; Y257-F328 HydrophobicContact CE1-CZ 4.14Å; Y257-F328 HydrophobicContact CG-CZ 4.25Å; R268-F328 HydrophobicContact CG-CD2 3.71Å; R268-F328 HydrophobicContact CG-CE2 3.52Å; R268-F328 HydrophobicContact CG-CG 4.43Å; R268-F328 HydrophobicContact CG-CZ 4.13Å; G273-F328 WeakPolarHBondContact O-CD2 3.49Å; V275-F328 HydrophobicContact CG2-CD2 4.24Å; V275-F328 HydrophobicContact CG2-CE2 3.73Å; H308-F328 AromaticContact CE1-CD2 3.68Å; H308-F328 AromaticContact CE1-CE2 3.85Å; H308-F328 AromaticContact NE2-CD2 3.79Å; D324-F328 WeakPolarHBondContact O-CB 3.4Å; D324-F328 PolarHBondContact O-N 2.89Å; F328-R332 WeakPolarHBondContact O-CB 2.97Å; F328-R332 PolarHBondContact O-N 3.03Å |
| 329 | R | 93.4 | Very high | 93.3 | Very high | 67 Ų | 67 | 46.2 Ų | 46.2 | 25% | 0.253 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -70.4 | -42.2 | -178.4 | -76.5 | -176.2 | -174.6 | -101.1 | -6.3 | 113.7 | F105 E325 R326 I327 R332 K333 | F105-R329 HydrophobicContact CD1-CB 3.74Å; F105-R329 HydrophobicContact CD2-CB 4.05Å; F105-R329 HydrophobicContact CD2-CG 4.4Å; F105-R329 HydrophobicContact CE1-CB 3.8Å; F105-R329 HydrophobicContact CE2-CB 4.1Å; F105-R329 HydrophobicContact CG-CB 3.87Å; F105-R329 HydrophobicContact CG-CG 4.3Å; F105-R329 HydrophobicContact CZ-CB 3.98Å; E325-R329 VanDerWaalsContact O-CB 3.31Å; E325-R329 WeakPolarHBondContact O-CB 3.43Å; E325-R329 VanDerWaalsContact O-CG 3.26Å; E325-R329 WeakPolarHBondContact O-CG 3.41Å; E325-R329 PolarHBondContact O-N 2.92Å; E325-R329 IonicContact OE1-CZ 3.57Å; E325-R329 IonicContact OE1-NE 3.86Å; E325-R329 PolarHBondContact OE1-NE 3.48Å; E325-R329 IonicContact OE1-NH2 2.9Å; E325-R329 PolarHBondContact OE1-NH2 3.34Å; R326-R329 PolarHBondContact O-N 3.22Å; I327-R329 VanDerWaalsContact C-N 3.29Å; I327-R329 PolarHBondContact O-N 2.83Å; R329-R332 PolarHBondContact O-N 3.49Å; R329-K333 WeakPolarHBondContact O-CB 3.39Å; R329-K333 PolarHBondContact O-N 3.35Å |
| 330 | E | 93.6 | Very high | 93.3 | Very high | 22 Ų | 22 | 44.4 Ų | 44.4 | 10% | 0.103 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.3 | -40 | 176 | -67.6 | -76.7 | -160.4 | 0 | 0 | 110.9 | F105 L315 W322 R326 I327 K333 I334 | F105-E330 HydrophobicContact CE1-CG 3.95Å; F105-E330 HydrophobicContact CZ-CG 3.92Å; L315-E330 HydrophobicContact CD1-CB 3.87Å; W322-E330 HydrophobicContact CE3-CG 4.5Å; W322-E330 HydrophobicContact CH2-CG 4.05Å; W322-E330 HydrophobicContact CZ3-CB 3.98Å; W322-E330 HydrophobicContact CZ3-CG 3.71Å; R326-E330 HydrophobicContact CG-CG 4.34Å; R326-E330 IonicContact CZ-OE1 3.56Å; R326-E330 IonicContact NE-OE1 3.73Å; R326-E330 PolarHBondContact NE-OE1 3.32Å; R326-E330 IonicContact NH2-OE1 2.64Å; R326-E330 PolarHBondContact NH2-OE1 3.21Å; R326-E330 WeakPolarHBondContact O-CB 3.42Å; R326-E330 VanDerWaalsContact O-CG 3.3Å; R326-E330 WeakPolarHBondContact O-CG 3.26Å; R326-E330 PolarHBondContact O-N 2.89Å; I327-E330 PolarHBondContact O-N 3Å; E330-K333 WeakPolarHBondContact O-CB 3.44Å; E330-K333 PolarHBondContact O-N 3.44Å; E330-I334 VanDerWaalsContact O-CG1 3.31Å; E330-I334 WeakPolarHBondContact O-CG1 3.38Å; E330-I334 PolarHBondContact O-N 3.15Å |
| 331 | T | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.1 | -47.7 | 170.7 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | H308 I311 A312 I327 K333 I334 I335 | H308-T331 HydrophobicContact CB-CG2 4.14Å; H308-T331 VanDerWaalsContact CE1-CG2 3.45Å; H308-T331 WeakPolarHBondContact CE1-CG2 3.36Å; H308-T331 WeakPolarHBondContact ND1-CG2 3.37Å; H308-T331 VanDerWaalsContact O-CG2 3.25Å; H308-T331 WeakPolarHBondContact O-CG2 3.48Å; I311-T331 HydrophobicContact CB-CG2 3.97Å; I311-T331 HydrophobicContact CG2-CG2 3.84Å; A312-T331 WeakPolarHBondContact CA-OG1 3.29Å; A312-T331 HydrophobicContact CB-CG2 4.23Å; A312-T331 PolarHBondContact N-OG1 3.08Å; I327-T331 VanDerWaalsContact O-CB 3.31Å; I327-T331 WeakPolarHBondContact O-CB 3.08Å; I327-T331 PolarHBondContact O-N 3.36Å; I327-T331 PolarHBondContact O-OG1 3.42Å; T331-K333 VanDerWaalsContact C-N 3.3Å; T331-K333 PolarHBondContact O-N 3Å; T331-I334 PolarHBondContact O-N 3.4Å; T331-I335 HydrophobicContact CG2-CG1 4.06Å; T331-I335 WeakPolarHBondContact O-CB 3.28Å; T331-I335 WeakPolarHBondContact O-CG1 3.38Å; T331-I335 PolarHBondContact O-N 3.25Å |
| 332 | R | 94.5 | Very high | 93.6 | Very high | 16 Ų | 16 | 28.8 Ų | 28.8 | 6% | 0.06 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.5 | -41.1 | 175.3 | 170.3 | 163.6 | 176.6 | -117.9 | -0.1 | 111.9 | R106 T107 D252 Y257 F328 R329 I335 G336 | R106-R332 PolarHBondContact O-NH1 2.04Å; T107-R332 PolarHBondContact O-NH2 3.41Å; D252-R332 IonicContact OD2-CZ 3.74Å; D252-R332 IonicContact OD2-NH2 3.93Å; D252-R332 PolarHBondContact OD2-NH2 3.07Å; Y257-R332 HydrophobicContact CD2-CB 4.27Å; Y257-R332 HydrophobicContact CD2-CG 3.58Å; Y257-R332 HydrophobicContact CE1-CB 4.31Å; Y257-R332 HydrophobicContact CE2-CB 3.83Å; Y257-R332 HydrophobicContact CE2-CG 3.46Å; Y257-R332 VanDerWaalsContact CE2-CG 3.46Å; Y257-R332 HydrophobicContact CG-CG 4.23Å; F328-R332 WeakPolarHBondContact O-CB 2.97Å; F328-R332 PolarHBondContact O-N 3.03Å; R329-R332 PolarHBondContact O-N 3.49Å; R332-I335 PolarHBondContact O-N 3.13Å; R332-G336 PolarHBondContact O-N 3.37Å |
| 333 | K | 93.2 | Very high | 93.7 | Very high | 38 Ų | 38 | 25.2 Ų | 25.2 | 17% | 0.165 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.2 | -46.6 | 175.9 | -170.5 | -168.8 | 169.9 | 178.5 | 0 | 111.5 | F105 R329 E330 T331 A337 S554 E555 F556 | F105-K333 HydrophobicContact CD1-CB 4.37Å; F105-K333 HydrophobicContact CD1-CD 4.37Å; F105-K333 HydrophobicContact CE1-CD 4.21Å; R329-K333 WeakPolarHBondContact O-CB 3.39Å; R329-K333 PolarHBondContact O-N 3.35Å; E330-K333 WeakPolarHBondContact O-CB 3.44Å; E330-K333 PolarHBondContact O-N 3.44Å; T331-K333 VanDerWaalsContact C-N 3.3Å; T331-K333 PolarHBondContact O-N 3Å; K333-A337 WeakPolarHBondContact O-CB 3.33Å; K333-A337 PolarHBondContact O-N 2.78Å; K333-S554 WeakPolarHBondContact CE-O 3.38Å; K333-S554 PolarHBondContact NZ-O 2.89Å; K333-E555 PolarHBondContact NZ-O 2.95Å; K333-F556 HydrophobicContact CD-CE1 4.14Å; K333-F556 HydrophobicContact CD-CZ 3.95Å; K333-F556 HydrophobicContact CG-CE1 4.32Å; K333-F556 HydrophobicContact CG-CE2 4.22Å; K333-F556 HydrophobicContact CG-CZ 3.69Å |
| 334 | I | 94.9 | Very high | 93.5 | Very high | 37 Ų | 37 | 20.5 Ų | 20.5 | 19% | 0.19 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.7 | -45.3 | 177.5 | -65.3 | 165 | 0 | 0 | 0 | 111.3 | I311 L315 E330 T331 G336 A337 Q338 F556 | I311-I334 HydrophobicContact CD1-CG2 3.91Å; I311-I334 HydrophobicContact CG2-CD1 4.14Å; I311-I334 HydrophobicContact CG2-CG2 4.48Å; L315-I334 HydrophobicContact CD1-CD1 4.08Å; E330-I334 VanDerWaalsContact O-CG1 3.31Å; E330-I334 WeakPolarHBondContact O-CG1 3.38Å; E330-I334 PolarHBondContact O-N 3.15Å; T331-I334 PolarHBondContact O-N 3.4Å; I334-G336 VanDerWaalsContact C-N 3.35Å; I334-G336 PolarHBondContact O-N 2.9Å; I334-A337 CarbonylContact O-C 3.54Å; I334-A337 WeakPolarHBondContact O-CB 2.9Å; I334-A337 PolarHBondContact O-N 3.37Å; I334-A337 VanDerWaalsContact O-N 3.14Å; I334-Q338 HydrophobicContact CG2-CG 4.38Å; I334-Q338 WeakPolarHBondContact O-CG 3.42Å; I334-Q338 PolarHBondContact O-N 2.86Å; I334-F556 HydrophobicContact CG1-CE1 4.06Å; I334-F556 HydrophobicContact CG1-CZ 4.41Å |
| 335 | I | 94.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.7 | -43.4 | 178.3 | -67.4 | -73.7 | 0 | 0 | 0 | 111 | A253 I256 Y257 W304 Q307 H308 I311 T331 R332 A337 Q338 I339 | A253-I335 HydrophobicContact CB-CG2 4.27Å; I256-I335 HydrophobicContact CD1-CG2 3.84Å; Y257-I335 HydrophobicContact CE2-CG2 4.28Å; Y257-I335 VanDerWaalsContact OH-CB 3.29Å; Y257-I335 WeakPolarHBondContact OH-CB 3.41Å; Y257-I335 WeakPolarHBondContact OH-CG1 3.15Å; Y257-I335 VanDerWaalsContact OH-CG2 3.3Å; Y257-I335 WeakPolarHBondContact OH-CG2 3.4Å; W304-I335 HydrophobicContact CE3-CD1 4.04Å; W304-I335 HydrophobicContact CE3-CG2 4Å; W304-I335 HydrophobicContact CZ3-CD1 4.09Å; W304-I335 HydrophobicContact CZ3-CG2 4.29Å; Q307-I335 HydrophobicContact CB-CD1 4.17Å; Q307-I335 HydrophobicContact CG-CD1 3.58Å; H308-I335 HydrophobicContact CB-CD1 4.25Å; H308-I335 HydrophobicContact CB-CG1 4.2Å; I311-I335 HydrophobicContact CD1-CD1 3.97Å; T331-I335 HydrophobicContact CG2-CG1 4.06Å; T331-I335 WeakPolarHBondContact O-CB 3.28Å; T331-I335 WeakPolarHBondContact O-CG1 3.38Å; T331-I335 PolarHBondContact O-N 3.25Å; R332-I335 PolarHBondContact O-N 3.13Å; I335-A337 VanDerWaalsContact C-N 3.34Å; I335-A337 PolarHBondContact O-N 3.28Å; I335-Q338 PolarHBondContact O-N 3.5Å; I335-I339 HydrophobicContact CG2-CD1 3.77Å; I335-I339 WeakPolarHBondContact O-CG1 3.46Å; I335-I339 PolarHBondContact O-N 3.43Å |
| 336 | G | 93 | Very high | 93.1 | Very high | 5 Ų | 5 | 20.6 Ų | 20.6 | 5% | 0.052 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -57.3 | -47 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R332 I334 Q338 I339 Q340 | R332-G336 PolarHBondContact O-N 3.37Å; I334-G336 VanDerWaalsContact C-N 3.35Å; I334-G336 PolarHBondContact O-N 2.9Å; G336-Q338 PolarHBondContact O-N 3.25Å; G336-I339 PolarHBondContact O-N 3.05Å; G336-Q340 VanDerWaalsContact O-CB 3.26Å; G336-Q340 WeakPolarHBondContact O-CB 3.41Å; G336-Q340 WeakPolarHBondContact O-CG 3.37Å; G336-Q340 PolarHBondContact O-N 3.39Å |
| 337 | A | 93.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 15.6 Ų | 15.6 | 2% | 0.017 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -62.1 | -37.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | K333 I334 I335 H341 Y547 F556 I564 | K333-A337 WeakPolarHBondContact O-CB 3.33Å; K333-A337 PolarHBondContact O-N 2.78Å; I334-A337 CarbonylContact O-C 3.54Å; I334-A337 WeakPolarHBondContact O-CB 2.9Å; I334-A337 PolarHBondContact O-N 3.37Å; I334-A337 VanDerWaalsContact O-N 3.14Å; I335-A337 VanDerWaalsContact C-N 3.34Å; I335-A337 PolarHBondContact O-N 3.28Å; A337-H341 VanDerWaalsContact O-CB 3.26Å; A337-H341 WeakPolarHBondContact O-CB 3.46Å; A337-H341 PolarHBondContact O-N 2.77Å; A337-Y547 VanDerWaalsContact CB-CB 3.48Å; A337-Y547 HydrophobicContact CB-CG 4.11Å; A337-F556 HydrophobicContact CB-CE2 3.74Å; A337-F556 HydrophobicContact CB-CZ 3.87Å; A337-I564 HydrophobicContact CB-CD1 4.05Å; A337-I564 HydrophobicContact CB-CG2 4.17Å |
| 338 | Q | 94.9 | Very high | 92.9 | Very high | 21 Ų | 21 | 15.6 Ų | 15.6 | 10% | 0.098 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -67 | -44.5 | 175.7 | -71.3 | -164.5 | -52.1 | 0 | 0 | 111.9 | W304 I334 I335 G336 H341 I342 T567 | W304-Q338 HydrophobicContact CH2-CB 4.06Å; W304-Q338 HydrophobicContact CZ3-CB 4.16Å; I334-Q338 HydrophobicContact CG2-CG 4.38Å; I334-Q338 WeakPolarHBondContact O-CG 3.42Å; I334-Q338 PolarHBondContact O-N 2.86Å; I335-Q338 PolarHBondContact O-N 3.5Å; G336-Q338 PolarHBondContact O-N 3.25Å; Q338-H341 PolarHBondContact O-N 2.79Å; Q338-I342 WeakPolarHBondContact O-CB 3.27Å; Q338-I342 WeakPolarHBondContact O-CD1 3.31Å; Q338-I342 VanDerWaalsContact O-CG1 3.27Å; Q338-I342 WeakPolarHBondContact O-CG1 3.4Å; Q338-I342 PolarHBondContact O-N 3.12Å; Q338-T567 HydrophobicContact CB-CG2 4.04Å; Q338-T567 HydrophobicContact CG-CG2 3.87Å; Q338-T567 VanDerWaalsContact NE2-CG2 3.31Å; Q338-T567 PolarHBondContact NE2-OG1 3.39Å |
| 339 | I | 93.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65.7 | -42.8 | 176.5 | -69.4 | 162.9 | 0 | 0 | 0 | 110.8 | W180 F183 A253 I256 W304 I335 G336 T343 | W180-I339 HydrophobicContact CH2-CB 4.46Å; W180-I339 HydrophobicContact CH2-CG1 4.18Å; W180-I339 HydrophobicContact CH2-CG2 4.32Å; W180-I339 HydrophobicContact CZ2-CG2 4.07Å; F183-I339 HydrophobicContact CE1-CD1 3.94Å; F183-I339 HydrophobicContact CE1-CG1 4.26Å; F183-I339 HydrophobicContact CE1-CG2 4.04Å; F183-I339 HydrophobicContact CZ-CD1 3.94Å; A253-I339 HydrophobicContact CB-CD1 3.74Å; I256-I339 HydrophobicContact CD1-CD1 4.04Å; W304-I339 HydrophobicContact CD2-CD1 4.15Å; W304-I339 HydrophobicContact CD2-CG1 4.18Å; W304-I339 HydrophobicContact CE3-CD1 4.14Å; W304-I339 HydrophobicContact CE3-CG1 4.16Å; W304-I339 HydrophobicContact CH2-CG1 3.72Å; W304-I339 HydrophobicContact CZ2-CG1 3.74Å; W304-I339 HydrophobicContact CZ3-CD1 4.34Å; W304-I339 HydrophobicContact CZ3-CG1 3.92Å; I335-I339 HydrophobicContact CG2-CD1 3.77Å; I335-I339 WeakPolarHBondContact O-CG1 3.46Å; I335-I339 PolarHBondContact O-N 3.43Å; G336-I339 PolarHBondContact O-N 3.05Å; I339-T343 VanDerWaalsContact O-CB 3.29Å; I339-T343 WeakPolarHBondContact O-CB 3.17Å; I339-T343 PolarHBondContact O-N 3.07Å; I339-T343 PolarHBondContact O-OG1 3.13Å |
| 340 | Q | 92.1 | Very high | 92.3 | Very high | 4 Ų | 4 | 15.7 Ų | 15.7 | 2% | 0.019 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -58.6 | -51.1 | 173.1 | -78.6 | 177.8 | 11.8 | 0 | 0 | 111.5 | L251 G336 T343 F344 W546 Y547 | L251-Q340 HydrophobicContact CB-CG 3.88Å; L251-Q340 PolarHBondContact O-NE2 3.29Å; G336-Q340 VanDerWaalsContact O-CB 3.26Å; G336-Q340 WeakPolarHBondContact O-CB 3.41Å; G336-Q340 WeakPolarHBondContact O-CG 3.37Å; G336-Q340 PolarHBondContact O-N 3.39Å; Q340-T343 PolarHBondContact O-N 3.36Å; Q340-F344 WeakPolarHBondContact O-CD2 3.24Å; Q340-F344 PolarHBondContact O-N 3.33Å; Q340-W546 HydrophobicContact CB-CE3 4.31Å; Q340-W546 HydrophobicContact CB-CH2 3.9Å; Q340-W546 HydrophobicContact CB-CZ3 3.49Å; Q340-W546 VanDerWaalsContact CB-CZ3 3.49Å; Q340-W546 HydrophobicContact CG-CE3 4.07Å; Q340-W546 HydrophobicContact CG-CH2 4.48Å; Q340-W546 HydrophobicContact CG-CZ3 3.59Å; Q340-W546 VanDerWaalsContact OE1-CE3 3.26Å; Q340-Y547 HydrophobicContact CB-CD1 3.76Å; Q340-Y547 HydrophobicContact CB-CE1 4.35Å |
| 341 | H | 92.1 | Very high | 92.1 | Very high | 5 Ų | 5 | 14.7 Ų | 14.7 | 2% | 0.023 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.6 | -51.7 | 179.6 | -175.9 | 65.7 | 0 | 0 | 0 | 111.6 | A337 Q338 T343 F344 N345 Y547 I564 T567 | A337-H341 VanDerWaalsContact O-CB 3.26Å; A337-H341 WeakPolarHBondContact O-CB 3.46Å; A337-H341 PolarHBondContact O-N 2.77Å; Q338-H341 PolarHBondContact O-N 2.79Å; H341-T343 VanDerWaalsContact C-N 3.26Å; H341-T343 PolarHBondContact O-N 3.14Å; H341-F344 PolarHBondContact O-N 3.03Å; H341-N345 WeakPolarHBondContact O-CA 3.3Å; H341-N345 WeakPolarHBondContact O-CB 3.48Å; H341-N345 PolarHBondContact O-N 3.25Å; H341-Y547 HydrophobicContact CB-CE1 3.89Å; H341-Y547 AromaticContact ND1-CZ 3.54Å; H341-Y547 PolarHBondContact ND1-OH 3.18Å; H341-I564 HydrophobicContact CB-CG2 4.24Å; H341-T567 PolarHBondContact CD2-O 3.36Å; H341-T567 VanDerWaalsContact CD2-O 3.32Å |
| 342 | I | 93 | Very high | 91.8 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -56.4 | -41.5 | 176.5 | -68.8 | 164.6 | 0 | 0 | 0 | 111.2 | W180 W304 Q338 E346 F347 T567 L569 I572 F588 | W180-I342 HydrophobicContact CD2-CG2 4.46Å; W180-I342 HydrophobicContact CH2-CB 4.1Å; W180-I342 HydrophobicContact CH2-CD1 4.19Å; W180-I342 HydrophobicContact CH2-CG2 3.74Å; W180-I342 HydrophobicContact CZ2-CB 3.88Å; W180-I342 HydrophobicContact CZ2-CG2 3.48Å; W180-I342 VanDerWaalsContact CZ2-CG2 3.48Å; W180-I342 HydrophobicContact CZ3-CG2 4.31Å; W304-I342 HydrophobicContact CH2-CD1 3.92Å; W304-I342 HydrophobicContact CZ2-CD1 3.96Å; Q338-I342 WeakPolarHBondContact O-CB 3.27Å; Q338-I342 WeakPolarHBondContact O-CD1 3.31Å; Q338-I342 VanDerWaalsContact O-CG1 3.27Å; Q338-I342 WeakPolarHBondContact O-CG1 3.4Å; Q338-I342 PolarHBondContact O-N 3.12Å; I342-E346 PolarHBondContact O-N 3.38Å; I342-F347 PolarHBondContact O-N 3.29Å; I342-F347 VanDerWaalsContact O-N 3.12Å; I342-T567 HydrophobicContact CD1-CG2 4.07Å; I342-T567 HydrophobicContact CG1-CG2 4.34Å; I342-L569 HydrophobicContact CD1-CB 4.11Å; I342-L569 HydrophobicContact CD1-CD1 4.38Å; I342-L569 HydrophobicContact CG1-CB 4.48Å; I342-L569 HydrophobicContact CG2-CB 3.92Å; I342-L569 HydrophobicContact CG2-CD2 4.44Å; I342-I572 HydrophobicContact CD1-CG1 4Å; I342-F588 HydrophobicContact CG2-CE2 4.24Å; I342-F588 HydrophobicContact CG2-CZ 4.05Å |
| 343 | T | 92.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.075 | C | C | . | . | I | π-helix | trans | -68.1 | -39.2 | -178 | -54.1 | 0 | 0 | 0 | 0 | 112.4 | W180 V184 L251 I339 Q340 H341 F347 L348 I539 | W180-T343 WeakPolarHBondContact CZ2-OG1 3.35Å; W180-T343 PolarHBondContact NE1-OG1 3.24Å; W180-T343 VanDerWaalsContact NE1-OG1 3.14Å; V184-T343 HydrophobicContact CG1-CG2 4.23Å; V184-T343 HydrophobicContact CG2-CG2 3.96Å; L251-T343 HydrophobicContact CD1-CG2 3.82Å; I339-T343 VanDerWaalsContact O-CB 3.29Å; I339-T343 WeakPolarHBondContact O-CB 3.17Å; I339-T343 PolarHBondContact O-N 3.07Å; I339-T343 PolarHBondContact O-OG1 3.13Å; Q340-T343 PolarHBondContact O-N 3.36Å; H341-T343 VanDerWaalsContact C-N 3.26Å; H341-T343 PolarHBondContact O-N 3.14Å; T343-F347 HydrophobicContact CG2-CB 4.5Å; T343-F347 HydrophobicContact CG2-CD1 3.8Å; T343-L348 PolarHBondContact O-N 3.14Å; T343-I539 HydrophobicContact CG2-CD1 4.09Å |
| 344 | F | 90.1 | Very high | 90.5 | Very high | 3 Ų | 3 | 16.1 Ų | 16.1 | 1% | 0.013 | 9% | 0.093 | C | C | . | . | I | π-helix | trans | -89.5 | -15.5 | 179.8 | -77.5 | -84.5 | 0 | 0 | 0 | 114.1 | L251 Q340 H341 L348 M357 M362 L364 F535 V538 I539 W546 | L251-F344 HydrophobicContact CD1-CD2 4.22Å; L251-F344 HydrophobicContact CD1-CE2 3.65Å; Q340-F344 WeakPolarHBondContact O-CD2 3.24Å; Q340-F344 PolarHBondContact O-N 3.33Å; H341-F344 PolarHBondContact O-N 3.03Å; F344-L348 HydrophobicContact CD1-CD1 4.04Å; F344-L348 HydrophobicContact CE1-CD1 3.82Å; F344-M357 HydrophobicContact CD1-CE 4.18Å; F344-M357 WeakPolarHBondContact O-CE 3.44Å; F344-M362 HydrophobicContact CD1-CB 4.35Å; F344-M362 HydrophobicContact CE1-CB 4.48Å; F344-M362 HydrophobicContact CE1-CG 4.48Å; F344-M362 HydrophobicContact CE1-SD 4.29Å; F344-L364 HydrophobicContact CB-CD1 4.03Å; F344-L364 HydrophobicContact CB-CD2 3.72Å; F344-L364 HydrophobicContact CB-CG 4.01Å; F344-F535 HydrophobicContact CE1-CB 3.66Å; F344-F535 HydrophobicContact CE1-CD1 4.45Å; F344-F535 HydrophobicContact CE1-CG 4.48Å; F344-F535 WeakPolarHBondContact CE1-O 3.35Å; F344-F535 HydrophobicContact CE2-CD1 4.14Å; F344-F535 HydrophobicContact CZ-CB 3.62Å; F344-F535 AromaticContact CZ-CD1 3.54Å; F344-F535 HydrophobicContact CZ-CD1 3.54Å; F344-F535 HydrophobicContact CZ-CG 4.04Å; F344-F535 WeakPolarHBondContact CZ-O 3.3Å; F344-V538 HydrophobicContact CE2-CG1 4.31Å; F344-V538 HydrophobicContact CZ-CB 4.22Å; F344-V538 HydrophobicContact CZ-CG1 4.4Å; F344-I539 HydrophobicContact CB-CD1 3.55Å; F344-I539 HydrophobicContact CB-CG1 3.66Å; F344-I539 HydrophobicContact CD1-CB 3.18Å; F344-I539 HydrophobicContact CD1-CD1 2.31Å; F344-I539 HydrophobicContact CD1-CG1 2.3Å; F344-I539 HydrophobicContact CD1-CG2 3.56Å; F344-I539 HydrophobicContact CD2-CB 3.92Å; F344-I539 HydrophobicContact CD2-CD1 2.3Å; F344-I539 HydrophobicContact CD2-CG1 2.31Å; F344-I539 HydrophobicContact CE1-CB 2.72Å; F344-I539 HydrophobicContact CE1-CD1 2.29Å; F344-I539 HydrophobicContact CE1-CG1 2.31Å; F344-I539 HydrophobicContact CE1-CG2 3.7Å; F344-I539 HydrophobicContact CE2-CB 3.54Å; F344-I539 HydrophobicContact CE2-CD1 2.3Å; F344-I539 HydrophobicContact CE2-CG1 2.31Å; F344-I539 HydrophobicContact CG-CB 3.78Å; F344-I539 HydrophobicContact CG-CD1 2.3Å; F344-I539 HydrophobicContact CG-CG1 2.33Å; F344-I539 HydrophobicContact CG-CG2 4.13Å; F344-I539 VanDerWaalsContact CZ-CA 3.46Å; F344-I539 HydrophobicContact CZ-CB 2.91Å; F344-I539 HydrophobicContact CZ-CD1 2.3Å; F344-I539 HydrophobicContact CZ-CG1 2.3Å; F344-I539 HydrophobicContact CZ-CG2 4.32Å; F344-W546 HydrophobicContact CB-CH2 4.17Å; F344-W546 AromaticContact CD2-CH2 3.32Å; F344-W546 HydrophobicContact CD2-CH2 3.32Å; F344-W546 HydrophobicContact CD2-CZ2 4.47Å; F344-W546 AromaticContact CD2-CZ3 3.46Å; F344-W546 HydrophobicContact CD2-CZ3 3.46Å; F344-W546 VanDerWaalsContact CD2-CZ3 3.46Å; F344-W546 HydrophobicContact CE2-CH2 4.21Å; F344-W546 AromaticContact CE2-CZ3 3.82Å; F344-W546 HydrophobicContact CE2-CZ3 3.82Å; F344-W546 AromaticContact CG-CH2 3.83Å; F344-W546 HydrophobicContact CG-CH2 3.83Å; F344-W546 HydrophobicContact CG-CZ3 4.47Å |
| 345 | N | 88.9 | Confident | 89.6 | Confident | 78 Ų | 78 | 21.5 Ų | 21.5 | 42% | 0.417 | 12% | 0.117 | S | C | . | . | I | π-helix | trans | -102.7 | -41.7 | -178.9 | -167.6 | 61.5 | 0 | 0 | 0 | 114.3 | H341 P349 L364 | H341-N345 WeakPolarHBondContact O-CA 3.3Å; H341-N345 WeakPolarHBondContact O-CB 3.48Å; H341-N345 PolarHBondContact O-N 3.25Å; N345-P349 WeakPolarHBondContact O-CG 3.49Å; N345-L364 HydrophobicContact CB-CD1 3.66Å |
| 346 | E | 89.9 | Confident | 88.7 | Confident | 24 Ų | 24 | 22.4 Ų | 22.4 | 11% | 0.112 | 13% | 0.125 | C | C | . | . | I | π-helix | trans | -106.1 | -45.4 | -177.2 | -70.2 | 179.2 | -106.8 | 0 | 0 | 111.8 | I342 T568 L569 F588 | I342-E346 PolarHBondContact O-N 3.38Å; E346-T568 WeakPolarHBondContact OE1-CA 3.27Å; E346-T568 WeakPolarHBondContact OE1-CB 3.45Å; E346-L569 PolarHBondContact OE1-N 2.89Å; E346-F588 HydrophobicContact CB-CD2 3.83Å; E346-F588 HydrophobicContact CB-CE2 3.56Å |
| 347 | F | 91.6 | Very high | 88.1 | Confident | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.018 | 12% | 0.124 | C | C | . | . | I | π-helix | trans | -79.5 | -59.8 | -169.6 | 176.9 | -106.7 | 0 | 0 | 0 | 113.5 | L177 W180 A181 I342 T343 M350 I351 F392 F588 | L177-F347 HydrophobicContact CD1-CD2 3.72Å; L177-F347 HydrophobicContact CD1-CE2 3.89Å; L177-F347 HydrophobicContact CG-CE2 4.4Å; L177-F347 WeakPolarHBondContact O-CE2 3.45Å; W180-F347 HydrophobicContact CB-CD2 4.46Å; W180-F347 AromaticContact CD1-CD2 3.5Å; W180-F347 VanDerWaalsContact CD1-CD2 3.5Å; W180-F347 AromaticContact CD1-CE2 3.99Å; W180-F347 AromaticContact CD1-CG 3.53Å; W180-F347 HydrophobicContact CG-CD2 4.28Å; A181-F347 HydrophobicContact CB-CE2 3.75Å; A181-F347 HydrophobicContact CB-CZ 3.53Å; I342-F347 PolarHBondContact O-N 3.29Å; I342-F347 VanDerWaalsContact O-N 3.12Å; T343-F347 HydrophobicContact CG2-CB 4.5Å; T343-F347 HydrophobicContact CG2-CD1 3.8Å; F347-M350 WeakPolarHBondContact O-CB 3.33Å; F347-M350 PolarHBondContact O-N 3.18Å; F347-M350 VanDerWaalsContact O-N 3.13Å; F347-I351 HydrophobicContact CD1-CG1 4.15Å; F347-I351 HydrophobicContact CD2-CG1 4.03Å; F347-I351 HydrophobicContact CE1-CG1 3.79Å; F347-I351 HydrophobicContact CE2-CD1 3.9Å; F347-I351 HydrophobicContact CE2-CG1 3.64Å; F347-I351 HydrophobicContact CG-CG1 4.27Å; F347-I351 HydrophobicContact CZ-CD1 4.07Å; F347-I351 HydrophobicContact CZ-CG1 3.52Å; F347-I351 PolarHBondContact O-N 3Å; F347-F392 HydrophobicContact CZ-CZ 4.23Å; F347-F588 HydrophobicContact CB-CD2 4.3Å; F347-F588 HydrophobicContact CB-CE2 3.6Å; F347-F588 HydrophobicContact CB-CZ 4.05Å; F347-F588 HydrophobicContact CD2-CE2 4.35Å; F347-F588 HydrophobicContact CD2-CZ 4.33Å; F347-F588 HydrophobicContact CG-CE2 4.48Å |
| 348 | L | 90.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.4 | -34.9 | -175.9 | -79.7 | -155.7 | 0 | 0 | 0 | 115.2 | T343 F344 M350 I351 L352 M357 I531 F535 I539 | T343-L348 PolarHBondContact O-N 3.14Å; F344-L348 HydrophobicContact CD1-CD1 4.04Å; F344-L348 HydrophobicContact CE1-CD1 3.82Å; L348-M350 PolarHBondContact O-N 2.99Å; L348-I351 HydrophobicContact CD2-CB 4.26Å; L348-I351 PolarHBondContact O-N 2.92Å; L348-I351 VanDerWaalsContact O-N 3.11Å; L348-L352 HydrophobicContact CD1-CD1 4.07Å; L348-L352 HydrophobicContact CD2-CD1 4.43Å; L348-L352 PolarHBondContact O-N 3.31Å; L348-M357 HydrophobicContact CB-CE 3.83Å; L348-M357 HydrophobicContact CB-SD 3.65Å; L348-M357 HydrophobicContact CD1-SD 4.24Å; L348-I531 HydrophobicContact CD2-CG2 4.37Å; L348-F535 HydrophobicContact CD1-CB 3.54Å; L348-F535 HydrophobicContact CD1-CD1 4.3Å; L348-F535 HydrophobicContact CD1-CD2 4.03Å; L348-F535 HydrophobicContact CD1-CG 3.71Å; L348-F535 HydrophobicContact CD2-CD2 3.97Å; L348-F535 HydrophobicContact CD2-CE2 4.16Å; L348-F535 HydrophobicContact CD2-CG 4.38Å; L348-I539 HydrophobicContact CD1-CD1 3.39Å; L348-I539 HydrophobicContact CG-CD1 3.84Å |
| 349 | P | 88.5 | Confident | 86.1 | Confident | 32 Ų | 32 | 33.8 Ų | 33.8 | 21% | 0.208 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59 | -32.3 | 173.6 | -28.1 | 38.1 | 0 | 0 | 0 | 113.2 | N345 G353 M357 | N345-P349 WeakPolarHBondContact O-CG 3.49Å; P349-G353 CarbonylContact O-C 3.58Å; P349-G353 WeakPolarHBondContact O-CA 3.25Å; P349-G353 PolarHBondContact O-N 3.38Å; P349-M357 HydrophobicContact CB-CG 4.46Å; P349-M357 HydrophobicContact CG-CE 4.15Å; P349-M357 HydrophobicContact CG-CG 4.22Å |
| 350 | M | 87.3 | Confident | 84.9 | Confident | 38 Ų | 38 | 36.4 Ų | 36.4 | 19% | 0.187 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -73.4 | -47.9 | 169.2 | -65.5 | -179.4 | 67.4 | 0 | 0 | 111.5 | L177 F347 L348 L352 S521 F522 F588 M589 | L177-M350 HydrophobicContact CD1-CB 4.42Å; L177-M350 HydrophobicContact CD1-CE 4.32Å; L177-M350 HydrophobicContact CD1-SD 4.33Å; L177-M350 HydrophobicContact CD2-CE 4.45Å; F347-M350 WeakPolarHBondContact O-CB 3.33Å; F347-M350 PolarHBondContact O-N 3.18Å; F347-M350 VanDerWaalsContact O-N 3.13Å; L348-M350 PolarHBondContact O-N 2.99Å; M350-L352 PolarHBondContact O-N 2.67Å; M350-S521 WeakPolarHBondContact O-CA 3.46Å; M350-F522 HydrophobicContact CB-CD2 4.29Å; M350-F522 HydrophobicContact CB-CE2 4.16Å; M350-F522 HydrophobicContact CE-CE2 3.75Å; M350-F522 HydrophobicContact CE-CZ 3.98Å; M350-F522 WeakPolarHBondContact O-CD2 3.44Å; M350-F522 PolarHBondContact O-N 2.76Å; M350-F588 HydrophobicContact CE-CB 4.11Å; M350-F588 HydrophobicContact SD-CB 3.57Å; M350-F588 VanDerWaalsContact SD-CB 3.57Å; M350-F588 HydrophobicContact SD-CD2 4.36Å; M350-F588 HydrophobicContact SD-CG 4.43Å; M350-M589 HydrophobicContact CE-CG 3.88Å; M350-M589 HydrophobicContact SD-CG 4.27Å |
| 351 | I | 89.9 | Confident | 83.7 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.5 | -38.2 | -175.5 | -63.1 | -51.2 | 0 | 0 | 0 | 113 | L177 F347 L348 F392 S521 F522 I523 I531 | L177-I351 HydrophobicContact CD1-CD1 3.9Å; L177-I351 HydrophobicContact CD2-CD1 4.19Å; L177-I351 HydrophobicContact CG-CD1 4.13Å; F347-I351 HydrophobicContact CD1-CG1 4.15Å; F347-I351 HydrophobicContact CD2-CG1 4.03Å; F347-I351 HydrophobicContact CE1-CG1 3.79Å; F347-I351 HydrophobicContact CE2-CD1 3.9Å; F347-I351 HydrophobicContact CE2-CG1 3.64Å; F347-I351 HydrophobicContact CG-CG1 4.27Å; F347-I351 HydrophobicContact CZ-CD1 4.07Å; F347-I351 HydrophobicContact CZ-CG1 3.52Å; F347-I351 PolarHBondContact O-N 3Å; L348-I351 HydrophobicContact CD2-CB 4.26Å; L348-I351 PolarHBondContact O-N 2.92Å; L348-I351 VanDerWaalsContact O-N 3.11Å; I351-F392 HydrophobicContact CD1-CE2 3.77Å; I351-F392 HydrophobicContact CD1-CZ 3.77Å; I351-F392 HydrophobicContact CG1-CZ 4.18Å; I351-F392 HydrophobicContact CG2-CE2 4.41Å; I351-F392 HydrophobicContact CG2-CZ 4.07Å; I351-S521 PolarHBondContact O-OG 3.44Å; I351-F522 HydrophobicContact CD1-CB 4.13Å; I351-F522 HydrophobicContact CD1-CG 4.44Å; I351-F522 PolarHBondContact O-N 3.11Å; I351-I523 HydrophobicContact CG2-CD1 3.73Å; I351-I523 HydrophobicContact CG2-CG1 4.35Å; I351-I523 WeakPolarHBondContact O-CG1 3.39Å; I351-I531 HydrophobicContact CG2-CG2 4.29Å |
| 352 | L | 88.3 | Confident | 83 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -110.1 | -15.3 | -173.3 | -65.4 | 177.1 | 0 | 0 | 0 | 114.8 | L348 M350 A356 M357 M362 I523 A528 I531 R532 | L348-L352 HydrophobicContact CD1-CD1 4.07Å; L348-L352 HydrophobicContact CD2-CD1 4.43Å; L348-L352 PolarHBondContact O-N 3.31Å; M350-L352 PolarHBondContact O-N 2.67Å; L352-A356 HydrophobicContact CB-CB 4.06Å; L352-A356 WeakPolarHBondContact O-CB 3.2Å; L352-M357 HydrophobicContact CD1-SD 4.37Å; L352-M362 HydrophobicContact CD1-CE 3.63Å; L352-I523 HydrophobicContact CD2-CD1 4.02Å; L352-A528 HydrophobicContact CD2-CB 4.04Å; L352-I531 HydrophobicContact CD1-CG2 4.3Å; L352-I531 HydrophobicContact CD2-CB 4.2Å; L352-I531 HydrophobicContact CD2-CG2 3.82Å; L352-I531 HydrophobicContact CG-CG2 4.23Å; L352-R532 HydrophobicContact CD1-CB 4.17Å; L352-R532 HydrophobicContact CD2-CB 4.37Å |
| 353 | G | 83.4 | Confident | 82.1 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | trans | 79.8 | 142.8 | -167.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P349 E355 A356 M357 G520 | P349-G353 CarbonylContact O-C 3.58Å; P349-G353 WeakPolarHBondContact O-CA 3.25Å; P349-G353 PolarHBondContact O-N 3.38Å; G353-E355 VanDerWaalsContact C-N 3.27Å; G353-E355 PolarHBondContact O-N 2.77Å; G353-A356 PolarHBondContact O-N 3.31Å; G353-A356 VanDerWaalsContact O-N 3.09Å; G353-M357 PolarHBondContact O-N 3.3Å; G353-G520 WeakPolarHBondContact CA-O 3.16Å | ||
| 354 | S | 78 | Confident | 81.5 | Confident | 78 Ų | 78 | 45.1 Ų | 45.1 | 55% | 0.545 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.5 | -34 | -175.4 | -49.9 | 0 | 0 | 0 | 0 | 114 | A356 M357 E358 | S354-A356 VanDerWaalsContact C-N 3.33Å; S354-A356 PolarHBondContact O-N 2.82Å; S354-M357 WeakPolarHBondContact O-CB 3.35Å; S354-M357 PolarHBondContact O-N 2.98Å; S354-M357 VanDerWaalsContact O-N 3.14Å; S354-E358 PolarHBondContact O-N 2.7Å; S354-E358 VanDerWaalsContact O-N 3.08Å |
| 355 | E | 76 | Confident | 80.7 | Confident | 149 Ų | 149 | 48 Ų | 48 | 70% | 0.696 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -63.1 | -37.5 | 177.5 | -176.4 | 176.3 | -179.5 | 0 | 0 | 112.1 | G353 M357 E358 N359 | G353-E355 VanDerWaalsContact C-N 3.27Å; G353-E355 PolarHBondContact O-N 2.77Å; E355-M357 VanDerWaalsContact C-N 3.31Å; E355-M357 PolarHBondContact O-N 2.69Å; E355-E358 PolarHBondContact O-N 2.94Å; E355-N359 WeakPolarHBondContact O-CB 3.49Å; E355-N359 PolarHBondContact O-N 2.8Å; E355-N359 PolarHBondContact O-ND2 2.73Å; E355-N359 VanDerWaalsContact O-ND2 3.12Å |
| 356 | A | 76 | Confident | 79.7 | Confident | 19 Ų | 19 | 50 Ų | 50 | 16% | 0.157 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71.4 | -26.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L352 G353 S354 | L352-A356 HydrophobicContact CB-CB 4.06Å; L352-A356 WeakPolarHBondContact O-CB 3.2Å; G353-A356 PolarHBondContact O-N 3.31Å; G353-A356 VanDerWaalsContact O-N 3.09Å; S354-A356 VanDerWaalsContact C-N 3.33Å; S354-A356 PolarHBondContact O-N 2.82Å |
| 357 | M | 81.2 | Confident | 78.3 | Confident | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.03 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.5 | -41.5 | 173.9 | -63 | -67.1 | -72.1 | 0 | 0 | 111.7 | F344 L348 P349 L352 G353 S354 E355 M362 A363 | F344-M357 HydrophobicContact CD1-CE 4.18Å; F344-M357 WeakPolarHBondContact O-CE 3.44Å; L348-M357 HydrophobicContact CB-CE 3.83Å; L348-M357 HydrophobicContact CB-SD 3.65Å; L348-M357 HydrophobicContact CD1-SD 4.24Å; P349-M357 HydrophobicContact CB-CG 4.46Å; P349-M357 HydrophobicContact CG-CE 4.15Å; P349-M357 HydrophobicContact CG-CG 4.22Å; L352-M357 HydrophobicContact CD1-SD 4.37Å; G353-M357 PolarHBondContact O-N 3.3Å; S354-M357 WeakPolarHBondContact O-CB 3.35Å; S354-M357 PolarHBondContact O-N 2.98Å; S354-M357 VanDerWaalsContact O-N 3.14Å; E355-M357 VanDerWaalsContact C-N 3.31Å; E355-M357 PolarHBondContact O-N 2.69Å; M357-M362 HydrophobicContact CE-CB 3.93Å; M357-M362 PolarHBondContact O-N 2.78Å; M357-M362 HydrophobicContact SD-CB 4.02Å; M357-M362 HydrophobicContact SD-CE 3.87Å; M357-A363 PolarHBondContact O-N 2.91Å |
| 358 | E | 73.6 | Confident | 76.9 | Confident | 147 Ų | 147 | 54.1 Ų | 54.1 | 69% | 0.687 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -68.2 | -50.4 | 176.3 | -69.5 | -171.4 | -179.1 | 0 | 0 | 111.8 | S354 E355 E360 K361 | S354-E358 PolarHBondContact O-N 2.7Å; S354-E358 VanDerWaalsContact O-N 3.08Å; E355-E358 PolarHBondContact O-N 2.94Å; E358-E360 PolarHBondContact O-N 3.44Å; E358-E360 VanDerWaalsContact O-N 3.15Å; E358-K361 PolarHBondContact O-N 3.34Å |
| 359 | N | 71.5 | Confident | 75.9 | Confident | 115 Ų | 115 | 55.3 Ų | 55.3 | 62% | 0.615 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -59 | -30.4 | -173.7 | -81.1 | -36.6 | 0 | 0 | 0 | 114.4 | E355 | E355-N359 WeakPolarHBondContact O-CB 3.49Å; E355-N359 PolarHBondContact O-N 2.8Å; E355-N359 PolarHBondContact O-ND2 2.73Å; E355-N359 VanDerWaalsContact O-ND2 3.12Å |
| 360 | E | 68.1 | Low | 75 | Confident | 56 Ų | 56 | 54.6 Ų | 54.6 | 26% | 0.262 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 10.8 | -179.4 | -63.5 | -74.7 | 150.6 | 0 | 0 | 113.5 | E358 M362 R532 | E358-E360 PolarHBondContact O-N 3.44Å; E358-E360 VanDerWaalsContact O-N 3.15Å; E360-M362 HydrophobicContact CB-CE 4.24Å; E360-M362 HydrophobicContact CB-CG 4.19Å; E360-M362 PolarHBondContact O-N 2.92Å; E360-R532 HydrophobicContact CB-CG 4.45Å; E360-R532 HydrophobicContact CG-CG 3.74Å; E360-R532 IonicContact OE1-CZ 2.74Å; E360-R532 IonicContact OE1-NE 3.03Å; E360-R532 IonicContact OE1-NH1 2.65Å; E360-R532 PolarHBondContact OE1-NH1 3.3Å; E360-R532 IonicContact OE1-NH2 3.83Å; E360-R532 PolarHBondContact OE1-NH2 2.79Å; E360-R532 IonicContact OE2-CZ 2.7Å; E360-R532 IonicContact OE2-NH1 3.92Å; E360-R532 PolarHBondContact OE2-NH1 2.99Å; E360-R532 IonicContact OE2-NH2 3.82Å |
| 361 | K | 67.9 | Low | 73.7 | Confident | 112 Ų | 112 | 53.1 Ų | 53.1 | 49% | 0.487 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 25.4 | -175.3 | -47.9 | 177.2 | 177.8 | -179.2 | 0 | 114.7 | E358 A363 E372 V540 | E358-K361 PolarHBondContact O-N 3.34Å; K361-A363 VanDerWaalsContact C-N 3.26Å; K361-E372 VanDerWaalsContact CD-OE1 3.27Å; K361-E372 WeakPolarHBondContact CD-OE1 3.47Å; K361-E372 VanDerWaalsContact CD-OE2 3.26Å; K361-E372 WeakPolarHBondContact CD-OE2 3.49Å; K361-E372 WeakPolarHBondContact CE-OE1 3.37Å; K361-E372 IonicContact NZ-OE1 2.64Å; K361-E372 PolarHBondContact NZ-OE1 2.89Å; K361-E372 IonicContact NZ-OE2 2.72Å; K361-E372 PolarHBondContact NZ-OE2 3.27Å; K361-V540 HydrophobicContact CB-CG1 4.36Å; K361-V540 WeakPolarHBondContact O-CG2 3.38Å |
| 362 | M | 77.2 | Confident | 72.5 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | -79.2 | -12.5 | 173.4 | -63.1 | -172.4 | -60.2 | 0 | 0 | 112.5 | F344 L352 M357 E360 L364 R532 F535 A536 V540 | F344-M362 HydrophobicContact CD1-CB 4.35Å; F344-M362 HydrophobicContact CE1-CB 4.48Å; F344-M362 HydrophobicContact CE1-CG 4.48Å; F344-M362 HydrophobicContact CE1-SD 4.29Å; L352-M362 HydrophobicContact CD1-CE 3.63Å; M357-M362 HydrophobicContact CE-CB 3.93Å; M357-M362 PolarHBondContact O-N 2.78Å; M357-M362 HydrophobicContact SD-CB 4.02Å; M357-M362 HydrophobicContact SD-CE 3.87Å; E360-M362 HydrophobicContact CB-CE 4.24Å; E360-M362 HydrophobicContact CB-CG 4.19Å; E360-M362 PolarHBondContact O-N 2.92Å; M362-L364 PolarHBondContact O-N 2.95Å; M362-R532 HydrophobicContact CE-CB 4.42Å; M362-R532 HydrophobicContact CE-CG 3.77Å; M362-F535 HydrophobicContact SD-CB 4.29Å; M362-A536 HydrophobicContact CG-CB 4.2Å; M362-A536 HydrophobicContact SD-CB 3.93Å; M362-A536 PolarHBondContact SD-N 3.39Å; M362-A536 VanDerWaalsContact SD-N 3.44Å; M362-V540 HydrophobicContact CB-CG2 4.34Å; M362-V540 HydrophobicContact CG-CG2 3.73Å | ||
| 363 | A | 74.6 | Confident | 71.7 | Confident | 45 Ų | 45 | 57.8 Ų | 57.8 | 37% | 0.372 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -60.3 | 123.2 | 170 | 0 | 0 | 0 | 0 | 0 | 111.3 | M357 K361 | M357-A363 PolarHBondContact O-N 2.91Å; K361-A363 VanDerWaalsContact C-N 3.26Å |
| 364 | L | 79.3 | Confident | 71.2 | Confident | 34 Ų | 34 | 60.9 Ų | 60.9 | 18% | 0.178 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 149.4 | -179.8 | -61.8 | 174.4 | 0 | 0 | 0 | 112.1 | F344 N345 M362 W546 Y547 | F344-L364 HydrophobicContact CB-CD1 4.03Å; F344-L364 HydrophobicContact CB-CD2 3.72Å; F344-L364 HydrophobicContact CB-CG 4.01Å; N345-L364 HydrophobicContact CB-CD1 3.66Å; M362-L364 PolarHBondContact O-N 2.95Å; L364-W546 HydrophobicContact CD2-CH2 4.2Å; L364-W546 HydrophobicContact CD2-CZ2 3.61Å; L364-Y547 HydrophobicContact CD2-CE1 4.25Å |
| 365 | K | 72.6 | Confident | 71.1 | Confident | 64 Ų | 64 | 61 Ų | 61 | 28% | 0.278 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 128.5 | 177.8 | -59.8 | -65.2 | -179.3 | 175.9 | 0 | 109.7 | N367 E548 R565 E627 | K365-N367 VanDerWaalsContact C-N 3.29Å; K365-N367 WeakPolarHBondContact CB-O 3.33Å; K365-N367 PolarHBondContact O-N 2.83Å; K365-E548 PolarHBondContact N-OE2 3.47Å; K365-R565 PolarHBondContact O-NE 3.14Å; K365-R565 PolarHBondContact O-NH2 3.26Å; K365-E627 IonicContact NZ-OE1 2.71Å; K365-E627 PolarHBondContact NZ-OE1 3.15Å |
| 366 | T | 67.5 | Low | 71.3 | Confident | 119 Ų | 119 | 60.2 Ų | 60.2 | 73% | 0.73 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -69.2 | -29.1 | 175.9 | 53.3 | 0 | 0 | 0 | 0 | 112.4 | ||
| 367 | N | 60.5 | Low | 71.3 | Confident | 88 Ų | 88 | 63.7 Ų | 63.7 | 47% | 0.471 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -142.6 | 163.8 | 173.5 | 63.8 | 1.6 | 0 | 0 | 0 | 112 | K365 | K365-N367 VanDerWaalsContact C-N 3.29Å; K365-N367 WeakPolarHBondContact CB-O 3.33Å; K365-N367 PolarHBondContact O-N 2.83Å |
| 368 | S | 62.9 | Low | 71.5 | Confident | 27 Ų | 27 | 65.1 Ų | 65.1 | 19% | 0.189 | 33% | 0.334 | C | S | . | . | S | Bend | trans | 57.8 | -163.2 | -174.9 | 76.3 | 0 | 0 | 0 | 0 | 115.2 | R565 Y691 | S368-R565 PolarHBondContact O-NH1 2.71Å; S368-R565 VanDerWaalsContact O-NH1 3.08Å; S368-R565 PolarHBondContact O-NH2 2.99Å; S368-Y691 VanDerWaalsContact CB-CE1 3.47Å; S368-Y691 VanDerWaalsContact CB-CZ 3.48Å; S368-Y691 WeakPolarHBondContact CB-OH 3.31Å; S368-Y691 PolarHBondContact OG-OH 3.06Å |
| 369 | F | 69.7 | Low | 72.2 | Confident | 26 Ų | 26 | 58.1 Ų | 58.1 | 11% | 0.114 | 30% | 0.301 | C | S | . | . | trans | -98.7 | 146.6 | -175 | -64 | -93.6 | 0 | 0 | 0 | 111.7 | E548 F550 F556 L561 | F369-E548 CarbonylContact C-O 3.5Å; F369-E548 WeakPolarHBondContact CA-O 3.46Å; F369-F550 HydrophobicContact CB-CB 4.05Å; F369-F550 HydrophobicContact CD1-CB 3.71Å; F369-F550 HydrophobicContact CD2-CB 4.4Å; F369-F550 HydrophobicContact CE1-CB 4.22Å; F369-F550 HydrophobicContact CG-CB 3.82Å; F369-F556 VanDerWaalsContact CE1-O 3.25Å; F369-F556 WeakPolarHBondContact CE1-O 3.45Å; F369-F556 WeakPolarHBondContact CZ-O 3.26Å; F369-L561 HydrophobicContact CD1-CD1 3.67Å; F369-L561 HydrophobicContact CE1-CD1 3.61Å; F369-L561 HydrophobicContact CG-CD1 4.23Å; F369-L561 HydrophobicContact CZ-CD1 4.12Å | ||
| 370 | S | 69.8 | Low | 73 | Confident | 17 Ų | 17 | 52.9 Ų | 52.9 | 12% | 0.119 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -74.2 | 165.4 | 155.8 | 76.4 | 0 | 0 | 0 | 0 | 110.2 | W546 E548 | S370-W546 VanDerWaalsContact OG-CD1 3.24Å; S370-W546 PolarHBondContact OG-NE1 2.67Å; S370-E548 PolarHBondContact N-O 3.05Å; S370-E548 WeakPolarHBondContact OG-CB 3.16Å; S370-E548 PolarHBondContact OG-O 3.29Å |
| 371 | G | 59.3 | Low | 74.2 | Confident | 6 Ų | 6 | 50.2 Ų | 50.2 | 6% | 0.062 | 26% | 0.261 | C | S | . | . | trans | -170.4 | 28.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y373 R634 | G371-Y373 PolarHBondContact O-N 2.84Å; G371-R634 PolarHBondContact O-NH1 2.89Å; G371-R634 PolarHBondContact O-NH2 3.4Å | ||
| 372 | E | 65.3 | Low | 75.4 | Confident | 61 Ų | 61 | 44.9 Ų | 44.9 | 29% | 0.285 | 24% | 0.238 | S | C | . | . | trans | -85 | 24.5 | -178.7 | -55.6 | -156.8 | 171.5 | 0 | 0 | 113.3 | K361 D374 V540 R541 | K361-E372 VanDerWaalsContact CD-OE1 3.27Å; K361-E372 WeakPolarHBondContact CD-OE1 3.47Å; K361-E372 VanDerWaalsContact CD-OE2 3.26Å; K361-E372 WeakPolarHBondContact CD-OE2 3.49Å; K361-E372 WeakPolarHBondContact CE-OE1 3.37Å; K361-E372 IonicContact NZ-OE1 2.64Å; K361-E372 PolarHBondContact NZ-OE1 2.89Å; K361-E372 IonicContact NZ-OE2 2.72Å; K361-E372 PolarHBondContact NZ-OE2 3.27Å; E372-D374 PolarHBondContact O-N 3.35Å; E372-V540 HydrophobicContact CB-CG1 4.18Å; E372-R541 HydrophobicContact CB-CG 3.97Å; E372-R541 VanDerWaalsContact O-CA 3.31Å; E372-R541 WeakPolarHBondContact O-CA 3.25Å; E372-R541 WeakPolarHBondContact O-CB 3.38Å; E372-R541 WeakPolarHBondContact O-CG 3.31Å; E372-R541 IonicContact OE2-NE 3.25Å | ||
| 373 | Y | 71.9 | Confident | 76.2 | Confident | 40 Ų | 40 | 44.9 Ų | 44.9 | 16% | 0.157 | 24% | 0.238 | C | C | . | . | trans | -66.3 | 122.4 | -178.9 | 179 | -102.4 | 0 | 0 | 0 | 112.5 | N113 G371 M375 R541 R544 F551 | N113-Y373 PolarHBondContact O-OH 3.07Å; G371-Y373 PolarHBondContact O-N 2.84Å; Y373-M375 HydrophobicContact CD1-CG 4.18Å; Y373-M375 HydrophobicContact CE1-CG 3.45Å; Y373-M375 VanDerWaalsContact CE1-CG 3.45Å; Y373-M375 HydrophobicContact CE1-SD 4.21Å; Y373-R541 CarbonylContact C-O 3.45Å; Y373-R541 WeakPolarHBondContact CA-O 3.33Å; Y373-R544 HydrophobicContact CE2-CB 3.91Å; Y373-R544 VanDerWaalsContact CE2-N 3.32Å; Y373-F551 HydrophobicContact CD1-CD2 4.43Å; Y373-F551 AromaticContact CD1-CE2 3.62Å; Y373-F551 HydrophobicContact CD1-CE2 3.62Å; Y373-F551 AromaticContact CD1-CZ 3.71Å; Y373-F551 HydrophobicContact CD1-CZ 3.71Å; Y373-F551 AromaticContact CG-CE2 3.62Å; Y373-F551 HydrophobicContact CG-CE2 3.62Å; Y373-F551 HydrophobicContact CG-CZ 4.05Å | ||
| 374 | D | 72.4 | Confident | 77.2 | Confident | 69 Ų | 69 | 42.8 Ų | 42.8 | 37% | 0.369 | 22% | 0.22 | S | C | . | . | trans | -114.4 | 138.9 | 177.3 | -164.6 | -27.9 | 0 | 0 | 0 | 109 | E372 E376 R541 | E372-D374 PolarHBondContact O-N 3.35Å; D374-E376 PolarHBondContact OD1-N 2.64Å; D374-R541 PolarHBondContact N-O 3.22Å | ||
| 375 | M | 76.2 | Confident | 77.9 | Confident | 81 Ų | 81 | 41.3 Ų | 41.3 | 40% | 0.399 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -99.1 | -12.1 | -179.4 | -66 | -177.9 | -64.7 | 0 | 0 | 113.1 | N114 V116 Y373 | N114-M375 PolarHBondContact ND2-O 3.15Å; V116-M375 HydrophobicContact CG2-CB 3.87Å; V116-M375 HydrophobicContact CG2-CE 4.46Å; V116-M375 HydrophobicContact CG2-CG 4.49Å; V116-M375 HydrophobicContact CG2-SD 4.05Å; Y373-M375 HydrophobicContact CD1-CG 4.18Å; Y373-M375 HydrophobicContact CE1-CG 3.45Å; Y373-M375 VanDerWaalsContact CE1-CG 3.45Å; Y373-M375 HydrophobicContact CE1-SD 4.21Å |
| 376 | E | 79.5 | Confident | 78.9 | Confident | 132 Ų | 132 | 38.3 Ų | 38.3 | 62% | 0.617 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -90.2 | -14.3 | -177.5 | -55.8 | -60.9 | 130.7 | 0 | 0 | 112.5 | W120 D374 | W120-E376 WeakPolarHBondContact CH2-O 3.49Å; W120-E376 WeakPolarHBondContact CZ3-O 3.33Å; D374-E376 PolarHBondContact OD1-N 2.64Å |
| 377 | E | 76.9 | Confident | 80.1 | Confident | 92 Ų | 92 | 32.6 Ų | 32.6 | 43% | 0.43 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -98.7 | 151.5 | -179.4 | -95.2 | -79.3 | -160.2 | 0 | 0 | 113.8 | W120 P379 H542 | W120-E377 VanDerWaalsContact CZ3-C 3.42Å; W120-E377 VanDerWaalsContact CZ3-O 3.27Å; W120-E377 WeakPolarHBondContact CZ3-O 3.46Å; E377-P379 VanDerWaalsContact O-CD 3.23Å; E377-P379 WeakPolarHBondContact O-CD 2.84Å; E377-H542 WeakPolarHBondContact CB-CD2 3.38Å; E377-H542 WeakPolarHBondContact CB-NE2 3.4Å |
| 378 | N | 84.7 | Confident | 81.7 | Confident | 37 Ų | 37 | 28.5 Ų | 28.5 | 20% | 0.198 | 14% | 0.143 | C | C | . | . | trans | -98.8 | 109.4 | -167.1 | -173.5 | -8.4 | 0 | 0 | 0 | 112.8 | W120 S380 K537 | W120-N378 HydrophobicContact CD2-CB 4.04Å; W120-N378 HydrophobicContact CE3-CB 3.87Å; W120-N378 HydrophobicContact CH2-CB 4.33Å; W120-N378 HydrophobicContact CZ3-CB 4.02Å; N378-S380 VanDerWaalsContact C-N 3.26Å; N378-S380 PolarHBondContact O-N 3.37Å; N378-S380 VanDerWaalsContact OD1-CB 3.24Å; N378-S380 WeakPolarHBondContact OD1-CB 2.99Å; N378-S380 PolarHBondContact OD1-N 2.95Å; N378-S380 PolarHBondContact OD1-OG 3.22Å; N378-K537 PolarHBondContact O-NZ 2.53Å | ||
| 379 | P | 87.5 | Confident | 83.1 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -68.5 | -14 | 177.6 | 24.9 | -35 | 0 | 0 | 0 | 115.3 | W120 F250 E377 V381 H542 | W120-P379 HydrophobicContact CB-CG 4.11Å; F250-P379 HydrophobicContact CE1-CB 3.56Å; F250-P379 HydrophobicContact CE1-CG 3.97Å; F250-P379 HydrophobicContact CZ-CB 3.95Å; F250-P379 HydrophobicContact CZ-CG 3.9Å; E377-P379 VanDerWaalsContact O-CD 3.23Å; E377-P379 WeakPolarHBondContact O-CD 2.84Å; P379-V381 PolarHBondContact O-N 3.32Å; P379-H542 HydrophobicContact CB-CB 3.75Å; P379-H542 HydrophobicContact CG-CB 4.28Å | ||
| 380 | S | 90.1 | Very high | 84.1 | Confident | 5 Ų | 5 | 26 Ų | 26 | 4% | 0.035 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -56.9 | 130.1 | -173.4 | -47 | 0 | 0 | 0 | 0 | 110.8 | G121 S128 S249 N378 L382 | G121-S380 PolarHBondContact N-OG 3.39Å; S128-S380 VanDerWaalsContact CB-O 3.25Å; S128-S380 WeakPolarHBondContact CB-O 3.36Å; S128-S380 PolarHBondContact OG-O 2.94Å; S249-S380 WeakPolarHBondContact OG-CA 3.27Å; N378-S380 VanDerWaalsContact C-N 3.26Å; N378-S380 PolarHBondContact O-N 3.37Å; N378-S380 VanDerWaalsContact OD1-CB 3.24Å; N378-S380 WeakPolarHBondContact OD1-CB 2.99Å; N378-S380 PolarHBondContact OD1-N 2.95Å; N378-S380 PolarHBondContact OD1-OG 3.22Å; S380-L382 PolarHBondContact O-N 3.38Å |
| 381 | V | 92.6 | Very high | 85 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | P | Polyproline II helix | trans | -50.9 | 139.2 | -173.2 | 167.7 | 0 | 0 | 0 | 0 | 111.9 | F127 S128 L188 V189 S249 P379 Y385 A386 | F127-V381 CarbonylContact C-O 3.49Å; F127-V381 VanDerWaalsContact CA-O 3.29Å; F127-V381 WeakPolarHBondContact CA-O 3.29Å; F127-V381 VanDerWaalsContact CB-O 3.31Å; F127-V381 WeakPolarHBondContact CB-O 3.12Å; F127-V381 HydrophobicContact CD1-CB 4.02Å; F127-V381 HydrophobicContact CD1-CG1 4.05Å; F127-V381 WeakPolarHBondContact CD1-O 3.44Å; F127-V381 HydrophobicContact CE1-CB 4.34Å; F127-V381 HydrophobicContact CE1-CG1 4.23Å; S128-V381 PolarHBondContact N-O 3.22Å; L188-V381 HydrophobicContact CB-CG2 4.04Å; L188-V381 HydrophobicContact CD2-CG2 4.3Å; V189-V381 HydrophobicContact CG2-CG1 3.88Å; S249-V381 PolarHBondContact OG-N 3.35Å; S249-V381 VanDerWaalsContact OG-N 3.15Å; P379-V381 PolarHBondContact O-N 3.32Å; V381-Y385 HydrophobicContact CG1-CD1 3.76Å; V381-A386 HydrophobicContact CG1-CB 4.21Å |
| 382 | L | 93.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | B | Isolated β-bridge | trans | -63.9 | 129.1 | 175.9 | -64.7 | 174.8 | 0 | 0 | 0 | 110.4 | S128 L130 S380 E384 Y385 A386 K533 Q534 K537 | S128-L382 CarbonylContact O-C 3.59Å; S128-L382 WeakPolarHBondContact O-CA 3.49Å; L130-L382 HydrophobicContact CD1-CD1 4.13Å; L130-L382 HydrophobicContact CD2-CD1 3.68Å; L130-L382 HydrophobicContact CD2-CD2 3.64Å; L130-L382 HydrophobicContact CD2-CG 4.33Å; L130-L382 HydrophobicContact CG-CD1 3.83Å; L130-L382 HydrophobicContact CG-CD2 3.87Å; L130-L382 HydrophobicContact CG-CG 4.4Å; S380-L382 PolarHBondContact O-N 3.38Å; L382-E384 PolarHBondContact O-N 3.03Å; L382-Y385 WeakPolarHBondContact O-CA 3.25Å; L382-Y385 WeakPolarHBondContact O-CB 3.31Å; L382-Y385 PolarHBondContact O-N 3.43Å; L382-A386 PolarHBondContact O-N 2.85Å; L382-K533 HydrophobicContact CD1-CB 4.03Å; L382-Q534 HydrophobicContact CD1-CB 4.04Å; L382-K537 HydrophobicContact CD2-CD 4.34Å |
| 383 | N | 93.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.4 | -28.6 | 178.8 | -152.1 | 9 | 0 | 0 | 0 | 111.3 | F127 S128 R129 Q243 Y385 A386 A387 H464 I466 | F127-N383 HydrophobicContact CB-CB 3.7Å; F127-N383 WeakPolarHBondContact CD2-OD1 3.37Å; F127-N383 HydrophobicContact CG-CB 4.36Å; S128-N383 WeakPolarHBondContact O-CB 3.19Å; S128-N383 PolarHBondContact O-N 2.81Å; R129-N383 HydrophobicContact CG-CB 4.09Å; R129-N383 VanDerWaalsContact CZ-ND2 3.28Å; R129-N383 PolarHBondContact NH1-ND2 3.12Å; R129-N383 VanDerWaalsContact NH1-ND2 3.14Å; R129-N383 PolarHBondContact NH2-ND2 2.83Å; Q243-N383 PolarHBondContact OE1-ND2 3.37Å; N383-Y385 VanDerWaalsContact C-N 3.34Å; N383-A386 PolarHBondContact O-N 2.87Å; N383-A387 WeakPolarHBondContact O-CB 3.39Å; N383-A387 PolarHBondContact O-N 2.71Å; N383-H464 PolarHBondContact OD1-ND1 2.84Å; N383-I466 HydrophobicContact CB-CD1 4Å; N383-I466 WeakPolarHBondContact O-CD1 3.38Å |
| 384 | E | 94.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -71.8 | -25.4 | 174.2 | -56 | 90.3 | 159.4 | 0 | 0 | 113 | R129 L130 V131 L382 A388 A389 I466 M472 L508 I530 | R129-E384 WeakPolarHBondContact CA-OE2 3.32Å; L130-E384 WeakPolarHBondContact CA-OE1 3.21Å; L130-E384 VanDerWaalsContact N-CD 3.28Å; L130-E384 PolarHBondContact N-OE1 3.49Å; L130-E384 PolarHBondContact N-OE2 3.15Å; L130-E384 VanDerWaalsContact N-OE2 3.12Å; V131-E384 PolarHBondContact N-OE1 2.83Å; L382-E384 PolarHBondContact O-N 3.03Å; E384-A388 WeakPolarHBondContact O-CB 3.42Å; E384-A388 PolarHBondContact O-N 2.86Å; E384-A389 PolarHBondContact O-N 2.86Å; E384-I466 HydrophobicContact CG-CD1 4.3Å; E384-I466 HydrophobicContact CG-CG2 4.38Å; E384-M472 HydrophobicContact CB-CE 4.47Å; E384-M472 HydrophobicContact CG-CE 3.72Å; E384-L508 HydrophobicContact CB-CD2 4.25Å; E384-I530 HydrophobicContact CB-CG2 4.08Å |
| 385 | Y | 94.5 | Very high | 87.4 | Confident | 4 Ų | 4 | 21.3 Ų | 21.3 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -75.8 | -54.2 | 166.1 | 175.3 | -95.3 | 0 | 0 | 0 | 109.6 | Y185 L188 V189 V381 L382 N383 A387 A388 A389 G390 I531 Q534 F535 | Y185-Y385 AromaticContact CD2-CE1 3.99Å; Y185-Y385 HydrophobicContact CD2-CE1 3.99Å; L188-Y385 HydrophobicContact CD1-CE1 4.16Å; V189-Y385 HydrophobicContact CG2-CD1 4.1Å; V189-Y385 HydrophobicContact CG2-CE1 3.99Å; V381-Y385 HydrophobicContact CG1-CD1 3.76Å; L382-Y385 WeakPolarHBondContact O-CA 3.25Å; L382-Y385 WeakPolarHBondContact O-CB 3.31Å; L382-Y385 PolarHBondContact O-N 3.43Å; N383-Y385 VanDerWaalsContact C-N 3.34Å; Y385-A387 PolarHBondContact O-N 2.77Å; Y385-A388 PolarHBondContact O-N 3.02Å; Y385-A389 PolarHBondContact O-N 2.84Å; Y385-G390 WeakPolarHBondContact O-CA 3.34Å; Y385-G390 PolarHBondContact O-N 2.86Å; Y385-I531 HydrophobicContact CD2-CG1 3.84Å; Y385-I531 HydrophobicContact CE2-CG1 3.93Å; Y385-Q534 HydrophobicContact CD1-CG 3.99Å; Y385-Q534 HydrophobicContact CD2-CB 4.08Å; Y385-Q534 HydrophobicContact CD2-CG 3.9Å; Y385-Q534 HydrophobicContact CE1-CG 4.35Å; Y385-Q534 HydrophobicContact CE2-CG 4.28Å; Y385-Q534 HydrophobicContact CG-CB 4.14Å; Y385-Q534 HydrophobicContact CG-CG 3.75Å; Y385-F535 AromaticContact CE2-CE2 3.83Å; Y385-F535 HydrophobicContact CE2-CE2 3.83Å; Y385-F535 HydrophobicContact CE2-CZ 4.35Å |
| 386 | A | 93.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.6 | -39.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | F127 Y185 V189 I191 V381 L382 N383 | F127-A386 HydrophobicContact CD1-CB 3.78Å; F127-A386 HydrophobicContact CE1-CB 3.43Å; F127-A386 VanDerWaalsContact CE1-CB 3.43Å; F127-A386 HydrophobicContact CE2-CB 4.4Å; F127-A386 HydrophobicContact CG-CB 4.4Å; F127-A386 HydrophobicContact CZ-CB 3.79Å; Y185-A386 PolarHBondContact OH-O 3.44Å; V189-A386 HydrophobicContact CG1-CB 3.74Å; V189-A386 HydrophobicContact CG2-CB 3.96Å; I191-A386 HydrophobicContact CD1-CB 4.31Å; V381-A386 HydrophobicContact CG1-CB 4.21Å; L382-A386 PolarHBondContact O-N 2.85Å; N383-A386 PolarHBondContact O-N 2.87Å |
| 387 | A | 92.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 2.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | N383 Y385 H464 I466 | N383-A387 WeakPolarHBondContact O-CB 3.39Å; N383-A387 PolarHBondContact O-N 2.71Å; Y385-A387 PolarHBondContact O-N 2.77Å; A387-H464 HydrophobicContact CB-CB 4.21Å; A387-I466 HydrophobicContact CB-CD1 4.21Å; A387-I466 HydrophobicContact CB-CG1 3.99Å |
| 388 | A | 93 | Very high | 86.3 | Confident | 2 Ų | 2 | 11 Ų | 11 | 2% | 0.017 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -148.8 | -77.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E384 Y385 G390 L391 L508 L509 | E384-A388 WeakPolarHBondContact O-CB 3.42Å; E384-A388 PolarHBondContact O-N 2.86Å; Y385-A388 PolarHBondContact O-N 3.02Å; A388-G390 PolarHBondContact O-N 3.05Å; A388-L391 WeakPolarHBondContact O-CB 3.15Å; A388-L391 PolarHBondContact O-N 3.15Å; A388-L508 HydrophobicContact CB-CB 4.28Å; A388-L508 HydrophobicContact CB-CD2 3.92Å; A388-L508 HydrophobicContact CB-CG 3.95Å; A388-L509 HydrophobicContact CB-CB 4.11Å |
| 389 | A | 92.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | G | 310 helix | trans | -66.3 | -33.9 | -163.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | E384 Y385 L391 F392 F527 I530 I531 | E384-A389 PolarHBondContact O-N 2.86Å; Y385-A389 PolarHBondContact O-N 2.84Å; A389-L391 PolarHBondContact O-N 2.83Å; A389-F392 WeakPolarHBondContact O-CB 3.31Å; A389-F392 WeakPolarHBondContact O-CD1 3.26Å; A389-F392 PolarHBondContact O-N 2.93Å; A389-F527 HydrophobicContact CB-CB 4.47Å; A389-F527 HydrophobicContact CB-CD1 3.76Å; A389-F527 HydrophobicContact CB-CD2 4.36Å; A389-F527 HydrophobicContact CB-CE1 3.99Å; A389-F527 HydrophobicContact CB-CG 3.95Å; A389-F527 HydrophobicContact CB-CZ 4.4Å; A389-I530 HydrophobicContact CB-CB 3.76Å; A389-I530 HydrophobicContact CB-CD1 3.82Å; A389-I530 HydrophobicContact CB-CG1 4.44Å; A389-I530 HydrophobicContact CB-CG2 3.63Å; A389-I531 HydrophobicContact CB-CD1 4.41Å; A389-I531 HydrophobicContact CB-CG1 4.18Å; A389-I531 WeakPolarHBondContact O-CD1 3.49Å |
| 390 | G | 90.5 | Very high | 83.9 | Confident | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | -67.7 | -18.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | Y185 Y385 A388 F392 F393 | Y185-G390 WeakPolarHBondContact CD2-O 3.24Å; Y385-G390 WeakPolarHBondContact O-CA 3.34Å; Y385-G390 PolarHBondContact O-N 2.86Å; A388-G390 PolarHBondContact O-N 3.05Å; G390-F392 PolarHBondContact O-N 3.17Å; G390-F393 WeakPolarHBondContact O-CD1 3.08Å; G390-F393 VanDerWaalsContact O-CE1 3.31Å; G390-F393 WeakPolarHBondContact O-CE1 3.14Å |
| 391 | L | 89.1 | Confident | 82.6 | Confident | 4 Ų | 4 | 14.9 Ų | 14.9 | 2% | 0.021 | 8% | 0.083 | C | C | . | . | G | 310 helix | trans | -80.9 | 1.2 | 178.7 | -61.3 | 165.7 | 0 | 0 | 0 | 113.2 | Y185 A388 A389 F393 Y394 F457 M460 | Y185-L391 HydrophobicContact CE1-CD2 4.03Å; Y185-L391 HydrophobicContact CE2-CD2 3.83Å; Y185-L391 HydrophobicContact CE2-CG 4.12Å; Y185-L391 VanDerWaalsContact CZ-CD2 3.49Å; Y185-L391 WeakPolarHBondContact OH-CD2 3.15Å; A388-L391 WeakPolarHBondContact O-CB 3.15Å; A388-L391 PolarHBondContact O-N 3.15Å; A389-L391 PolarHBondContact O-N 2.83Å; L391-F393 PolarHBondContact O-N 3.4Å; L391-F393 VanDerWaalsContact O-N 3.07Å; L391-Y394 HydrophobicContact CB-CD2 4.36Å; L391-Y394 HydrophobicContact CD2-CD2 4.25Å; L391-Y394 HydrophobicContact CD2-CE2 3.94Å; L391-Y394 WeakPolarHBondContact O-CD2 3.25Å; L391-Y394 PolarHBondContact O-N 3.45Å; L391-F457 HydrophobicContact CB-CD2 4.48Å; L391-F457 HydrophobicContact CB-CE2 4.45Å; L391-F457 HydrophobicContact CD1-CB 4.06Å; L391-F457 HydrophobicContact CD1-CD1 3.96Å; L391-F457 HydrophobicContact CD1-CD2 3.92Å; L391-F457 HydrophobicContact CD1-CE1 4.32Å; L391-F457 HydrophobicContact CD1-CE2 4.29Å; L391-F457 HydrophobicContact CD1-CG 3.75Å; L391-F457 HydrophobicContact CD1-CZ 4.47Å; L391-F457 HydrophobicContact CD2-CD2 4.45Å; L391-F457 HydrophobicContact CD2-CE1 4.05Å; L391-F457 HydrophobicContact CD2-CE2 3.98Å; L391-F457 HydrophobicContact CD2-CZ 3.76Å; L391-F457 HydrophobicContact CG-CE2 4.49Å; L391-M460 HydrophobicContact CD1-CE 3.95Å |
| 392 | F | 86.4 | Confident | 81.2 | Confident | 7 Ų | 7 | 19.3 Ų | 19.3 | 3% | 0.031 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -55.7 | -28.6 | -175.7 | 80.8 | -74.4 | 0 | 0 | 0 | 114.1 | A181 F347 I351 A389 G390 Y394 S395 L396 L513 I523 F527 I531 | A181-F392 HydrophobicContact CB-CE1 4.2Å; A181-F392 HydrophobicContact CB-CZ 3.94Å; F347-F392 HydrophobicContact CZ-CZ 4.23Å; I351-F392 HydrophobicContact CD1-CE2 3.77Å; I351-F392 HydrophobicContact CD1-CZ 3.77Å; I351-F392 HydrophobicContact CG1-CZ 4.18Å; I351-F392 HydrophobicContact CG2-CE2 4.41Å; I351-F392 HydrophobicContact CG2-CZ 4.07Å; A389-F392 WeakPolarHBondContact O-CB 3.31Å; A389-F392 WeakPolarHBondContact O-CD1 3.26Å; A389-F392 PolarHBondContact O-N 2.93Å; G390-F392 PolarHBondContact O-N 3.17Å; F392-Y394 PolarHBondContact O-N 3.22Å; F392-Y394 VanDerWaalsContact O-N 3.13Å; F392-S395 PolarHBondContact O-N 3.38Å; F392-S395 PolarHBondContact O-OG 2.92Å; F392-L396 HydrophobicContact CD2-CD1 4.06Å; F392-L396 HydrophobicContact CD2-CG 4.37Å; F392-L396 HydrophobicContact CE2-CD1 3.61Å; F392-L396 HydrophobicContact CE2-CG 4.4Å; F392-L513 HydrophobicContact CB-CD2 4.22Å; F392-I523 HydrophobicContact CD2-CG2 3.57Å; F392-I523 HydrophobicContact CE2-CG2 4Å; F392-I523 HydrophobicContact CG-CG2 4.13Å; F392-F527 HydrophobicContact CB-CD2 4.06Å; F392-F527 HydrophobicContact CB-CE2 4.08Å; F392-I531 HydrophobicContact CD1-CD1 3.86Å; F392-I531 HydrophobicContact CE1-CD1 4.03Å; F392-I531 HydrophobicContact CG-CD1 4.5Å |
| 393 | F | 83 | Confident | 79.7 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -61.6 | -24.6 | -177.7 | 65.1 | -96.9 | 0 | 0 | 0 | 113.5 | A181 Q182 Y185 G390 L391 S395 L396 M397 | A181-F393 HydrophobicContact CB-CB 3.44Å; A181-F393 VanDerWaalsContact CB-CB 3.44Å; A181-F393 HydrophobicContact CB-CD1 4.3Å; A181-F393 HydrophobicContact CB-CG 4.11Å; Q182-F393 HydrophobicContact CB-CD2 3.74Å; Q182-F393 HydrophobicContact CB-CE1 4.47Å; Q182-F393 HydrophobicContact CB-CE2 3.51Å; Q182-F393 HydrophobicContact CB-CG 4.33Å; Q182-F393 HydrophobicContact CB-CZ 3.91Å; Q182-F393 HydrophobicContact CG-CD2 4.29Å; Q182-F393 HydrophobicContact CG-CE2 3.54Å; Q182-F393 HydrophobicContact CG-CZ 3.74Å; Y185-F393 AromaticContact CD1-CE1 3.91Å; Y185-F393 HydrophobicContact CD1-CE1 3.91Å; Y185-F393 HydrophobicContact CD1-CZ 4.13Å; Y185-F393 HydrophobicContact CD2-CE1 4.21Å; Y185-F393 AromaticContact CG-CE1 3.65Å; Y185-F393 HydrophobicContact CG-CE1 3.65Å; Y185-F393 HydrophobicContact CG-CZ 4.32Å; G390-F393 WeakPolarHBondContact O-CD1 3.08Å; G390-F393 VanDerWaalsContact O-CE1 3.31Å; G390-F393 WeakPolarHBondContact O-CE1 3.14Å; L391-F393 PolarHBondContact O-N 3.4Å; L391-F393 VanDerWaalsContact O-N 3.07Å; F393-S395 PolarHBondContact O-N 3.31Å; F393-L396 PolarHBondContact O-N 3.44Å; F393-M397 HydrophobicContact CD2-CE 4Å; F393-M397 HydrophobicContact CE2-CE 4.34Å; F393-M397 WeakPolarHBondContact O-CG 3.42Å |
| 394 | Y | 76.6 | Confident | 77.8 | Confident | 14 Ų | 14 | 23.5 Ų | 23.5 | 6% | 0.055 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -63.8 | -15.1 | 174 | -75 | -73.3 | 0 | 0 | 0 | 113.6 | Y40 L391 F392 M397 F438 L453 M454 F457 | Y40-Y394 PolarHBondContact OH-OH 2.91Å; L391-Y394 HydrophobicContact CB-CD2 4.36Å; L391-Y394 HydrophobicContact CD2-CD2 4.25Å; L391-Y394 HydrophobicContact CD2-CE2 3.94Å; L391-Y394 WeakPolarHBondContact O-CD2 3.25Å; L391-Y394 PolarHBondContact O-N 3.45Å; F392-Y394 PolarHBondContact O-N 3.22Å; F392-Y394 VanDerWaalsContact O-N 3.13Å; Y394-M397 HydrophobicContact CD1-SD 4.38Å; Y394-F438 HydrophobicContact CD1-CD1 4.29Å; Y394-F438 AromaticContact CD1-CE1 3.53Å; Y394-F438 HydrophobicContact CD1-CE1 3.53Å; Y394-F438 HydrophobicContact CD1-CE2 4.36Å; Y394-F438 AromaticContact CD1-CZ 3.56Å; Y394-F438 HydrophobicContact CD1-CZ 3.56Å; Y394-F438 AromaticContact CE1-CE1 3.57Å; Y394-F438 HydrophobicContact CE1-CE1 3.57Å; Y394-F438 AromaticContact CE1-CZ 3.67Å; Y394-F438 HydrophobicContact CE1-CZ 3.67Å; Y394-L453 HydrophobicContact CD1-CD2 4.13Å; Y394-L453 HydrophobicContact CE1-CD2 3.85Å; Y394-M454 HydrophobicContact CG-CE 4.4Å; Y394-F457 AromaticContact CD2-CE2 3.53Å; Y394-F457 HydrophobicContact CD2-CE2 3.53Å; Y394-F457 AromaticContact CD2-CZ 3.96Å; Y394-F457 HydrophobicContact CD2-CZ 3.96Å; Y394-F457 AromaticContact CE2-CE2 3.59Å; Y394-F457 HydrophobicContact CE2-CE2 3.59Å; Y394-F457 AromaticContact CE2-CZ 3.49Å; Y394-F457 HydrophobicContact CE2-CZ 3.49Å; Y394-F457 VanDerWaalsContact CE2-CZ 3.49Å; Y394-F457 HydrophobicContact CG-CE2 4.17Å; Y394-F457 AromaticContact CZ-CZ 3.98Å |
| 395 | S | 72.6 | Confident | 75.8 | Confident | 69 Ų | 69 | 28.4 Ų | 28.4 | 48% | 0.483 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -98.8 | -12.6 | 170.2 | 74.5 | 0 | 0 | 0 | 0 | 114.1 | F392 F393 M397 L513 | F392-S395 PolarHBondContact O-N 3.38Å; F392-S395 PolarHBondContact O-OG 2.92Å; F393-S395 PolarHBondContact O-N 3.31Å; S395-M397 PolarHBondContact O-N 2.83Å; S395-L513 WeakPolarHBondContact OG-CD2 3.42Å |
| 396 | L | 73.8 | Confident | 74.1 | Confident | 45 Ų | 45 | 30.3 Ų | 30.3 | 24% | 0.236 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -80.7 | 3.6 | 170.7 | -64.1 | -172.8 | 0 | 0 | 0 | 113 | L177 A178 F392 F393 P398 F522 | L177-L396 HydrophobicContact CD2-CD1 4.09Å; L177-L396 HydrophobicContact CG-CD1 4.45Å; A178-L396 HydrophobicContact CB-CB 3.81Å; F392-L396 HydrophobicContact CD2-CD1 4.06Å; F392-L396 HydrophobicContact CD2-CG 4.37Å; F392-L396 HydrophobicContact CE2-CD1 3.61Å; F392-L396 HydrophobicContact CE2-CG 4.4Å; F393-L396 PolarHBondContact O-N 3.44Å; L396-P398 WeakPolarHBondContact O-CD 3.47Å; L396-F522 HydrophobicContact CD1-CD1 4.4Å; L396-F522 HydrophobicContact CD2-CD1 4.08Å |
| 397 | M | 70.9 | Confident | 72.7 | Confident | 9 Ų | 9 | 38.1 Ų | 38.1 | 4% | 0.044 | 20% | 0.2 | C | C | . | . | trans | -94 | 112.5 | 172.3 | -72.2 | -158.9 | -174.6 | 0 | 0 | 107 | L175 A178 F393 Y394 S395 F412 I434 F438 | L175-M397 HydrophobicContact CD1-CG 4.44Å; A178-M397 HydrophobicContact CB-CG 4.34Å; F393-M397 HydrophobicContact CD2-CE 4Å; F393-M397 HydrophobicContact CE2-CE 4.34Å; F393-M397 WeakPolarHBondContact O-CG 3.42Å; Y394-M397 HydrophobicContact CD1-SD 4.38Å; S395-M397 PolarHBondContact O-N 2.83Å; M397-F412 HydrophobicContact SD-CE1 4.41Å; M397-I434 CarbonylContact C-O 3.58Å; M397-I434 HydrophobicContact CB-CB 3.61Å; M397-I434 HydrophobicContact CB-CD1 3.71Å; M397-I434 HydrophobicContact CB-CG1 3.97Å; M397-I434 HydrophobicContact CB-CG2 3.71Å; M397-I434 HydrophobicContact CG-CB 4.45Å; M397-I434 HydrophobicContact CG-CD1 3.84Å; M397-I434 HydrophobicContact CG-CG1 4.32Å; M397-I434 HydrophobicContact CG-CG2 4.49Å; M397-I434 HydrophobicContact SD-CD1 4.31Å; M397-I434 HydrophobicContact SD-CG1 4.32Å; M397-I434 HydrophobicContact SD-CG2 4.2Å; M397-F438 HydrophobicContact SD-CE2 3.79Å; M397-F438 HydrophobicContact SD-CZ 4.1Å | ||
| 398 | P | 64.8 | Low | 71.3 | Confident | 36 Ų | 36 | 45.5 Ų | 45.5 | 23% | 0.234 | 23% | 0.228 | C | C | . | . | trans | -125.8 | 115.7 | -174 | 37.5 | -24 | 0 | 0 | 0 | 118.2 | L396 S433 I434 | L396-P398 WeakPolarHBondContact O-CD 3.47Å; P398-S433 CarbonylContact O-C 3.51Å; P398-S433 VanDerWaalsContact O-CA 3.26Å; P398-S433 WeakPolarHBondContact O-CA 3.39Å; P398-S433 WeakPolarHBondContact O-CB 3.43Å; P398-S433 PolarHBondContact O-OG 3.25Å; P398-I434 CarbonylContact C-O 3.5Å; P398-I434 WeakPolarHBondContact CA-O 3.12Å; P398-I434 PolarHBondContact O-N 2.69Å | ||
| 399 | E | 59.8 | Low | 70 | Confident | 62 Ų | 62 | 49.8 Ų | 49.8 | 29% | 0.29 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 49 | -96.8 | -170.7 | -146.4 | 52.5 | -140.6 | 0 | 0 | 125.4 | I434 G435 S436 | E399-I434 VanDerWaalsContact C-CA 3.41Å; E399-I434 PolarHBondContact N-O 2.75Å; E399-I434 CarbonylContact O-C 3.6Å; E399-I434 WeakPolarHBondContact O-CA 3.41Å; E399-I434 PolarHBondContact O-N 3.22Å; E399-G435 PolarHBondContact O-N 2.68Å; E399-G435 VanDerWaalsContact OE2-CA 3.24Å; E399-G435 WeakPolarHBondContact OE2-CA 3.49Å; E399-S436 PolarHBondContact OE1-OG 2.7Å; E399-S436 PolarHBondContact OE2-N 2.73Å |
| 400 | N | 63.2 | Low | 68.7 | Low | 60 Ų | 60 | 51.4 Ų | 51.4 | 32% | 0.321 | 26% | 0.264 | S | S | . | . | trans | -131 | 141.5 | -172.2 | -71.1 | -71.3 | 0 | 0 | 0 | 115 | F402 T409 S433 Q437 | N400-F402 PolarHBondContact O-N 2.94Å; N400-T409 HydrophobicContact CB-CG2 3.41Å; N400-T409 VanDerWaalsContact CB-CG2 3.41Å; N400-S433 VanDerWaalsContact C-CB 3.46Å; N400-S433 CarbonylContact C-O 3.58Å; N400-S433 WeakPolarHBondContact O-CB 3.37Å; N400-Q437 PolarHBondContact OD1-NE2 3.36Å | ||
| 401 | M | 63 | Low | 67.4 | Low | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 117.9 | -173.7 | 176 | -172.3 | -52.6 | 0 | 0 | 111.6 | L403 T409 V410 F412 T415 V431 I432 S433 | M401-L403 HydrophobicContact CG-CD2 3.88Å; M401-L403 HydrophobicContact SD-CD2 3.55Å; M401-L403 VanDerWaalsContact SD-CD2 3.55Å; M401-T409 CarbonylContact O-C 3.57Å; M401-T409 VanDerWaalsContact O-CA 3.31Å; M401-T409 WeakPolarHBondContact O-CA 3.36Å; M401-V410 HydrophobicContact CB-CG2 3.76Å; M401-V410 WeakPolarHBondContact CB-O 3.46Å; M401-V410 HydrophobicContact CG-CG2 3.91Å; M401-V410 PolarHBondContact N-O 3.44Å; M401-V410 PolarHBondContact O-N 3.36Å; M401-V410 HydrophobicContact SD-CG2 3.68Å; M401-F412 HydrophobicContact CB-CD2 4.36Å; M401-F412 HydrophobicContact CE-CD2 3.24Å; M401-F412 HydrophobicContact CE-CE2 3.55Å; M401-F412 HydrophobicContact CE-CG 4.27Å; M401-T415 HydrophobicContact CE-CG2 3.66Å; M401-T415 HydrophobicContact SD-CG2 4.22Å; M401-V431 HydrophobicContact CE-CG1 3.62Å; M401-V431 HydrophobicContact CE-CG2 4.28Å; M401-V431 HydrophobicContact CG-CB 4.44Å; M401-V431 HydrophobicContact CG-CG1 3.93Å; M401-V431 HydrophobicContact SD-CB 4.31Å; M401-V431 HydrophobicContact SD-CG1 3.87Å; M401-V431 HydrophobicContact SD-CG2 3.83Å; M401-I432 WeakPolarHBondContact CA-O 3.44Å; M401-S433 WeakPolarHBondContact CA-O 3.37Å; M401-S433 PolarHBondContact N-O 3.31Å |
| 402 | F | 63.2 | Low | 66.2 | Low | 94 Ų | 94 | 52.8 Ų | 52.8 | 41% | 0.412 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 134.5 | 169.2 | -175.8 | -116.3 | 0 | 0 | 0 | 111 | N400 P404 I432 | N400-F402 PolarHBondContact O-N 2.94Å; F402-P404 VanDerWaalsContact C-CD 3.5Å; F402-P404 HydrophobicContact CD1-CG 3.85Å; F402-P404 HydrophobicContact CE1-CB 4.11Å; F402-P404 HydrophobicContact CE1-CG 3.87Å; F402-P404 VanDerWaalsContact O-CD 3.23Å; F402-P404 WeakPolarHBondContact O-CD 3.48Å; F402-I432 PolarHBondContact N-O 3.4Å; F402-I432 VanDerWaalsContact N-O 3.13Å |
| 403 | L | 62.7 | Low | 65 | Low | 22 Ų | 22 | 52.7 Ų | 52.7 | 12% | 0.115 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 81.6 | 178.2 | -57 | -175.9 | 0 | 0 | 0 | 110.3 | M401 K405 S406 E407 R408 V410 D430 | M401-L403 HydrophobicContact CG-CD2 3.88Å; M401-L403 HydrophobicContact SD-CD2 3.55Å; M401-L403 VanDerWaalsContact SD-CD2 3.55Å; L403-K405 PolarHBondContact O-N 2.83Å; L403-S406 VanDerWaalsContact CB-OG 3.25Å; L403-S406 WeakPolarHBondContact CB-OG 3.18Å; L403-S406 PolarHBondContact O-N 2.84Å; L403-S406 PolarHBondContact O-OG 3.15Å; L403-E407 PolarHBondContact O-N 2.93Å; L403-R408 WeakPolarHBondContact CB-O 3.15Å; L403-R408 HydrophobicContact CD1-CB 4.39Å; L403-R408 PolarHBondContact N-O 3.23Å; L403-V410 HydrophobicContact CD1-CG1 3.65Å; L403-V410 HydrophobicContact CD1-CG2 4.08Å; L403-V410 HydrophobicContact CD2-CG2 4.19Å; L403-V410 HydrophobicContact CG-CG1 4.28Å; L403-V410 HydrophobicContact CG-CG2 4.08Å; L403-D430 WeakPolarHBondContact CA-OD2 3.29Å; L403-D430 HydrophobicContact CB-CB 4.47Å; L403-D430 HydrophobicContact CD2-CB 4.24Å; L403-D430 WeakPolarHBondContact CD2-O 3.48Å |
| 404 | P | 53.2 | Low | 64 | Low | 66 Ų | 66 | 56.3 Ų | 56.3 | 43% | 0.429 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -39.1 | -49.2 | -178 | -29.9 | 26.6 | 0 | 0 | 0 | 117.3 | F402 S406 E407 D430 | F402-P404 VanDerWaalsContact C-CD 3.5Å; F402-P404 HydrophobicContact CD1-CG 3.85Å; F402-P404 HydrophobicContact CE1-CB 4.11Å; F402-P404 HydrophobicContact CE1-CG 3.87Å; F402-P404 VanDerWaalsContact O-CD 3.23Å; F402-P404 WeakPolarHBondContact O-CD 3.48Å; P404-S406 PolarHBondContact O-N 3.41Å; P404-E407 PolarHBondContact O-N 3.47Å; P404-D430 WeakPolarHBondContact CB-OD1 3.33Å; P404-D430 VanDerWaalsContact CD-CG 3.43Å; P404-D430 WeakPolarHBondContact CD-OD1 3.39Å; P404-D430 VanDerWaalsContact N-OD2 3.1Å |
| 405 | K | 52.8 | Low | 63.4 | Low | 103 Ų | 103 | 55.6 Ų | 55.6 | 45% | 0.448 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -65.8 | -20.8 | -177.9 | -79.8 | -179.1 | 178.6 | 164.2 | 0 | 114.1 | L403 E429 D430 | L403-K405 PolarHBondContact O-N 2.83Å; K405-E429 WeakPolarHBondContact CE-OE2 3.1Å; K405-E429 IonicContact NZ-OE1 2.8Å; K405-E429 PolarHBondContact NZ-OE1 3.41Å; K405-E429 IonicContact NZ-OE2 2.99Å; K405-E429 PolarHBondContact NZ-OE2 3.34Å; K405-D430 PolarHBondContact N-OD1 3.33Å; K405-D430 PolarHBondContact N-OD2 3.31Å |
| 406 | S | 59.1 | Low | 62.9 | Low | 44 Ų | 44 | 53.1 Ų | 53.1 | 31% | 0.308 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -111.9 | -4.5 | -178.9 | 70.7 | 0 | 0 | 0 | 0 | 114 | L403 P404 R408 | L403-S406 VanDerWaalsContact CB-OG 3.25Å; L403-S406 WeakPolarHBondContact CB-OG 3.18Å; L403-S406 PolarHBondContact O-N 2.84Å; L403-S406 PolarHBondContact O-OG 3.15Å; P404-S406 PolarHBondContact O-N 3.41Å; S406-R408 PolarHBondContact O-N 3.49Å; S406-R408 WeakPolarHBondContact OG-CB 3.41Å; S406-R408 PolarHBondContact OG-N 2.84Å |
| 407 | E | 62.5 | Low | 62.3 | Low | 164 Ų | 164 | 53.3 Ų | 53.3 | 77% | 0.766 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 15.1 | -168.4 | -58.1 | -171.6 | 154.9 | 0 | 0 | 114.5 | L403 P404 | L403-E407 PolarHBondContact O-N 2.93Å; P404-E407 PolarHBondContact O-N 3.47Å |
| 408 | R | 64.9 | Low | 61.8 | Low | 154 Ų | 154 | 55.2 Ų | 55.2 | 58% | 0.581 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 144.6 | -177.6 | -68.5 | 174.9 | -179.2 | -171.3 | -1 | 111.7 | L403 S406 V410 | L403-R408 WeakPolarHBondContact CB-O 3.15Å; L403-R408 HydrophobicContact CD1-CB 4.39Å; L403-R408 PolarHBondContact N-O 3.23Å; S406-R408 PolarHBondContact O-N 3.49Å; S406-R408 WeakPolarHBondContact OG-CB 3.41Å; S406-R408 PolarHBondContact OG-N 2.84Å; R408-V410 HydrophobicContact CB-CG1 4.5Å |
| 409 | T | 64.9 | Low | 61.4 | Low | 93 Ų | 93 | 54.9 Ų | 54.9 | 57% | 0.571 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 116.2 | 164.6 | -61.8 | 0 | 0 | 0 | 0 | 107.9 | N400 M401 | N400-T409 HydrophobicContact CB-CG2 3.41Å; N400-T409 VanDerWaalsContact CB-CG2 3.41Å; M401-T409 CarbonylContact O-C 3.57Å; M401-T409 VanDerWaalsContact O-CA 3.31Å; M401-T409 WeakPolarHBondContact O-CA 3.36Å |
| 410 | V | 65.5 | Low | 61.3 | Low | 33 Ų | 33 | 58.1 Ų | 58.1 | 20% | 0.2 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 145.1 | 178.1 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | M401 L403 R408 F412 T415 | M401-V410 HydrophobicContact CB-CG2 3.76Å; M401-V410 WeakPolarHBondContact CB-O 3.46Å; M401-V410 HydrophobicContact CG-CG2 3.91Å; M401-V410 PolarHBondContact N-O 3.44Å; M401-V410 PolarHBondContact O-N 3.36Å; M401-V410 HydrophobicContact SD-CG2 3.68Å; L403-V410 HydrophobicContact CD1-CG1 3.65Å; L403-V410 HydrophobicContact CD1-CG2 4.08Å; L403-V410 HydrophobicContact CD2-CG2 4.19Å; L403-V410 HydrophobicContact CG-CG1 4.28Å; L403-V410 HydrophobicContact CG-CG2 4.08Å; R408-V410 HydrophobicContact CB-CG1 4.5Å; V410-F412 PolarHBondContact O-N 2.87Å; V410-T415 HydrophobicContact CG2-CG2 4.06Å |
| 411 | A | 63.4 | Low | 61 | Low | 33 Ų | 33 | 57.2 Ų | 57.2 | 27% | 0.273 | 30% | 0.296 | S | S | . | . | trans | -65.1 | 121.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | A413 S414 | A411-A413 PolarHBondContact O-N 3.35Å; A411-S414 PolarHBondContact O-N 2.92Å; A411-S414 PolarHBondContact O-OG 3.02Å | ||
| 412 | F | 64.6 | Low | 60.4 | Low | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -60.5 | -35.5 | -175.1 | -171.4 | -95 | 0 | 0 | 0 | 112.1 | T294 M397 M401 V410 S414 T415 F416 V431 I434 Q437 F438 | T294-F412 HydrophobicContact CG2-CE1 3.52Å; T294-F412 HydrophobicContact CG2-CZ 3.5Å; M397-F412 HydrophobicContact SD-CE1 4.41Å; M401-F412 HydrophobicContact CB-CD2 4.36Å; M401-F412 HydrophobicContact CE-CD2 3.24Å; M401-F412 HydrophobicContact CE-CE2 3.55Å; M401-F412 HydrophobicContact CE-CG 4.27Å; V410-F412 PolarHBondContact O-N 2.87Å; F412-S414 PolarHBondContact O-N 2.87Å; F412-T415 WeakPolarHBondContact O-CA 3.11Å; F412-T415 WeakPolarHBondContact O-CB 3.42Å; F412-T415 PolarHBondContact O-N 3.34Å; F412-T415 PolarHBondContact O-OG1 2.79Å; F412-F416 AromaticContact CD1-CE1 3.83Å; F412-F416 HydrophobicContact CD1-CE1 3.83Å; F412-F416 HydrophobicContact CD1-CZ 4.17Å; F412-F416 HydrophobicContact CE1-CD1 4.42Å; F412-F416 AromaticContact CE1-CE1 3.75Å; F412-F416 HydrophobicContact CE1-CE1 3.75Å; F412-F416 HydrophobicContact CE1-CZ 4.46Å; F412-V431 HydrophobicContact CE2-CG1 4.39Å; F412-I434 HydrophobicContact CB-CB 3.98Å; F412-I434 HydrophobicContact CB-CG1 3.65Å; F412-I434 HydrophobicContact CB-CG2 4.05Å; F412-I434 HydrophobicContact CD1-CB 4.1Å; F412-I434 HydrophobicContact CD1-CG1 3.42Å; F412-I434 VanDerWaalsContact CD1-CG1 3.42Å; F412-I434 HydrophobicContact CD1-CG2 3.67Å; F412-I434 HydrophobicContact CD2-CB 4.36Å; F412-I434 HydrophobicContact CD2-CD1 3.92Å; F412-I434 HydrophobicContact CD2-CG1 3.16Å; F412-I434 HydrophobicContact CE1-CG1 3.68Å; F412-I434 HydrophobicContact CE1-CG2 4.24Å; F412-I434 HydrophobicContact CE2-CD1 3.82Å; F412-I434 HydrophobicContact CE2-CG1 3.46Å; F412-I434 VanDerWaalsContact CE2-CG1 3.46Å; F412-I434 HydrophobicContact CG-CB 3.93Å; F412-I434 HydrophobicContact CG-CD1 4.32Å; F412-I434 HydrophobicContact CG-CG1 3.12Å; F412-I434 HydrophobicContact CG-CG2 3.96Å; F412-I434 HydrophobicContact CZ-CD1 4.13Å; F412-I434 HydrophobicContact CZ-CG1 3.7Å; F412-Q437 VanDerWaalsContact N-OE1 3.13Å; F412-F438 HydrophobicContact CD1-CE2 4.41Å; F412-F438 HydrophobicContact CE1-CE2 4.43Å |
| 413 | A | 60.9 | Low | 59.9 | Low | 6 Ų | 6 | 61.7 Ų | 61.7 | 5% | 0.05 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -68.1 | -22.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A411 T415 F416 Q437 A441 | A411-A413 PolarHBondContact O-N 3.35Å; A413-T415 PolarHBondContact O-N 2.64Å; A413-F416 VanDerWaalsContact CA-CD2 3.42Å; A413-F416 HydrophobicContact CB-CD2 3.66Å; A413-F416 HydrophobicContact CB-CE2 3.33Å; A413-F416 HydrophobicContact CB-CZ 4.15Å; A413-F416 VanDerWaalsContact O-CD2 3.29Å; A413-F416 WeakPolarHBondContact O-CD2 3.29Å; A413-F416 PolarHBondContact O-N 3.24Å; A413-Q437 HydrophobicContact CB-CB 3.58Å; A413-Q437 HydrophobicContact CB-CG 4.39Å; A413-A441 HydrophobicContact CB-CB 3.74Å |
| 414 | S | 62.5 | Low | 59.3 | Low | 75 Ų | 75 | 64.3 Ų | 64.3 | 52% | 0.524 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -72.9 | -4.3 | 169.9 | 70.2 | 0 | 0 | 0 | 0 | 113.5 | A411 F412 | A411-S414 PolarHBondContact O-N 2.92Å; A411-S414 PolarHBondContact O-OG 3.02Å; F412-S414 PolarHBondContact O-N 2.87Å |
| 415 | T | 63.6 | Low | 59 | Low | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -100.6 | -6.2 | 174.2 | 79.9 | 0 | 0 | 0 | 0 | 113.3 | P295 M401 V410 F412 A413 Y417 D418 I421 | P295-T415 WeakPolarHBondContact CD-OG1 3.45Å; M401-T415 HydrophobicContact CE-CG2 3.66Å; M401-T415 HydrophobicContact SD-CG2 4.22Å; V410-T415 HydrophobicContact CG2-CG2 4.06Å; F412-T415 WeakPolarHBondContact O-CA 3.11Å; F412-T415 WeakPolarHBondContact O-CB 3.42Å; F412-T415 PolarHBondContact O-N 3.34Å; F412-T415 PolarHBondContact O-OG1 2.79Å; A413-T415 PolarHBondContact O-N 2.64Å; T415-Y417 PolarHBondContact O-N 3.19Å; T415-D418 PolarHBondContact O-N 3Å; T415-D418 VanDerWaalsContact O-N 3.11Å; T415-I421 HydrophobicContact CG2-CD1 3.5Å |
| 416 | F | 62.7 | Low | 58.7 | Low | 16 Ų | 16 | 69.8 Ų | 69.8 | 7% | 0.07 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 127.1 | 178.7 | -69 | -42.1 | 0 | 0 | 0 | 111.1 | L293 T294 F412 A413 D418 F438 F442 | L293-F416 WeakPolarHBondContact O-CA 3.16Å; T294-F416 HydrophobicContact CG2-CD1 4.16Å; T294-F416 HydrophobicContact CG2-CE1 4.23Å; F412-F416 AromaticContact CD1-CE1 3.83Å; F412-F416 HydrophobicContact CD1-CE1 3.83Å; F412-F416 HydrophobicContact CD1-CZ 4.17Å; F412-F416 HydrophobicContact CE1-CD1 4.42Å; F412-F416 AromaticContact CE1-CE1 3.75Å; F412-F416 HydrophobicContact CE1-CE1 3.75Å; F412-F416 HydrophobicContact CE1-CZ 4.46Å; A413-F416 VanDerWaalsContact CA-CD2 3.42Å; A413-F416 HydrophobicContact CB-CD2 3.66Å; A413-F416 HydrophobicContact CB-CE2 3.33Å; A413-F416 HydrophobicContact CB-CZ 4.15Å; A413-F416 VanDerWaalsContact O-CD2 3.29Å; A413-F416 WeakPolarHBondContact O-CD2 3.29Å; A413-F416 PolarHBondContact O-N 3.24Å; F416-D418 PolarHBondContact O-N 2.95Å; F416-D418 VanDerWaalsContact O-N 3.13Å; F416-F438 HydrophobicContact CE1-CE1 4.24Å; F416-F438 AromaticContact CE1-CE2 3.97Å; F416-F438 HydrophobicContact CE1-CE2 3.97Å; F416-F438 AromaticContact CE1-CZ 3.61Å; F416-F438 HydrophobicContact CE1-CZ 3.61Å; F416-F438 HydrophobicContact CZ-CD1 4.26Å; F416-F438 HydrophobicContact CZ-CD2 4.07Å; F416-F438 AromaticContact CZ-CE1 3.76Å; F416-F438 HydrophobicContact CZ-CE1 3.76Å; F416-F438 AromaticContact CZ-CE2 3.53Å; F416-F438 HydrophobicContact CZ-CE2 3.53Å; F416-F438 HydrophobicContact CZ-CG 4.42Å; F416-F438 AromaticContact CZ-CZ 3.38Å; F416-F438 HydrophobicContact CZ-CZ 3.38Å; F416-F442 HydrophobicContact CD2-CD2 4.33Å; F416-F442 HydrophobicContact CE1-CD2 4.24Å; F416-F442 HydrophobicContact CE2-CB 4.29Å; F416-F442 AromaticContact CE2-CD2 3.83Å; F416-F442 HydrophobicContact CE2-CD2 3.83Å; F416-F442 AromaticContact CZ-CD2 3.8Å; F416-F442 HydrophobicContact CZ-CD2 3.8Å |
| 417 | Y | 60.6 | Low | 58 | Low | 49 Ų | 49 | 68.5 Ų | 68.5 | 19% | 0.192 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 18.1 | -175.8 | -71.7 | -81.1 | 0 | 0 | 0 | 115.2 | L36 S289 N292 L293 T415 P419 L443 | L36-Y417 HydrophobicContact CD2-CD1 4.12Å; L36-Y417 HydrophobicContact CD2-CD2 3.74Å; L36-Y417 HydrophobicContact CD2-CE1 4.5Å; L36-Y417 HydrophobicContact CD2-CE2 4.14Å; L36-Y417 HydrophobicContact CD2-CG 3.73Å; S289-Y417 PolarHBondContact O-OH 3.35Å; N292-Y417 HydrophobicContact CB-CD1 4.2Å; N292-Y417 VanDerWaalsContact O-CA 3.24Å; N292-Y417 WeakPolarHBondContact O-CA 3.33Å; N292-Y417 PolarHBondContact O-N 2.03Å; L293-Y417 HydrophobicContact CD1-CD2 4.28Å; L293-Y417 HydrophobicContact CD1-CE2 3.55Å; L293-Y417 PolarHBondContact O-N 3.01Å; T415-Y417 PolarHBondContact O-N 3.19Å; Y417-P419 VanDerWaalsContact C-CD 3.47Å; Y417-P419 WeakPolarHBondContact O-CD 3.35Å; Y417-L443 HydrophobicContact CD2-CD2 4.14Å; Y417-L443 HydrophobicContact CE2-CD2 3.65Å |
| 418 | D | 60.7 | Low | 57.2 | Low | 50 Ų | 50 | 64.3 Ų | 64.3 | 27% | 0.267 | 33% | 0.326 | S | S | . | . | trans | -110.9 | 83.3 | 174.3 | -169 | -9.7 | 0 | 0 | 0 | 111.9 | T415 F416 E420 I421 | T415-D418 PolarHBondContact O-N 3Å; T415-D418 VanDerWaalsContact O-N 3.11Å; F416-D418 PolarHBondContact O-N 2.95Å; F416-D418 VanDerWaalsContact O-N 3.13Å; D418-E420 PolarHBondContact O-N 3.26Å; D418-E420 WeakPolarHBondContact OD1-CA 3.29Å; D418-E420 WeakPolarHBondContact OD1-CB 3.24Å; D418-E420 PolarHBondContact OD1-N 3.15Å; D418-I421 HydrophobicContact CB-CD1 4.4Å | ||
| 419 | P | 55.7 | Low | 56.2 | Low | 29 Ų | 29 | 60.8 Ų | 60.8 | 19% | 0.188 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -3.4 | 170.8 | 34 | -36.4 | 0 | 0 | 0 | 113 | Y417 I421 L422 Y423 | Y417-P419 VanDerWaalsContact C-CD 3.47Å; Y417-P419 WeakPolarHBondContact O-CD 3.35Å; P419-I421 PolarHBondContact O-N 2.91Å; P419-L422 WeakPolarHBondContact O-CB 3.09Å; P419-L422 PolarHBondContact O-N 3.13Å; P419-Y423 HydrophobicContact CB-CE2 4.11Å; P419-Y423 HydrophobicContact CG-CE2 4.5Å; P419-Y423 WeakPolarHBondContact O-CD2 3.3Å |
| 420 | E | 58 | Low | 55 | Low | 130 Ų | 130 | 57.1 Ų | 57.1 | 61% | 0.607 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64.7 | -26.2 | 179 | -162.8 | 165.8 | -143.7 | 0 | 0 | 111.1 | D418 L422 Y423 T424 | D418-E420 PolarHBondContact O-N 3.26Å; D418-E420 WeakPolarHBondContact OD1-CA 3.29Å; D418-E420 WeakPolarHBondContact OD1-CB 3.24Å; D418-E420 PolarHBondContact OD1-N 3.15Å; E420-L422 VanDerWaalsContact C-N 3.28Å; E420-L422 PolarHBondContact O-N 2.62Å; E420-Y423 PolarHBondContact O-N 2.68Å; E420-Y423 VanDerWaalsContact O-N 3.15Å; E420-T424 HydrophobicContact CG-CG2 3.95Å; E420-T424 WeakPolarHBondContact O-CB 3.43Å; E420-T424 WeakPolarHBondContact O-CG2 3.21Å; E420-T424 PolarHBondContact O-N 3.05Å; E420-T424 PolarHBondContact O-OG1 2.89Å |
| 421 | I | 56.3 | Low | 53.8 | Low | 41 Ų | 41 | 57.3 Ų | 57.3 | 21% | 0.21 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.1 | -37.7 | 169.5 | -63.4 | 171.8 | 0 | 0 | 0 | 112.2 | P295 T415 D418 P419 | P295-I421 HydrophobicContact CG-CD1 4.43Å; T415-I421 HydrophobicContact CG2-CD1 3.5Å; D418-I421 HydrophobicContact CB-CD1 4.4Å; P419-I421 PolarHBondContact O-N 2.91Å |
| 422 | L | 49.8 | Very low | 52.3 | Low | 27 Ų | 27 | 59 Ų | 59 | 14% | 0.141 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.4 | -38.9 | 177 | -60.2 | 177.6 | 0 | 0 | 0 | 111.8 | P295 A298 A299 P419 E420 G427 | P295-L422 HydrophobicContact CB-CD2 3.71Å; P295-L422 HydrophobicContact CB-CG 3.98Å; A298-L422 HydrophobicContact CB-CD1 3.79Å; A299-L422 HydrophobicContact CB-CD2 4.34Å; P419-L422 WeakPolarHBondContact O-CB 3.09Å; P419-L422 PolarHBondContact O-N 3.13Å; E420-L422 VanDerWaalsContact C-N 3.28Å; E420-L422 PolarHBondContact O-N 2.62Å; L422-G427 WeakPolarHBondContact CD2-O 3.44Å; L422-G427 PolarHBondContact O-N 2.78Å |
| 423 | Y | 54 | Low | 50.8 | Low | 161 Ų | 161 | 59.2 Ų | 59.2 | 63% | 0.631 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -84.5 | -14.9 | -172.7 | -58.1 | -54.1 | 0 | 0 | 0 | 114.3 | T279 P419 E420 | T279-Y423 HydrophobicContact CG2-CD1 4.12Å; T279-Y423 HydrophobicContact CG2-CE1 3.47Å; T279-Y423 VanDerWaalsContact CG2-CE1 3.47Å; P419-Y423 HydrophobicContact CB-CE2 4.11Å; P419-Y423 HydrophobicContact CG-CE2 4.5Å; P419-Y423 WeakPolarHBondContact O-CD2 3.3Å; E420-Y423 PolarHBondContact O-N 2.68Å; E420-Y423 VanDerWaalsContact O-N 3.15Å |
| 424 | T | 50.1 | Low | 49.6 | Very low | 76 Ų | 76 | 59 Ų | 59 | 47% | 0.466 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -101.9 | -16.1 | -172.8 | 46.4 | 0 | 0 | 0 | 0 | 115.2 | E420 | E420-T424 HydrophobicContact CG-CG2 3.95Å; E420-T424 WeakPolarHBondContact O-CB 3.43Å; E420-T424 WeakPolarHBondContact O-CG2 3.21Å; E420-T424 PolarHBondContact O-N 3.05Å; E420-T424 PolarHBondContact O-OG1 2.89Å |
| 425 | Y | 47.4 | Very low | 48.5 | Very low | 151 Ų | 151 | 56.3 Ų | 56.3 | 59% | 0.592 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.9 | 47 | -170.4 | -65.1 | -72.9 | 0 | 0 | 0 | 115.2 | G427 | Y425-G427 WeakPolarHBondContact O-CA 3.45Å; Y425-G427 PolarHBondContact O-N 2.8Å; Y425-G427 VanDerWaalsContact O-N 3.1Å |
| 426 | D | 46.1 | Very low | 47.5 | Very low | 134 Ų | 134 | 58.3 Ų | 58.3 | 72% | 0.717 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.7 | 43.7 | -178.9 | -71.3 | -18.2 | 0 | 0 | 0 | 112.7 | L428 | D426-L428 VanDerWaalsContact C-N 3.3Å; D426-L428 PolarHBondContact O-N 3.43Å |
| 427 | G | 43.9 | Very low | 47 | Very low | 16 Ų | 16 | 59.1 Ų | 59.1 | 17% | 0.165 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 45.1 | -143.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | L422 Y425 | L422-G427 WeakPolarHBondContact CD2-O 3.44Å; L422-G427 PolarHBondContact O-N 2.78Å; Y425-G427 WeakPolarHBondContact O-CA 3.45Å; Y425-G427 PolarHBondContact O-N 2.8Å; Y425-G427 VanDerWaalsContact O-N 3.1Å |
| 428 | L | 46 | Very low | 46.8 | Very low | 76 Ų | 76 | 57.5 Ų | 57.5 | 40% | 0.398 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | -5.9 | 178.8 | -131.7 | 88.5 | 0 | 0 | 0 | 115.5 | A299 V303 D426 V577 | A299-L428 HydrophobicContact CB-CD1 3.63Å; A299-L428 HydrophobicContact CB-CG 4.24Å; V303-L428 HydrophobicContact CG2-CD2 4.07Å; D426-L428 VanDerWaalsContact C-N 3.3Å; D426-L428 PolarHBondContact O-N 3.43Å; L428-V577 HydrophobicContact CD2-CB 4.15Å; L428-V577 HydrophobicContact CD2-CG1 3.65Å; L428-V577 HydrophobicContact CD2-CG2 3.37Å |
| 429 | E | 43.7 | Very low | 46.6 | Very low | 80 Ų | 80 | 57 Ų | 57 | 37% | 0.374 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -102.1 | -4.7 | -172.5 | -75.2 | 159.3 | -132.3 | 0 | 0 | 113.9 | K405 S579 | K405-E429 WeakPolarHBondContact CE-OE2 3.1Å; K405-E429 IonicContact NZ-OE1 2.8Å; K405-E429 PolarHBondContact NZ-OE1 3.41Å; K405-E429 IonicContact NZ-OE2 2.99Å; K405-E429 PolarHBondContact NZ-OE2 3.34Å; E429-S579 WeakPolarHBondContact OE1-CB 3.36Å; E429-S579 PolarHBondContact OE1-OG 3.31Å |
| 430 | D | 39.2 | Very low | 46.6 | Very low | 17 Ų | 17 | 61 Ų | 61 | 9% | 0.091 | 31% | 0.308 | C | S | . | . | trans | -127.6 | 45.9 | -147.8 | -97.4 | 35.6 | 0 | 0 | 0 | 114.9 | L403 P404 K405 | L403-D430 WeakPolarHBondContact CA-OD2 3.29Å; L403-D430 HydrophobicContact CB-CB 4.47Å; L403-D430 HydrophobicContact CD2-CB 4.24Å; L403-D430 WeakPolarHBondContact CD2-O 3.48Å; P404-D430 WeakPolarHBondContact CB-OD1 3.33Å; P404-D430 VanDerWaalsContact CD-CG 3.43Å; P404-D430 WeakPolarHBondContact CD-OD1 3.39Å; P404-D430 VanDerWaalsContact N-OD2 3.1Å; K405-D430 PolarHBondContact N-OD1 3.33Å; K405-D430 PolarHBondContact N-OD2 3.31Å | ||
| 431 | V | 41 | Very low | 46.5 | Very low | 37 Ų | 37 | 55.8 Ų | 55.8 | 22% | 0.224 | 29% | 0.287 | C | S | . | . | trans | -144.3 | 109.7 | -179.9 | -173 | 0 | 0 | 0 | 0 | 116.9 | L175 T296 M401 F412 | L175-V431 HydrophobicContact CD2-CG1 4.12Å; T296-V431 HydrophobicContact CG2-CB 3.47Å; T296-V431 VanDerWaalsContact CG2-CB 3.47Å; T296-V431 HydrophobicContact CG2-CG1 3.29Å; T296-V431 HydrophobicContact CG2-CG2 3.84Å; M401-V431 HydrophobicContact CE-CG1 3.62Å; M401-V431 HydrophobicContact CE-CG2 4.28Å; M401-V431 HydrophobicContact CG-CB 4.44Å; M401-V431 HydrophobicContact CG-CG1 3.93Å; M401-V431 HydrophobicContact SD-CB 4.31Å; M401-V431 HydrophobicContact SD-CG1 3.87Å; M401-V431 HydrophobicContact SD-CG2 3.83Å; F412-V431 HydrophobicContact CE2-CG1 4.39Å | ||
| 432 | I | 31.6 | Very low | 46.7 | Very low | 69 Ų | 69 | 53.9 Ų | 53.9 | 35% | 0.354 | 28% | 0.277 | S | S | . | . | B | Isolated β-bridge | trans | -144.5 | 138.6 | 149.4 | -62.7 | -169.4 | 0 | 0 | 0 | 110.5 | L175 M401 F402 | L175-I432 HydrophobicContact CB-CB 4.2Å; L175-I432 HydrophobicContact CB-CD1 4.15Å; L175-I432 HydrophobicContact CB-CG1 3.7Å; L175-I432 HydrophobicContact CB-CG2 4.06Å; M401-I432 WeakPolarHBondContact CA-O 3.44Å; F402-I432 PolarHBondContact N-O 3.4Å; F402-I432 VanDerWaalsContact N-O 3.13Å |
| 433 | S | 33.5 | Very low | 47.1 | Very low | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | trans | 115.8 | 134.7 | 158.1 | -87.5 | 0 | 0 | 0 | 0 | 119 | P398 N400 M401 | P398-S433 CarbonylContact O-C 3.51Å; P398-S433 VanDerWaalsContact O-CA 3.26Å; P398-S433 WeakPolarHBondContact O-CA 3.39Å; P398-S433 WeakPolarHBondContact O-CB 3.43Å; P398-S433 PolarHBondContact O-OG 3.25Å; N400-S433 VanDerWaalsContact C-CB 3.46Å; N400-S433 CarbonylContact C-O 3.58Å; N400-S433 WeakPolarHBondContact O-CB 3.37Å; M401-S433 WeakPolarHBondContact CA-O 3.37Å; M401-S433 PolarHBondContact N-O 3.31Å | ||
| 434 | I | 34.6 | Very low | 47.2 | Very low | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | trans | -159.5 | 131.2 | -165 | -55.9 | 100.5 | 0 | 0 | 0 | 114.8 | L175 M397 P398 E399 F412 F438 | L175-I434 HydrophobicContact CD1-CD1 3.48Å; L175-I434 VanDerWaalsContact CD1-CD1 3.48Å; L175-I434 HydrophobicContact CD2-CD1 3.57Å; L175-I434 HydrophobicContact CG-CD1 4.17Å; M397-I434 CarbonylContact C-O 3.58Å; M397-I434 HydrophobicContact CB-CB 3.61Å; M397-I434 HydrophobicContact CB-CD1 3.71Å; M397-I434 HydrophobicContact CB-CG1 3.97Å; M397-I434 HydrophobicContact CB-CG2 3.71Å; M397-I434 HydrophobicContact CG-CB 4.45Å; M397-I434 HydrophobicContact CG-CD1 3.84Å; M397-I434 HydrophobicContact CG-CG1 4.32Å; M397-I434 HydrophobicContact CG-CG2 4.49Å; M397-I434 HydrophobicContact SD-CD1 4.31Å; M397-I434 HydrophobicContact SD-CG1 4.32Å; M397-I434 HydrophobicContact SD-CG2 4.2Å; P398-I434 CarbonylContact C-O 3.5Å; P398-I434 WeakPolarHBondContact CA-O 3.12Å; P398-I434 PolarHBondContact O-N 2.69Å; E399-I434 VanDerWaalsContact C-CA 3.41Å; E399-I434 PolarHBondContact N-O 2.75Å; E399-I434 CarbonylContact O-C 3.6Å; E399-I434 WeakPolarHBondContact O-CA 3.41Å; E399-I434 PolarHBondContact O-N 3.22Å; F412-I434 HydrophobicContact CB-CB 3.98Å; F412-I434 HydrophobicContact CB-CG1 3.65Å; F412-I434 HydrophobicContact CB-CG2 4.05Å; F412-I434 HydrophobicContact CD1-CB 4.1Å; F412-I434 HydrophobicContact CD1-CG1 3.42Å; F412-I434 VanDerWaalsContact CD1-CG1 3.42Å; F412-I434 HydrophobicContact CD1-CG2 3.67Å; F412-I434 HydrophobicContact CD2-CB 4.36Å; F412-I434 HydrophobicContact CD2-CD1 3.92Å; F412-I434 HydrophobicContact CD2-CG1 3.16Å; F412-I434 HydrophobicContact CE1-CG1 3.68Å; F412-I434 HydrophobicContact CE1-CG2 4.24Å; F412-I434 HydrophobicContact CE2-CD1 3.82Å; F412-I434 HydrophobicContact CE2-CG1 3.46Å; F412-I434 VanDerWaalsContact CE2-CG1 3.46Å; F412-I434 HydrophobicContact CG-CB 3.93Å; F412-I434 HydrophobicContact CG-CD1 4.32Å; F412-I434 HydrophobicContact CG-CG1 3.12Å; F412-I434 HydrophobicContact CG-CG2 3.96Å; F412-I434 HydrophobicContact CZ-CD1 4.13Å; F412-I434 HydrophobicContact CZ-CG1 3.7Å; I434-F438 HydrophobicContact CG2-CD2 3.53Å; I434-F438 HydrophobicContact CG2-CE2 3.48Å; I434-F438 VanDerWaalsContact CG2-CE2 3.48Å | ||
| 435 | G | 40.7 | Very low | 47.3 | Very low | 19 Ų | 19 | 46.2 Ų | 46.2 | 20% | 0.196 | 25% | 0.249 | C | C | . | . | trans | -152.9 | -121.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | E399 Q437 F438 | E399-G435 PolarHBondContact O-N 2.68Å; E399-G435 VanDerWaalsContact OE2-CA 3.24Å; E399-G435 WeakPolarHBondContact OE2-CA 3.49Å; G435-Q437 PolarHBondContact O-N 3.27Å; G435-F438 PolarHBondContact O-N 2.97Å | ||
| 436 | S | 42.7 | Very low | 47.4 | Very low | 41 Ų | 41 | 50.1 Ų | 50.1 | 29% | 0.287 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -34.9 | -34.7 | -172.8 | 57.9 | 0 | 0 | 0 | 0 | 115.3 | D164 E399 F438 R439 | D164-S436 WeakPolarHBondContact OD1-CA 3.35Å; D164-S436 WeakPolarHBondContact OD1-CB 3.35Å; E399-S436 PolarHBondContact OE1-OG 2.7Å; E399-S436 PolarHBondContact OE2-N 2.73Å; S436-F438 VanDerWaalsContact C-N 3.28Å; S436-F438 PolarHBondContact O-N 2.71Å; S436-R439 WeakPolarHBondContact O-CB 3.32Å; S436-R439 PolarHBondContact O-N 2.62Å; S436-R439 VanDerWaalsContact O-N 3.16Å |
| 437 | Q | 51.3 | Low | 47.5 | Very low | 33 Ų | 33 | 53 Ų | 53 | 15% | 0.154 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.7 | -26.1 | 178.3 | -55 | 170.9 | 20.5 | 0 | 0 | 114.7 | N400 F412 A413 G435 R439 N440 A441 F442 | N400-Q437 PolarHBondContact OD1-NE2 3.36Å; F412-Q437 VanDerWaalsContact N-OE1 3.13Å; A413-Q437 HydrophobicContact CB-CB 3.58Å; A413-Q437 HydrophobicContact CB-CG 4.39Å; G435-Q437 PolarHBondContact O-N 3.27Å; Q437-R439 PolarHBondContact O-N 3.24Å; Q437-N440 PolarHBondContact O-N 2.86Å; Q437-A441 HydrophobicContact CB-CB 4.18Å; Q437-A441 CarbonylContact O-C 3.54Å; Q437-A441 VanDerWaalsContact O-CA 3.28Å; Q437-A441 WeakPolarHBondContact O-CA 2.91Å; Q437-A441 VanDerWaalsContact O-CB 3.28Å; Q437-A441 WeakPolarHBondContact O-CB 2.88Å; Q437-A441 PolarHBondContact O-N 2.75Å; Q437-F442 PolarHBondContact O-N 3.24Å |
| 438 | F | 56.3 | Low | 47.9 | Very low | 16 Ų | 16 | 54 Ų | 54 | 7% | 0.07 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.9 | -19.5 | 176 | -102.4 | -78.8 | 0 | 0 | 0 | 114.1 | Y394 M397 F412 F416 I434 G435 S436 F442 L453 | Y394-F438 HydrophobicContact CD1-CD1 4.29Å; Y394-F438 AromaticContact CD1-CE1 3.53Å; Y394-F438 HydrophobicContact CD1-CE1 3.53Å; Y394-F438 HydrophobicContact CD1-CE2 4.36Å; Y394-F438 AromaticContact CD1-CZ 3.56Å; Y394-F438 HydrophobicContact CD1-CZ 3.56Å; Y394-F438 AromaticContact CE1-CE1 3.57Å; Y394-F438 HydrophobicContact CE1-CE1 3.57Å; Y394-F438 AromaticContact CE1-CZ 3.67Å; Y394-F438 HydrophobicContact CE1-CZ 3.67Å; M397-F438 HydrophobicContact SD-CE2 3.79Å; M397-F438 HydrophobicContact SD-CZ 4.1Å; F412-F438 HydrophobicContact CD1-CE2 4.41Å; F412-F438 HydrophobicContact CE1-CE2 4.43Å; F416-F438 HydrophobicContact CE1-CE1 4.24Å; F416-F438 AromaticContact CE1-CE2 3.97Å; F416-F438 HydrophobicContact CE1-CE2 3.97Å; F416-F438 AromaticContact CE1-CZ 3.61Å; F416-F438 HydrophobicContact CE1-CZ 3.61Å; F416-F438 HydrophobicContact CZ-CD1 4.26Å; F416-F438 HydrophobicContact CZ-CD2 4.07Å; F416-F438 AromaticContact CZ-CE1 3.76Å; F416-F438 HydrophobicContact CZ-CE1 3.76Å; F416-F438 AromaticContact CZ-CE2 3.53Å; F416-F438 HydrophobicContact CZ-CE2 3.53Å; F416-F438 HydrophobicContact CZ-CG 4.42Å; F416-F438 AromaticContact CZ-CZ 3.38Å; F416-F438 HydrophobicContact CZ-CZ 3.38Å; I434-F438 HydrophobicContact CG2-CD2 3.53Å; I434-F438 HydrophobicContact CG2-CE2 3.48Å; I434-F438 VanDerWaalsContact CG2-CE2 3.48Å; G435-F438 PolarHBondContact O-N 2.97Å; S436-F438 VanDerWaalsContact C-N 3.28Å; S436-F438 PolarHBondContact O-N 2.71Å; F438-F442 HydrophobicContact CD1-CB 4.17Å; F438-F442 AromaticContact CD1-CD2 3.82Å; F438-F442 HydrophobicContact CD1-CD2 3.82Å; F438-F442 HydrophobicContact CD1-CG 4.21Å; F438-F442 AromaticContact CE1-CD2 3.38Å; F438-F442 HydrophobicContact CE1-CD2 3.38Å; F438-F442 AromaticContact CE1-CE2 3.79Å; F438-F442 HydrophobicContact CE1-CE2 3.79Å; F438-F442 HydrophobicContact CE1-CG 4.19Å; F438-F442 HydrophobicContact CZ-CD2 4.24Å; F438-L453 HydrophobicContact CD1-CB 4.25Å; F438-L453 HydrophobicContact CD1-CD2 3.54Å; F438-L453 HydrophobicContact CE1-CD2 3.41Å; F438-L453 VanDerWaalsContact CE1-CD2 3.41Å |
| 439 | R | 56.7 | Low | 48.4 | Very low | 38 Ų | 38 | 54.7 Ų | 54.7 | 14% | 0.143 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -79.5 | -36.1 | 175.1 | -180 | -176.3 | -90.3 | -162.3 | -18 | 113.1 | S158 Q159 F162 S436 Q437 D452 | S158-R439 PolarHBondContact O-NH2 3.46Å; Q159-R439 PolarHBondContact O-NH2 2.85Å; F162-R439 PolarHBondContact O-NE 3.5Å; F162-R439 PolarHBondContact O-NH2 3.4Å; S436-R439 WeakPolarHBondContact O-CB 3.32Å; S436-R439 PolarHBondContact O-N 2.62Å; S436-R439 VanDerWaalsContact O-N 3.16Å; Q437-R439 PolarHBondContact O-N 3.24Å; R439-D452 VanDerWaalsContact O-CA 3.32Å; R439-D452 WeakPolarHBondContact O-CA 3.04Å |
| 440 | N | 56 | Low | 49.3 | Very low | 115 Ų | 115 | 51.8 Ų | 51.8 | 62% | 0.615 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -121.8 | -14 | -167.7 | -66.3 | -39.2 | 0 | 0 | 0 | 114.8 | Q437 G450 | Q437-N440 PolarHBondContact O-N 2.86Å; N440-G450 WeakPolarHBondContact O-CA 3.26Å; N440-G450 PolarHBondContact O-N 3Å |
| 441 | A | 55.5 | Low | 50.6 | Low | 20 Ų | 20 | 52.1 Ų | 52.1 | 17% | 0.165 | 28% | 0.277 | C | S | . | . | trans | -132.3 | 3.6 | -168 | 0 | 0 | 0 | 0 | 0 | 114.8 | A413 Q437 L443 S444 | A413-A441 HydrophobicContact CB-CB 3.74Å; Q437-A441 HydrophobicContact CB-CB 4.18Å; Q437-A441 CarbonylContact O-C 3.54Å; Q437-A441 VanDerWaalsContact O-CA 3.28Å; Q437-A441 WeakPolarHBondContact O-CA 2.91Å; Q437-A441 VanDerWaalsContact O-CB 3.28Å; Q437-A441 WeakPolarHBondContact O-CB 2.88Å; Q437-A441 PolarHBondContact O-N 2.75Å; A441-L443 PolarHBondContact O-N 2.88Å; A441-S444 WeakPolarHBondContact O-CB 3.26Å; A441-S444 PolarHBondContact O-N 2.91Å; A441-S444 PolarHBondContact O-OG 2.85Å | ||
| 442 | F | 59.9 | Low | 52.1 | Low | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 130.1 | 171.5 | -176.3 | -105.1 | 0 | 0 | 0 | 110.9 | L293 F416 Q437 F438 S444 G450 V451 L453 | L293-F442 HydrophobicContact CD1-CE2 4.03Å; L293-F442 HydrophobicContact CD1-CZ 4.21Å; F416-F442 HydrophobicContact CD2-CD2 4.33Å; F416-F442 HydrophobicContact CE1-CD2 4.24Å; F416-F442 HydrophobicContact CE2-CB 4.29Å; F416-F442 AromaticContact CE2-CD2 3.83Å; F416-F442 HydrophobicContact CE2-CD2 3.83Å; F416-F442 AromaticContact CZ-CD2 3.8Å; F416-F442 HydrophobicContact CZ-CD2 3.8Å; Q437-F442 PolarHBondContact O-N 3.24Å; F438-F442 HydrophobicContact CD1-CB 4.17Å; F438-F442 AromaticContact CD1-CD2 3.82Å; F438-F442 HydrophobicContact CD1-CD2 3.82Å; F438-F442 HydrophobicContact CD1-CG 4.21Å; F438-F442 AromaticContact CE1-CD2 3.38Å; F438-F442 HydrophobicContact CE1-CD2 3.38Å; F438-F442 AromaticContact CE1-CE2 3.79Å; F438-F442 HydrophobicContact CE1-CE2 3.79Å; F438-F442 HydrophobicContact CE1-CG 4.19Å; F438-F442 HydrophobicContact CZ-CD2 4.24Å; F442-S444 PolarHBondContact O-N 2.85Å; F442-S444 VanDerWaalsContact O-N 3.17Å; F442-G450 CarbonylContact O-C 3.58Å; F442-G450 WeakPolarHBondContact O-CA 3.11Å; F442-V451 HydrophobicContact CD1-CG2 4.2Å; F442-V451 PolarHBondContact O-N 2.81Å; F442-L453 HydrophobicContact CB-CB 4.1Å; F442-L453 HydrophobicContact CD1-CB 3.77Å; F442-L453 HydrophobicContact CD1-CD1 3.75Å; F442-L453 HydrophobicContact CD1-CD2 3.99Å; F442-L453 HydrophobicContact CD1-CG 4.03Å; F442-L453 HydrophobicContact CD2-CD2 3.92Å; F442-L453 HydrophobicContact CE1-CB 4.39Å; F442-L453 HydrophobicContact CE1-CD1 3.5Å; F442-L453 HydrophobicContact CE1-CD2 3.96Å; F442-L453 HydrophobicContact CE1-CG 4.14Å; F442-L453 HydrophobicContact CE2-CD2 3.87Å; F442-L453 HydrophobicContact CG-CB 3.93Å; F442-L453 HydrophobicContact CG-CD2 3.97Å; F442-L453 HydrophobicContact CG-CG 4.36Å; F442-L453 HydrophobicContact CZ-CD1 4.11Å; F442-L453 HydrophobicContact CZ-CD2 3.89Å |
| 443 | L | 58.2 | Low | 54.2 | Low | 12 Ų | 12 | 47.5 Ų | 47.5 | 6% | 0.063 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 18.2 | -166.3 | -49.5 | -179.3 | 0 | 0 | 0 | 115.2 | L36 W37 Y417 A441 V451 | L36-L443 HydrophobicContact CB-CD2 4.45Å; W37-L443 HydrophobicContact CB-CD1 4.04Å; W37-L443 HydrophobicContact CG-CD1 4.42Å; Y417-L443 HydrophobicContact CD2-CD2 4.14Å; Y417-L443 HydrophobicContact CE2-CD2 3.65Å; A441-L443 PolarHBondContact O-N 2.88Å; L443-V451 HydrophobicContact CD1-CG2 4.4Å |
| 444 | S | 56 | Low | 56.3 | Low | 32 Ų | 32 | 48.4 Ų | 48.4 | 22% | 0.224 | 26% | 0.256 | C | S | . | . | trans | -65.8 | 154.5 | 168 | 68.5 | 0 | 0 | 0 | 0 | 110.7 | A441 F442 T448 | A441-S444 WeakPolarHBondContact O-CB 3.26Å; A441-S444 PolarHBondContact O-N 2.91Å; A441-S444 PolarHBondContact O-OG 2.85Å; F442-S444 PolarHBondContact O-N 2.85Å; F442-S444 VanDerWaalsContact O-N 3.17Å; S444-T448 VanDerWaalsContact CA-O 3.3Å; S444-T448 WeakPolarHBondContact CA-O 3.43Å; S444-T448 WeakPolarHBondContact CB-O 3.31Å | ||
| 445 | T | 52.1 | Low | 58.6 | Low | 59 Ų | 59 | 48.3 Ų | 48.3 | 36% | 0.362 | 26% | 0.256 | S | S | . | . | B | Isolated β-bridge | trans | -135.9 | 176.1 | 171.5 | 70.9 | 0 | 0 | 0 | 0 | 108.6 | L36 F447 T448 | L36-T445 HydrophobicContact CD1-CG2 3.4Å; T445-F447 PolarHBondContact O-N 2.85Å; T445-F447 PolarHBondContact OG1-N 2.72Å; T445-F447 VanDerWaalsContact OG1-N 3.1Å; T445-T448 WeakPolarHBondContact CB-OG1 3.44Å; T445-T448 WeakPolarHBondContact CG2-OG1 3.44Å; T445-T448 PolarHBondContact N-O 3.05Å; T445-T448 PolarHBondContact N-OG1 3.15Å; T445-T448 PolarHBondContact O-N 2.91Å; T445-T448 PolarHBondContact OG1-N 2.83Å; T445-T448 VanDerWaalsContact OG1-N 3.13Å; T445-T448 PolarHBondContact OG1-OG1 3.03Å |
| 446 | R | 49.6 | Very low | 60.6 | Low | 234 Ų | 234 | 47.4 Ų | 47.4 | 88% | 0.883 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -8.8 | 169.4 | -62.7 | -173.2 | -172.8 | 172.7 | 7.3 | 114.1 | ||
| 447 | F | 48.9 | Very low | 62.7 | Low | 193 Ų | 193 | 45.6 Ų | 45.6 | 85% | 0.846 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -128.5 | -3.1 | -177 | -51.3 | -69.8 | 0 | 0 | 0 | 114.8 | T445 | T445-F447 PolarHBondContact O-N 2.85Å; T445-F447 PolarHBondContact OG1-N 2.72Å; T445-F447 VanDerWaalsContact OG1-N 3.1Å |
| 448 | T | 52.3 | Low | 64.5 | Low | 38 Ų | 38 | 44.2 Ų | 44.2 | 23% | 0.233 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -140.5 | 132.9 | -175 | 53.4 | 0 | 0 | 0 | 0 | 111.5 | Y33 S444 T445 | Y33-T448 HydrophobicContact CD2-CG2 4.08Å; Y33-T448 HydrophobicContact CE2-CG2 3.85Å; S444-T448 VanDerWaalsContact CA-O 3.3Å; S444-T448 WeakPolarHBondContact CA-O 3.43Å; S444-T448 WeakPolarHBondContact CB-O 3.31Å; T445-T448 WeakPolarHBondContact CB-OG1 3.44Å; T445-T448 WeakPolarHBondContact CG2-OG1 3.44Å; T445-T448 PolarHBondContact N-O 3.05Å; T445-T448 PolarHBondContact N-OG1 3.15Å; T445-T448 PolarHBondContact O-N 2.91Å; T445-T448 PolarHBondContact OG1-N 2.83Å; T445-T448 VanDerWaalsContact OG1-N 3.13Å; T445-T448 PolarHBondContact OG1-OG1 3.03Å |
| 449 | S | 57.1 | Low | 66.1 | Low | 91 Ų | 91 | 43.8 Ų | 43.8 | 64% | 0.636 | 23% | 0.225 | S | C | * | . | trans | -58 | 150.8 | 166.4 | -52.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 450 | G | 60.7 | Low | 67.7 | Low | 18 Ų | 18 | 42.1 Ų | 42.1 | 19% | 0.186 | 22% | 0.219 | C | C | . | . | trans | -73.3 | 175.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N440 F442 | N440-G450 WeakPolarHBondContact O-CA 3.26Å; N440-G450 PolarHBondContact O-N 3Å; F442-G450 CarbonylContact O-C 3.58Å; F442-G450 WeakPolarHBondContact O-CA 3.11Å | ||
| 451 | V | 66.8 | Low | 69.4 | Low | 24 Ų | 24 | 37.1 Ų | 37.1 | 15% | 0.145 | 20% | 0.195 | C | C | . | . | trans | -115.8 | 146 | 171.4 | -67.4 | 0 | 0 | 0 | 0 | 110.2 | I223 F442 L443 L453 I456 | I223-V451 HydrophobicContact CG2-CB 4.1Å; I223-V451 HydrophobicContact CG2-CG1 3.96Å; F442-V451 HydrophobicContact CD1-CG2 4.2Å; F442-V451 PolarHBondContact O-N 2.81Å; L443-V451 HydrophobicContact CD1-CG2 4.4Å; V451-L453 PolarHBondContact O-N 3.24Å; V451-I456 HydrophobicContact CB-CD1 4.01Å; V451-I456 HydrophobicContact CG2-CD1 3.61Å | ||
| 452 | D | 73.3 | Confident | 71.1 | Confident | 10 Ų | 10 | 36.8 Ų | 36.8 | 5% | 0.053 | 19% | 0.189 | C | C | . | . | trans | -69 | 97.3 | 177.6 | -178.1 | -15.1 | 0 | 0 | 0 | 110 | S158 I223 R439 M454 A455 I456 | S158-D452 WeakPolarHBondContact CB-OD1 3.29Å; S158-D452 VanDerWaalsContact CB-OD2 3.23Å; S158-D452 WeakPolarHBondContact CB-OD2 3.26Å; S158-D452 VanDerWaalsContact OG-CG 3.24Å; S158-D452 PolarHBondContact OG-OD1 3.14Å; S158-D452 PolarHBondContact OG-OD2 2.94Å; S158-D452 VanDerWaalsContact OG-OD2 3.06Å; I223-D452 HydrophobicContact CD1-CB 3.76Å; R439-D452 VanDerWaalsContact O-CA 3.32Å; R439-D452 WeakPolarHBondContact O-CA 3.04Å; D452-M454 VanDerWaalsContact C-N 3.3Å; D452-M454 PolarHBondContact O-N 3.28Å; D452-M454 PolarHBondContact OD1-N 2.9Å; D452-A455 HydrophobicContact CB-CB 3.82Å; D452-A455 PolarHBondContact O-N 2.9Å; D452-A455 WeakPolarHBondContact OD1-CB 3.33Å; D452-A455 PolarHBondContact OD1-N 3.49Å; D452-A455 WeakPolarHBondContact OD2-CB 3.26Å; D452-I456 WeakPolarHBondContact O-CG1 3.48Å; D452-I456 PolarHBondContact O-N 2.68Å | ||
| 453 | L | 76 | Confident | 72.6 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.8 | -36.6 | -175.9 | -177.5 | 57.5 | 0 | 0 | 0 | 111.9 | Y394 F438 F442 V451 A455 I456 F457 | Y394-L453 HydrophobicContact CD1-CD2 4.13Å; Y394-L453 HydrophobicContact CE1-CD2 3.85Å; F438-L453 HydrophobicContact CD1-CB 4.25Å; F438-L453 HydrophobicContact CD1-CD2 3.54Å; F438-L453 HydrophobicContact CE1-CD2 3.41Å; F438-L453 VanDerWaalsContact CE1-CD2 3.41Å; F442-L453 HydrophobicContact CB-CB 4.1Å; F442-L453 HydrophobicContact CD1-CB 3.77Å; F442-L453 HydrophobicContact CD1-CD1 3.75Å; F442-L453 HydrophobicContact CD1-CD2 3.99Å; F442-L453 HydrophobicContact CD1-CG 4.03Å; F442-L453 HydrophobicContact CD2-CD2 3.92Å; F442-L453 HydrophobicContact CE1-CB 4.39Å; F442-L453 HydrophobicContact CE1-CD1 3.5Å; F442-L453 HydrophobicContact CE1-CD2 3.96Å; F442-L453 HydrophobicContact CE1-CG 4.14Å; F442-L453 HydrophobicContact CE2-CD2 3.87Å; F442-L453 HydrophobicContact CG-CB 3.93Å; F442-L453 HydrophobicContact CG-CD2 3.97Å; F442-L453 HydrophobicContact CG-CG 4.36Å; F442-L453 HydrophobicContact CZ-CD1 4.11Å; F442-L453 HydrophobicContact CZ-CD2 3.89Å; V451-L453 PolarHBondContact O-N 3.24Å; L453-A455 VanDerWaalsContact C-N 3.34Å; L453-I456 HydrophobicContact CD1-CB 4.39Å; L453-I456 HydrophobicContact CD1-CG2 4.47Å; L453-I456 CarbonylContact O-C 3.52Å; L453-I456 WeakPolarHBondContact O-CA 3.48Å; L453-I456 WeakPolarHBondContact O-CB 3.27Å; L453-I456 PolarHBondContact O-N 3.38Å; L453-I456 VanDerWaalsContact O-N 3.12Å; L453-F457 HydrophobicContact CD1-CD1 4.04Å; L453-F457 HydrophobicContact CD1-CD2 4.44Å; L453-F457 HydrophobicContact CD1-CE1 3.49Å; L453-F457 VanDerWaalsContact CD1-CE1 3.49Å; L453-F457 HydrophobicContact CD1-CE2 3.95Å; L453-F457 HydrophobicContact CD1-CG 4.49Å; L453-F457 HydrophobicContact CD1-CZ 3.45Å; L453-F457 VanDerWaalsContact CD1-CZ 3.45Å; L453-F457 HydrophobicContact CD2-CE2 3.67Å; L453-F457 HydrophobicContact CD2-CZ 3.63Å; L453-F457 HydrophobicContact CG-CD1 4.5Å; L453-F457 HydrophobicContact CG-CD2 4.03Å; L453-F457 HydrophobicContact CG-CE1 4.05Å; L453-F457 HydrophobicContact CG-CE2 3.52Å; L453-F457 HydrophobicContact CG-CG 4.49Å; L453-F457 HydrophobicContact CG-CZ 3.54Å; L453-F457 WeakPolarHBondContact O-CG 3.48Å; L453-F457 PolarHBondContact O-N 3.43Å |
| 454 | M | 77.7 | Confident | 74.3 | Confident | 21 Ų | 21 | 36.2 Ų | 36.2 | 10% | 0.103 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.4 | -37.8 | 178.6 | -70.7 | -56.4 | 116.9 | 0 | 0 | 111.2 | S158 F162 Y394 D452 I456 F457 I458 | S158-M454 WeakPolarHBondContact OG-CB 3.36Å; F162-M454 HydrophobicContact CD2-CB 3.46Å; F162-M454 VanDerWaalsContact CD2-CB 3.46Å; F162-M454 HydrophobicContact CD2-CG 3.65Å; F162-M454 HydrophobicContact CD2-SD 4.4Å; F162-M454 HydrophobicContact CE2-CB 3.59Å; F162-M454 HydrophobicContact CE2-CG 3.87Å; F162-M454 HydrophobicContact CE2-SD 4.1Å; F162-M454 HydrophobicContact CG-CB 4.42Å; F162-M454 HydrophobicContact CG-CG 4.17Å; F162-M454 HydrophobicContact CZ-SD 4.27Å; Y394-M454 HydrophobicContact CG-CE 4.4Å; D452-M454 VanDerWaalsContact C-N 3.3Å; D452-M454 PolarHBondContact O-N 3.28Å; D452-M454 PolarHBondContact OD1-N 2.9Å; M454-I456 VanDerWaalsContact C-N 3.35Å; M454-F457 HydrophobicContact CE-CD2 3.63Å; M454-F457 HydrophobicContact CE-CE2 3.73Å; M454-F457 PolarHBondContact O-N 3.09Å; M454-F457 HydrophobicContact SD-CD2 4.23Å; M454-I458 WeakPolarHBondContact O-CD1 3.5Å; M454-I458 VanDerWaalsContact O-CG1 3.28Å; M454-I458 WeakPolarHBondContact O-CG1 3.37Å; M454-I458 PolarHBondContact O-N 3.45Å |
| 455 | A | 82.7 | Confident | 76 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.5 | -39 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A154 I212 D452 L453 F457 I458 Q459 | A154-A455 HydrophobicContact CB-CB 4.27Å; A154-A455 VanDerWaalsContact CB-O 3.29Å; A154-A455 WeakPolarHBondContact CB-O 3.29Å; I212-A455 HydrophobicContact CD1-CB 4.17Å; I212-A455 WeakPolarHBondContact CD1-O 3.4Å; I212-A455 HydrophobicContact CG2-CB 4.41Å; D452-A455 HydrophobicContact CB-CB 3.82Å; D452-A455 PolarHBondContact O-N 2.9Å; D452-A455 WeakPolarHBondContact OD1-CB 3.33Å; D452-A455 PolarHBondContact OD1-N 3.49Å; D452-A455 WeakPolarHBondContact OD2-CB 3.26Å; L453-A455 VanDerWaalsContact C-N 3.34Å; A455-F457 VanDerWaalsContact C-N 3.33Å; A455-F457 PolarHBondContact O-N 3.14Å; A455-I458 PolarHBondContact O-N 3.12Å; A455-Q459 VanDerWaalsContact O-CB 3.24Å; A455-Q459 WeakPolarHBondContact O-CB 3.12Å; A455-Q459 PolarHBondContact O-N 2.87Å |
| 456 | I | 83.2 | Confident | 77.9 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.9 | -42.3 | 173.6 | -70.2 | 169.1 | 0 | 0 | 0 | 111 | F41 I212 I223 Y225 V451 D452 L453 M454 Q459 M460 | F41-I456 HydrophobicContact CE2-CG2 4.38Å; F41-I456 HydrophobicContact CZ-CG2 3.82Å; I212-I456 HydrophobicContact CD1-CG1 3.91Å; I223-I456 HydrophobicContact CG2-CD1 4.18Å; I223-I456 HydrophobicContact CG2-CG1 4.23Å; Y225-I456 HydrophobicContact CD2-CG2 4.34Å; Y225-I456 HydrophobicContact CE2-CG2 4.26Å; V451-I456 HydrophobicContact CB-CD1 4.01Å; V451-I456 HydrophobicContact CG2-CD1 3.61Å; D452-I456 WeakPolarHBondContact O-CG1 3.48Å; D452-I456 PolarHBondContact O-N 2.68Å; L453-I456 HydrophobicContact CD1-CB 4.39Å; L453-I456 HydrophobicContact CD1-CG2 4.47Å; L453-I456 CarbonylContact O-C 3.52Å; L453-I456 WeakPolarHBondContact O-CA 3.48Å; L453-I456 WeakPolarHBondContact O-CB 3.27Å; L453-I456 PolarHBondContact O-N 3.38Å; L453-I456 VanDerWaalsContact O-N 3.12Å; M454-I456 VanDerWaalsContact C-N 3.35Å; I456-Q459 PolarHBondContact O-N 3.41Å; I456-M460 VanDerWaalsContact O-CB 3.22Å; I456-M460 WeakPolarHBondContact O-CB 3.4Å; I456-M460 PolarHBondContact O-N 2.9Å |
| 457 | F | 86.8 | Confident | 79.9 | Confident | 3 Ų | 3 | 21.4 Ų | 21.4 | 1% | 0.013 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -71.5 | -38.4 | 177.9 | -63.5 | -25.7 | 0 | 0 | 0 | 113.5 | L391 Y394 L453 M454 A455 M460 G461 L509 | L391-F457 HydrophobicContact CB-CD2 4.48Å; L391-F457 HydrophobicContact CB-CE2 4.45Å; L391-F457 HydrophobicContact CD1-CB 4.06Å; L391-F457 HydrophobicContact CD1-CD1 3.96Å; L391-F457 HydrophobicContact CD1-CD2 3.92Å; L391-F457 HydrophobicContact CD1-CE1 4.32Å; L391-F457 HydrophobicContact CD1-CE2 4.29Å; L391-F457 HydrophobicContact CD1-CG 3.75Å; L391-F457 HydrophobicContact CD1-CZ 4.47Å; L391-F457 HydrophobicContact CD2-CD2 4.45Å; L391-F457 HydrophobicContact CD2-CE1 4.05Å; L391-F457 HydrophobicContact CD2-CE2 3.98Å; L391-F457 HydrophobicContact CD2-CZ 3.76Å; L391-F457 HydrophobicContact CG-CE2 4.49Å; Y394-F457 AromaticContact CD2-CE2 3.53Å; Y394-F457 HydrophobicContact CD2-CE2 3.53Å; Y394-F457 AromaticContact CD2-CZ 3.96Å; Y394-F457 HydrophobicContact CD2-CZ 3.96Å; Y394-F457 AromaticContact CE2-CE2 3.59Å; Y394-F457 HydrophobicContact CE2-CE2 3.59Å; Y394-F457 AromaticContact CE2-CZ 3.49Å; Y394-F457 HydrophobicContact CE2-CZ 3.49Å; Y394-F457 VanDerWaalsContact CE2-CZ 3.49Å; Y394-F457 HydrophobicContact CG-CE2 4.17Å; Y394-F457 AromaticContact CZ-CZ 3.98Å; L453-F457 HydrophobicContact CD1-CD1 4.04Å; L453-F457 HydrophobicContact CD1-CD2 4.44Å; L453-F457 HydrophobicContact CD1-CE1 3.49Å; L453-F457 VanDerWaalsContact CD1-CE1 3.49Å; L453-F457 HydrophobicContact CD1-CE2 3.95Å; L453-F457 HydrophobicContact CD1-CG 4.49Å; L453-F457 HydrophobicContact CD1-CZ 3.45Å; L453-F457 VanDerWaalsContact CD1-CZ 3.45Å; L453-F457 HydrophobicContact CD2-CE2 3.67Å; L453-F457 HydrophobicContact CD2-CZ 3.63Å; L453-F457 HydrophobicContact CG-CD1 4.5Å; L453-F457 HydrophobicContact CG-CD2 4.03Å; L453-F457 HydrophobicContact CG-CE1 4.05Å; L453-F457 HydrophobicContact CG-CE2 3.52Å; L453-F457 HydrophobicContact CG-CG 4.49Å; L453-F457 HydrophobicContact CG-CZ 3.54Å; L453-F457 WeakPolarHBondContact O-CG 3.48Å; L453-F457 PolarHBondContact O-N 3.43Å; M454-F457 HydrophobicContact CE-CD2 3.63Å; M454-F457 HydrophobicContact CE-CE2 3.73Å; M454-F457 PolarHBondContact O-N 3.09Å; M454-F457 HydrophobicContact SD-CD2 4.23Å; A455-F457 VanDerWaalsContact C-N 3.33Å; A455-F457 PolarHBondContact O-N 3.14Å; F457-M460 HydrophobicContact CD1-CE 3.73Å; F457-M460 HydrophobicContact CE1-CE 4.23Å; F457-M460 WeakPolarHBondContact O-CB 3.4Å; F457-M460 PolarHBondContact O-N 3.19Å; F457-G461 PolarHBondContact O-N 3.13Å; F457-L509 HydrophobicContact CB-CD2 3.41Å; F457-L509 VanDerWaalsContact CB-CD2 3.41Å; F457-L509 HydrophobicContact CD2-CD2 4.41Å; F457-L509 HydrophobicContact CG-CD2 4.4Å |
| 458 | I | 87.6 | Confident | 81.9 | Confident | 3 Ų | 3 | 13 Ų | 13 | 2% | 0.015 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62 | -44.8 | 171.5 | -67.4 | 157.2 | 0 | 0 | 0 | 110.5 | A154 V157 F162 M454 A455 M460 G461 R462 D507 P510 | A154-I458 HydrophobicContact CB-CB 3.93Å; A154-I458 HydrophobicContact CB-CG2 3.71Å; V157-I458 HydrophobicContact CB-CD1 3.97Å; V157-I458 HydrophobicContact CG1-CD1 3.67Å; F162-I458 HydrophobicContact CE2-CD1 3.98Å; M454-I458 WeakPolarHBondContact O-CD1 3.5Å; M454-I458 VanDerWaalsContact O-CG1 3.28Å; M454-I458 WeakPolarHBondContact O-CG1 3.37Å; M454-I458 PolarHBondContact O-N 3.45Å; A455-I458 PolarHBondContact O-N 3.12Å; I458-M460 VanDerWaalsContact C-N 3.29Å; I458-M460 PolarHBondContact O-N 3.11Å; I458-G461 PolarHBondContact O-N 3.05Å; I458-R462 WeakPolarHBondContact O-CG 3.3Å; I458-R462 PolarHBondContact O-N 2.82Å; I458-R462 VanDerWaalsContact O-N 3.13Å; I458-D507 HydrophobicContact CG2-CB 4.39Å; I458-P510 HydrophobicContact CD1-CG 3.85Å; I458-P510 HydrophobicContact CG1-CG 3.8Å |
| 459 | Q | 90.1 | Very high | 83.7 | Confident | 8 Ų | 8 | 11.2 Ų | 11.2 | 4% | 0.037 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -64.1 | -36.1 | 176.1 | -165.8 | 77.3 | -17.7 | 0 | 0 | 111.6 | A154 F210 P211 I212 Y225 A455 I456 R462 D463 | A154-Q459 HydrophobicContact CB-CB 3.95Å; F210-Q459 HydrophobicContact CD1-CG 3.9Å; F210-Q459 VanDerWaalsContact CE1-CD 3.4Å; F210-Q459 HydrophobicContact CE1-CG 3.84Å; F210-Q459 VanDerWaalsContact CE1-NE2 3.32Å; F210-Q459 PolarHBondContact O-NE2 3.14Å; P211-Q459 PolarHBondContact O-NE2 3.19Å; I212-Q459 HydrophobicContact CD1-CB 3.77Å; I212-Q459 HydrophobicContact CD1-CG 4.13Å; I212-Q459 HydrophobicContact CG1-CB 3.71Å; I212-Q459 HydrophobicContact CG1-CG 3.55Å; Y225-Q459 HydrophobicContact CD1-CG 3.88Å; Y225-Q459 HydrophobicContact CD2-CB 4.31Å; Y225-Q459 HydrophobicContact CD2-CG 4.1Å; Y225-Q459 HydrophobicContact CE1-CG 4.15Å; Y225-Q459 HydrophobicContact CE2-CB 4.37Å; Y225-Q459 HydrophobicContact CE2-CG 4.35Å; Y225-Q459 HydrophobicContact CG-CG 3.88Å; A455-Q459 VanDerWaalsContact O-CB 3.24Å; A455-Q459 WeakPolarHBondContact O-CB 3.12Å; A455-Q459 PolarHBondContact O-N 2.87Å; I456-Q459 PolarHBondContact O-N 3.41Å; Q459-R462 PolarHBondContact O-N 2.72Å; Q459-D463 WeakPolarHBondContact O-CB 3.42Å; Q459-D463 PolarHBondContact O-N 3.15Å |
| 460 | M | 90.6 | Very high | 85.3 | Confident | 3 Ų | 3 | 7.6 Ų | 7.6 | 2% | 0.015 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -65.7 | -44.7 | 174.9 | -169.6 | 167 | 76.1 | 0 | 0 | 111.8 | I191 Y225 T228 L391 I456 F457 I458 R462 D463 H464 | I191-M460 HydrophobicContact CB-SD 4.33Å; I191-M460 HydrophobicContact CD1-CE 3.65Å; I191-M460 HydrophobicContact CD1-CG 4.48Å; I191-M460 HydrophobicContact CD1-SD 3.67Å; I191-M460 HydrophobicContact CG2-SD 3.88Å; Y225-M460 HydrophobicContact CE2-CB 4.32Å; Y225-M460 VanDerWaalsContact OH-CA 3.29Å; Y225-M460 WeakPolarHBondContact OH-CA 3.36Å; T228-M460 HydrophobicContact CG2-CG 4.42Å; L391-M460 HydrophobicContact CD1-CE 3.95Å; I456-M460 VanDerWaalsContact O-CB 3.22Å; I456-M460 WeakPolarHBondContact O-CB 3.4Å; I456-M460 PolarHBondContact O-N 2.9Å; F457-M460 HydrophobicContact CD1-CE 3.73Å; F457-M460 HydrophobicContact CE1-CE 4.23Å; F457-M460 WeakPolarHBondContact O-CB 3.4Å; F457-M460 PolarHBondContact O-N 3.19Å; I458-M460 VanDerWaalsContact C-N 3.29Å; I458-M460 PolarHBondContact O-N 3.11Å; M460-R462 PolarHBondContact O-N 3.01Å; M460-D463 PolarHBondContact O-N 3.14Å; M460-H464 WeakPolarHBondContact CG-NE2 3.28Å; M460-H464 WeakPolarHBondContact O-CB 3.29Å; M460-H464 PolarHBondContact O-CD2 2.83Å; M460-H464 VanDerWaalsContact O-CG 3.3Å; M460-H464 PolarHBondContact O-N 3.1Å |
| 461 | G | 91.3 | Very high | 86.7 | Confident | 10 Ų | 10 | 8.3 Ų | 8.3 | 10% | 0.103 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -54.3 | -40.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F457 I458 G465 I466 | F457-G461 PolarHBondContact O-N 3.13Å; I458-G461 PolarHBondContact O-N 3.05Å; G461-G465 PolarHBondContact O-N 3.17Å; G461-I466 WeakPolarHBondContact O-CB 3.36Å; G461-I466 WeakPolarHBondContact O-CG1 3.43Å; G461-I466 PolarHBondContact O-N 3.39Å |
| 462 | R | 92.3 | Very high | 87.8 | Confident | 12 Ų | 12 | 7.2 Ų | 7.2 | 5% | 0.045 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -73.6 | -37.9 | 177.2 | -66 | 173 | -176.2 | -172.9 | 5 | 113.9 | P152 F210 I458 Q459 M460 H464 G465 D507 | P152-R462 VanDerWaalsContact O-CZ 3.26Å; P152-R462 PolarHBondContact O-NH1 3.22Å; P152-R462 PolarHBondContact O-NH2 3.43Å; F210-R462 HydrophobicContact CE1-CB 4.09Å; F210-R462 HydrophobicContact CZ-CB 4.39Å; I458-R462 WeakPolarHBondContact O-CG 3.3Å; I458-R462 PolarHBondContact O-N 2.82Å; I458-R462 VanDerWaalsContact O-N 3.13Å; Q459-R462 PolarHBondContact O-N 2.72Å; M460-R462 PolarHBondContact O-N 3.01Å; R462-H464 VanDerWaalsContact C-N 3.31Å; R462-G465 PolarHBondContact O-N 3.41Å; R462-D507 IonicContact CZ-OD1 2.98Å; R462-D507 IonicContact CZ-OD2 3.42Å; R462-D507 IonicContact NE-OD1 3.78Å; R462-D507 PolarHBondContact NE-OD1 3.11Å; R462-D507 IonicContact NE-OD2 3.56Å; R462-D507 PolarHBondContact NE-OD2 3.28Å; R462-D507 IonicContact NH2-OD1 3.39Å; R462-D507 IonicContact NH2-OD2 3.45Å; R462-D507 PolarHBondContact NH2-OD2 3.13Å |
| 463 | D | 91.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -64.6 | -37.9 | 172.9 | 179.6 | 36 | 0 | 0 | 0 | 111.7 | Y135 F210 Y225 R227 T228 Q243 Q459 M460 G465 | Y135-D463 PolarHBondContact OH-O 3.3Å; F210-D463 HydrophobicContact CD1-CB 4.19Å; Y225-D463 HydrophobicContact CE1-CB 3.9Å; Y225-D463 PolarHBondContact OH-OD2 3.29Å; R227-D463 IonicContact CZ-OD1 2.69Å; R227-D463 IonicContact NE-OD1 3.7Å; R227-D463 PolarHBondContact NE-OD1 3.34Å; R227-D463 PolarHBondContact NH2-O 2.92Å; R227-D463 IonicContact NH2-OD1 2.97Å; R227-D463 PolarHBondContact NH2-OD1 3.5Å; T228-D463 WeakPolarHBondContact CB-OD2 3.47Å; T228-D463 PolarHBondContact N-OD2 3.12Å; T228-D463 PolarHBondContact OG1-OD2 3.18Å; Q243-D463 PolarHBondContact NE2-O 3.24Å; Q459-D463 WeakPolarHBondContact O-CB 3.42Å; Q459-D463 PolarHBondContact O-N 3.15Å; M460-D463 PolarHBondContact O-N 3.14Å; D463-G465 PolarHBondContact O-N 3.48Å |
| 464 | H | 92.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -6.9 | 176.5 | -74.9 | -133.3 | 0 | 0 | 0 | 113.6 | R129 T228 N383 A387 M460 R462 I466 | R129-H464 PolarHBondContact NH1-O 3.37Å; R129-H464 PolarHBondContact NH2-O 3.49Å; T228-H464 WeakPolarHBondContact CG2-NE2 3.4Å; T228-H464 PolarHBondContact OG1-NE2 3.35Å; N383-H464 PolarHBondContact OD1-ND1 2.84Å; A387-H464 HydrophobicContact CB-CB 4.21Å; M460-H464 WeakPolarHBondContact CG-NE2 3.28Å; M460-H464 WeakPolarHBondContact O-CB 3.29Å; M460-H464 PolarHBondContact O-CD2 2.83Å; M460-H464 VanDerWaalsContact O-CG 3.3Å; M460-H464 PolarHBondContact O-N 3.1Å; R462-H464 VanDerWaalsContact C-N 3.31Å; H464-I466 VanDerWaalsContact C-N 3.25Å; H464-I466 HydrophobicContact CB-CD1 3.97Å; H464-I466 HydrophobicContact CB-CG1 3.85Å; H464-I466 PolarHBondContact O-N 3.26Å |
| 465 | G | 92.5 | Very high | 90 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.01 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 30.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P133 S134 G461 R462 D463 P467 | P133-G465 CarbonylContact C-O 3.3Å; P133-G465 VanDerWaalsContact CA-O 3.26Å; P133-G465 WeakPolarHBondContact CA-O 3.2Å; S134-G465 PolarHBondContact N-O 3.15Å; G461-G465 PolarHBondContact O-N 3.17Å; R462-G465 PolarHBondContact O-N 3.41Å; D463-G465 PolarHBondContact O-N 3.48Å; G465-P467 WeakPolarHBondContact O-CD 3.26Å |
| 466 | I | 93.1 | Very high | 90.4 | Very high | 7 Ų | 7 | 13.7 Ų | 13.7 | 4% | 0.036 | 8% | 0.08 | C | C | . | . | P | Polyproline II helix | trans | -63.4 | 125.6 | 176.7 | -55.7 | -56.7 | 0 | 0 | 0 | 108.4 | N383 E384 A387 G461 H464 L508 | N383-I466 HydrophobicContact CB-CD1 4Å; N383-I466 WeakPolarHBondContact O-CD1 3.38Å; E384-I466 HydrophobicContact CG-CD1 4.3Å; E384-I466 HydrophobicContact CG-CG2 4.38Å; A387-I466 HydrophobicContact CB-CD1 4.21Å; A387-I466 HydrophobicContact CB-CG1 3.99Å; G461-I466 WeakPolarHBondContact O-CB 3.36Å; G461-I466 WeakPolarHBondContact O-CG1 3.43Å; G461-I466 PolarHBondContact O-N 3.39Å; H464-I466 VanDerWaalsContact C-N 3.25Å; H464-I466 HydrophobicContact CB-CD1 3.97Å; H464-I466 HydrophobicContact CB-CG1 3.85Å; H464-I466 PolarHBondContact O-N 3.26Å; I466-L508 HydrophobicContact CG2-CB 4.04Å; I466-L508 HydrophobicContact CG2-CD2 3.68Å |
| 467 | P | 90.6 | Very high | 90.7 | Very high | 7 Ų | 7 | 20.9 Ų | 20.9 | 5% | 0.045 | 12% | 0.118 | C | C | . | . | P | Polyproline II helix | trans | -61.9 | 168.3 | 177.4 | -27.4 | 38.9 | 0 | 0 | 0 | 113.2 | V131 A132 G465 A471 | V131-P467 HydrophobicContact CB-CG 3.97Å; V131-P467 HydrophobicContact CG1-CB 4.38Å; V131-P467 HydrophobicContact CG1-CG 3.74Å; A132-P467 WeakPolarHBondContact O-CG 3.39Å; G465-P467 WeakPolarHBondContact O-CD 3.26Å; P467-A471 HydrophobicContact CB-CB 3.84Å |
| 468 | S | 90.8 | Very high | 90.8 | Very high | 16 Ų | 16 | 22.9 Ų | 22.9 | 11% | 0.112 | 13% | 0.129 | C | C | . | . | P | Polyproline II helix | trans | -66.7 | 158.3 | 178.4 | 59.9 | 0 | 0 | 0 | 0 | 112.8 | V470 A471 M472 E504 I506 | S468-V470 PolarHBondContact O-N 2.98Å; S468-A471 WeakPolarHBondContact O-CB 3.34Å; S468-A471 PolarHBondContact O-N 3.22Å; S468-M472 PolarHBondContact O-N 3.03Å; S468-E504 WeakPolarHBondContact CB-O 3.28Å; S468-E504 PolarHBondContact OG-O 3.28Å; S468-I506 CarbonylContact C-O 3.38Å; S468-I506 WeakPolarHBondContact CA-O 3.5Å; S468-I506 WeakPolarHBondContact CB-O 3.28Å |
| 469 | Y | 90.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -50 | -41.4 | 174.9 | 168.9 | -98.8 | 0 | 0 | 0 | 113 | M472 R473 V481 L487 V490 I506 L508 I511 E515 T526 | Y469-M472 PolarHBondContact O-N 3.06Å; Y469-R473 HydrophobicContact CE1-CG 4.43Å; Y469-R473 HydrophobicContact CE2-CG 4.35Å; Y469-R473 PolarHBondContact O-N 3.16Å; Y469-R473 WeakPolarHBondContact OH-CD 3.39Å; Y469-V481 HydrophobicContact CE1-CG2 4.33Å; Y469-L487 HydrophobicContact CE1-CD2 3.68Å; Y469-V490 VanDerWaalsContact OH-CG1 3.27Å; Y469-V490 WeakPolarHBondContact OH-CG1 3.43Å; Y469-I506 VanDerWaalsContact CB-CG2 3.49Å; Y469-I506 HydrophobicContact CD1-CD1 4.45Å; Y469-I506 HydrophobicContact CD1-CG2 4.28Å; Y469-I506 HydrophobicContact CG-CG2 4.06Å; Y469-I506 PolarHBondContact N-O 3.33Å; Y469-L508 HydrophobicContact CD2-CD1 4.35Å; Y469-I511 HydrophobicContact CD1-CG2 4.15Å; Y469-I511 HydrophobicContact CD2-CB 4.07Å; Y469-I511 HydrophobicContact CD2-CG2 4.04Å; Y469-I511 HydrophobicContact CE1-CG2 3.78Å; Y469-I511 HydrophobicContact CE2-CB 4.15Å; Y469-I511 HydrophobicContact CE2-CG2 3.65Å; Y469-I511 HydrophobicContact CG-CB 4.25Å; Y469-I511 HydrophobicContact CG-CG2 4.25Å; Y469-I511 VanDerWaalsContact CZ-CG2 3.47Å; Y469-E515 HydrophobicContact CE2-CG 4.07Å; Y469-E515 PolarHBondContact OH-OE1 3.12Å; Y469-T526 HydrophobicContact CD2-CG2 4.47Å; Y469-T526 HydrophobicContact CE2-CG2 4.49Å |
| 470 | V | 90.1 | Very high | 90.2 | Very high | 15 Ų | 15 | 31.6 Ų | 31.6 | 9% | 0.091 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.9 | -43.8 | 176.5 | 177 | 0 | 0 | 0 | 0 | 111.7 | S468 M472 R473 N474 V481 V503 | S468-V470 PolarHBondContact O-N 2.98Å; V470-M472 VanDerWaalsContact C-N 3.26Å; V470-M472 PolarHBondContact O-N 2.88Å; V470-R473 PolarHBondContact O-N 2.87Å; V470-N474 WeakPolarHBondContact O-CB 3.37Å; V470-N474 PolarHBondContact O-N 3.15Å; V470-N474 PolarHBondContact O-ND2 2.92Å; V470-V481 WeakPolarHBondContact CG1-O 3.29Å; V470-V481 HydrophobicContact CG2-CB 4.3Å; V470-V481 HydrophobicContact CG2-CG1 4.3Å; V470-V503 HydrophobicContact CG2-CB 4.02Å; V470-V503 HydrophobicContact CG2-CG2 4.32Å; V470-V503 VanDerWaalsContact CG2-O 3.26Å; V470-V503 WeakPolarHBondContact CG2-O 3.47Å |
| 471 | A | 90.2 | Very high | 89.9 | Confident | 34 Ų | 34 | 31.7 Ų | 31.7 | 28% | 0.281 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63 | -34.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P467 S468 H475 | P467-A471 HydrophobicContact CB-CB 3.84Å; S468-A471 WeakPolarHBondContact O-CB 3.34Å; S468-A471 PolarHBondContact O-N 3.22Å; A471-H475 PolarHBondContact O-N 3.18Å |
| 472 | M | 91.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -73.1 | -42.7 | 176.4 | -167.1 | 50.9 | 46.8 | 0 | 0 | 112.9 | L130 V131 E384 S468 Y469 V470 N474 H475 C476 L508 T526 I530 | L130-M472 HydrophobicContact CB-CE 4.42Å; L130-M472 HydrophobicContact CB-SD 4.45Å; L130-M472 HydrophobicContact CD1-SD 3.92Å; V131-M472 HydrophobicContact CB-CE 4.21Å; V131-M472 HydrophobicContact CG2-CE 3.65Å; E384-M472 HydrophobicContact CB-CE 4.47Å; E384-M472 HydrophobicContact CG-CE 3.72Å; S468-M472 PolarHBondContact O-N 3.03Å; Y469-M472 PolarHBondContact O-N 3.06Å; V470-M472 VanDerWaalsContact C-N 3.26Å; V470-M472 PolarHBondContact O-N 2.88Å; M472-N474 VanDerWaalsContact C-N 3.29Å; M472-N474 PolarHBondContact O-N 2.9Å; M472-H475 PolarHBondContact O-N 2.93Å; M472-H475 VanDerWaalsContact O-N 3.09Å; M472-C476 WeakPolarHBondContact O-CB 3.48Å; M472-C476 PolarHBondContact O-N 2.99Å; M472-C476 PolarHBondContact O-SG 3.36Å; M472-C476 VanDerWaalsContact O-SG 3.39Å; M472-L508 HydrophobicContact CB-CD1 3.81Å; M472-L508 HydrophobicContact CB-CD2 4.49Å; M472-L508 HydrophobicContact CG-CD1 3.83Å; M472-L508 HydrophobicContact CG-CD2 4.13Å; M472-T526 HydrophobicContact CB-CG2 4.24Å; M472-T526 HydrophobicContact CG-CG2 3.81Å; M472-I530 HydrophobicContact CG-CD1 3.86Å; M472-I530 HydrophobicContact CG-CG1 4.14Å; M472-I530 HydrophobicContact SD-CD1 4.33Å; M472-I530 HydrophobicContact SD-CG1 4.05Å |
| 473 | R | 91.9 | Very high | 89 | Confident | 6 Ų | 6 | 40.4 Ų | 40.4 | 2% | 0.023 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.3 | -42 | 173.1 | -80.1 | -172.8 | 65.6 | 99.9 | -3.7 | 112.3 | Y469 V470 H475 C476 D477 L478 E479 E515 T526 | Y469-R473 HydrophobicContact CE1-CG 4.43Å; Y469-R473 HydrophobicContact CE2-CG 4.35Å; Y469-R473 PolarHBondContact O-N 3.16Å; Y469-R473 WeakPolarHBondContact OH-CD 3.39Å; V470-R473 PolarHBondContact O-N 2.87Å; R473-H475 VanDerWaalsContact C-N 3.32Å; R473-H475 PolarHBondContact O-N 3.3Å; R473-C476 CarbonylContact O-C 3.53Å; R473-C476 PolarHBondContact O-N 2.76Å; R473-C476 VanDerWaalsContact O-N 3.09Å; R473-D477 PolarHBondContact O-N 3.09Å; R473-L478 HydrophobicContact CB-CB 4.24Å; R473-L478 HydrophobicContact CG-CB 4.37Å; R473-L478 HydrophobicContact CG-CD1 4.09Å; R473-L478 PolarHBondContact O-N 2.89Å; R473-L478 VanDerWaalsContact O-N 3.12Å; R473-E479 PolarHBondContact NE-O 3.29Å; R473-E479 PolarHBondContact NH2-O 3.15Å; R473-E515 IonicContact CZ-OE1 3.48Å; R473-E515 IonicContact NH1-OE1 3.14Å; R473-E515 PolarHBondContact NH1-OE1 2.94Å; R473-T526 HydrophobicContact CG-CG2 4.19Å; R473-T526 WeakPolarHBondContact CG-OG1 3.48Å |
| 474 | N | 90.5 | Very high | 88.5 | Confident | 85 Ų | 85 | 43.4 Ų | 43.4 | 46% | 0.455 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.5 | -30.4 | 175.8 | -65.2 | -15.2 | 0 | 0 | 0 | 113 | V470 M472 | V470-N474 WeakPolarHBondContact O-CB 3.37Å; V470-N474 PolarHBondContact O-N 3.15Å; V470-N474 PolarHBondContact O-ND2 2.92Å; M472-N474 VanDerWaalsContact C-N 3.29Å; M472-N474 PolarHBondContact O-N 2.9Å |
| 475 | H | 91 | Very high | 88.1 | Confident | 60 Ų | 60 | 49.8 Ų | 49.8 | 28% | 0.278 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -75.7 | -24.1 | 171.7 | 174.7 | 90.1 | 0 | 0 | 0 | 113 | L130 V131 A471 M472 R473 D477 K533 | L130-H475 PolarHBondContact O-CE1 2.97Å; L130-H475 PolarHBondContact O-ND1 3.48Å; V131-H475 HydrophobicContact CG2-CB 3.65Å; A471-H475 PolarHBondContact O-N 3.18Å; M472-H475 PolarHBondContact O-N 2.93Å; M472-H475 VanDerWaalsContact O-N 3.09Å; R473-H475 VanDerWaalsContact C-N 3.32Å; R473-H475 PolarHBondContact O-N 3.3Å; H475-D477 VanDerWaalsContact C-N 3.34Å; H475-K533 PolarHBondContact NE2-NZ 3.29Å |
| 476 | C | 90.2 | Very high | 87.7 | Confident | 16 Ų | 16 | 52.6 Ų | 52.6 | 11% | 0.108 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 7 | -179.8 | -72.2 | 0 | 0 | 0 | 0 | 113.8 | M472 R473 L478 C529 | M472-C476 WeakPolarHBondContact O-CB 3.48Å; M472-C476 PolarHBondContact O-N 2.99Å; M472-C476 PolarHBondContact O-SG 3.36Å; M472-C476 VanDerWaalsContact O-SG 3.39Å; R473-C476 CarbonylContact O-C 3.53Å; R473-C476 PolarHBondContact O-N 2.76Å; R473-C476 VanDerWaalsContact O-N 3.09Å; C476-L478 HydrophobicContact CB-CD1 3.68Å; C476-L478 HydrophobicContact CB-CG 3.73Å; C476-L478 PolarHBondContact O-N 3.41Å; C476-L478 VanDerWaalsContact O-N 3.14Å; C476-C529 HydrophobicContact CB-CB 3.68Å; C476-C529 WeakPolarHBondContact CB-SG 3.37Å; C476-C529 WeakPolarHBondContact SG-CB 3.43Å; C476-C529 CovalentContact SG-SG 2.03Å; C476-C529 PolarHBondContact SG-SG 3.04Å |
| 477 | D | 89.8 | Confident | 87.1 | Confident | 153 Ų | 153 | 52.2 Ų | 52.2 | 82% | 0.818 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 27.6 | -174.4 | -59.3 | -58.4 | 0 | 0 | 0 | 113.7 | R473 H475 | R473-D477 PolarHBondContact O-N 3.09Å; H475-D477 VanDerWaalsContact C-N 3.34Å |
| 478 | L | 88.9 | Confident | 86.7 | Confident | 45 Ų | 45 | 56 Ų | 56 | 24% | 0.236 | 29% | 0.291 | C | S | . | . | trans | -85 | 161.6 | 178.9 | -63.7 | 172.3 | 0 | 0 | 0 | 111.3 | R473 C476 A480 P525 | R473-L478 HydrophobicContact CB-CB 4.24Å; R473-L478 HydrophobicContact CG-CB 4.37Å; R473-L478 HydrophobicContact CG-CD1 4.09Å; R473-L478 PolarHBondContact O-N 2.89Å; R473-L478 VanDerWaalsContact O-N 3.12Å; C476-L478 HydrophobicContact CB-CD1 3.68Å; C476-L478 HydrophobicContact CB-CG 3.73Å; C476-L478 PolarHBondContact O-N 3.41Å; C476-L478 VanDerWaalsContact O-N 3.14Å; L478-A480 PolarHBondContact O-N 2.93Å; L478-A480 VanDerWaalsContact O-N 3.11Å; L478-P525 HydrophobicContact CD1-CB 3.88Å; L478-P525 HydrophobicContact CD2-CB 3.72Å; L478-P525 HydrophobicContact CG-CB 4.46Å | ||
| 479 | E | 84.4 | Confident | 86.2 | Confident | 148 Ų | 148 | 58.7 Ų | 58.7 | 69% | 0.692 | 31% | 0.31 | S | S | * | . | trans | -51.8 | 121.2 | 176.3 | -63.3 | -175.8 | 141.9 | 0 | 0 | 111 | R473 V481 | R473-E479 PolarHBondContact NE-O 3.29Å; R473-E479 PolarHBondContact NH2-O 3.15Å; E479-V481 PolarHBondContact O-N 3.39Å | ||
| 480 | A | 80.1 | Confident | 85.9 | Confident | 45 Ų | 45 | 59.3 Ų | 59.3 | 37% | 0.372 | 31% | 0.314 | S | S | . | . | trans | -78.1 | 107.9 | -168 | 0 | 0 | 0 | 0 | 0 | 111.4 | L478 K482 | L478-A480 PolarHBondContact O-N 2.93Å; L478-A480 VanDerWaalsContact O-N 3.11Å; A480-K482 PolarHBondContact O-N 3.14Å | ||
| 481 | V | 84 | Confident | 85.3 | Confident | 6 Ų | 6 | 58.7 Ų | 58.7 | 4% | 0.036 | 31% | 0.31 | C | S | . | . | trans | -70.7 | 118.2 | 177.2 | 173.9 | 0 | 0 | 0 | 0 | 110 | Y469 V470 E479 D486 L487 V503 | Y469-V481 HydrophobicContact CE1-CG2 4.33Å; V470-V481 WeakPolarHBondContact CG1-O 3.29Å; V470-V481 HydrophobicContact CG2-CB 4.3Å; V470-V481 HydrophobicContact CG2-CG1 4.3Å; E479-V481 PolarHBondContact O-N 3.39Å; V481-D486 HydrophobicContact CB-CB 4.33Å; V481-D486 HydrophobicContact CG1-CB 4.16Å; V481-D486 HydrophobicContact CG2-CB 4.28Å; V481-L487 HydrophobicContact CG1-CD2 3.81Å; V481-L487 HydrophobicContact CG1-CG 3.84Å; V481-L487 HydrophobicContact CG2-CD2 4.01Å; V481-V503 HydrophobicContact CG1-CB 4.13Å; V481-V503 HydrophobicContact CG1-CG1 4.04Å | ||
| 482 | K | 82.3 | Confident | 84.5 | Confident | 167 Ų | 167 | 63 Ų | 63 | 73% | 0.726 | 32% | 0.324 | S | S | * | . | trans | -121.2 | -24.1 | 179.6 | -63.1 | 169.9 | -168.8 | 169.2 | 0 | 112.2 | A480 D486 | A480-K482 PolarHBondContact O-N 3.14Å; K482-D486 WeakPolarHBondContact CA-OD2 3.41Å; K482-D486 PolarHBondContact N-OD2 3.31Å | ||
| 483 | S | 83.3 | Confident | 83.5 | Confident | 37 Ų | 37 | 66 Ų | 66 | 26% | 0.259 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -132.3 | -178.5 | 176 | 81.3 | 0 | 0 | 0 | 0 | 112.4 | E485 D486 | S483-E485 WeakPolarHBondContact CB-OE2 3.5Å; S483-E485 PolarHBondContact OG-N 2.71Å; S483-E485 PolarHBondContact OG-OE2 3.27Å; S483-D486 PolarHBondContact N-OD2 2.74Å |
| 484 | F | 81.3 | Confident | 82.5 | Confident | 64 Ų | 64 | 70.7 Ų | 70.7 | 28% | 0.281 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -79.2 | -27.5 | 175.9 | -68.7 | -65.2 | 0 | 0 | 0 | 112.7 | D486 L487 I497 L500 V503 | F484-D486 VanDerWaalsContact C-N 3.28Å; F484-D486 PolarHBondContact O-N 2.03Å; F484-L487 HydrophobicContact CD1-CD1 4.08Å; F484-L487 WeakPolarHBondContact O-CB 3.48Å; F484-L487 PolarHBondContact O-N 3.04Å; F484-L487 VanDerWaalsContact O-N 3.1Å; F484-I497 HydrophobicContact CB-CG2 3.85Å; F484-I497 HydrophobicContact CD1-CG2 4.04Å; F484-I497 HydrophobicContact CG-CG2 4.37Å; F484-L500 HydrophobicContact CD1-CB 4.27Å; F484-L500 HydrophobicContact CE1-CB 3.51Å; F484-L500 HydrophobicContact CE1-CD1 4.39Å; F484-L500 HydrophobicContact CZ-CB 4.2Å; F484-V503 HydrophobicContact CD1-CG1 3.85Å; F484-V503 HydrophobicContact CE1-CG1 3.6Å; F484-V503 HydrophobicContact CG-CG1 4.43Å; F484-V503 HydrophobicContact CZ-CG1 4.03Å |
| 485 | E | 83.2 | Confident | 81.5 | Confident | 134 Ų | 134 | 72.1 Ų | 72.1 | 63% | 0.626 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61.2 | -38.3 | 171.8 | -58.8 | 86.4 | 170.8 | 0 | 0 | 111.2 | S483 L487 E488 | S483-E485 WeakPolarHBondContact CB-OE2 3.5Å; S483-E485 PolarHBondContact OG-N 2.71Å; S483-E485 PolarHBondContact OG-OE2 3.27Å; E485-L487 PolarHBondContact O-N 3.3Å; E485-L487 VanDerWaalsContact O-N 3.12Å; E485-E488 PolarHBondContact O-N 2.64Å |
| 486 | D | 84.1 | Confident | 80.5 | Confident | 59 Ų | 59 | 69.9 Ų | 69.9 | 32% | 0.316 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.3 | -19 | 175.3 | -61.2 | -34.2 | 0 | 0 | 0 | 113.3 | V481 K482 S483 F484 S489 V490 | V481-D486 HydrophobicContact CB-CB 4.33Å; V481-D486 HydrophobicContact CG1-CB 4.16Å; V481-D486 HydrophobicContact CG2-CB 4.28Å; K482-D486 WeakPolarHBondContact CA-OD2 3.41Å; K482-D486 PolarHBondContact N-OD2 3.31Å; S483-D486 PolarHBondContact N-OD2 2.74Å; F484-D486 VanDerWaalsContact C-N 3.28Å; F484-D486 PolarHBondContact O-N 2.03Å; D486-S489 PolarHBondContact O-OG 3.16Å; D486-V490 WeakPolarHBondContact O-CG2 3.13Å |
| 487 | L | 81.9 | Confident | 79.7 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -84.9 | -21.5 | 174.8 | -69.5 | 173.3 | 0 | 0 | 0 | 112.8 | Y469 V481 F484 E485 S489 V490 V491 I497 L500 V503 I506 I511 | Y469-L487 HydrophobicContact CE1-CD2 3.68Å; V481-L487 HydrophobicContact CG1-CD2 3.81Å; V481-L487 HydrophobicContact CG1-CG 3.84Å; V481-L487 HydrophobicContact CG2-CD2 4.01Å; F484-L487 HydrophobicContact CD1-CD1 4.08Å; F484-L487 WeakPolarHBondContact O-CB 3.48Å; F484-L487 PolarHBondContact O-N 3.04Å; F484-L487 VanDerWaalsContact O-N 3.1Å; E485-L487 PolarHBondContact O-N 3.3Å; E485-L487 VanDerWaalsContact O-N 3.12Å; L487-S489 VanDerWaalsContact C-N 3.33Å; L487-S489 PolarHBondContact O-N 2.95Å; L487-V490 PolarHBondContact O-N 2.98Å; L487-V490 VanDerWaalsContact O-N 3.11Å; L487-V491 HydrophobicContact CB-CG2 4.17Å; L487-V491 HydrophobicContact CD2-CG2 4.14Å; L487-V491 WeakPolarHBondContact O-CB 3.34Å; L487-V491 WeakPolarHBondContact O-CG2 3.48Å; L487-V491 PolarHBondContact O-N 3.06Å; L487-I497 HydrophobicContact CB-CD1 3.78Å; L487-I497 HydrophobicContact CB-CG1 3.93Å; L487-I497 HydrophobicContact CB-CG2 4.29Å; L487-L500 HydrophobicContact CD1-CD1 3.89Å; L487-V503 HydrophobicContact CD1-CG1 4.27Å; L487-I506 HydrophobicContact CD1-CD1 3.96Å; L487-I511 HydrophobicContact CD2-CG2 4.39Å |
| 488 | E | 81.7 | Confident | 78.7 | Confident | 86 Ų | 86 | 70.2 Ų | 70.2 | 40% | 0.402 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68.9 | -31.5 | -177.2 | -72.1 | -162.4 | -159.2 | 0 | 0 | 113.1 | E485 K494 I497 K516 | E485-E488 PolarHBondContact O-N 2.64Å; E488-K494 HydrophobicContact CG-CD 4.27Å; E488-K494 WeakPolarHBondContact OE2-CE 3.16Å; E488-K494 IonicContact OE2-NZ 2.76Å; E488-K494 PolarHBondContact OE2-NZ 3Å; E488-I497 HydrophobicContact CB-CD1 4.25Å; E488-I497 HydrophobicContact CG-CD1 3.69Å; E488-K516 PolarHBondContact O-NZ 2.88Å |
| 489 | S | 80.7 | Confident | 77.8 | Confident | 73 Ų | 73 | 71.3 Ų | 71.3 | 51% | 0.51 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -69.6 | -36 | 170.6 | 56.1 | 0 | 0 | 0 | 0 | 111.3 | D486 L487 K516 | D486-S489 PolarHBondContact O-OG 3.16Å; L487-S489 VanDerWaalsContact C-N 3.33Å; L487-S489 PolarHBondContact O-N 2.95Å; S489-K516 VanDerWaalsContact C-NZ 3.29Å; S489-K516 PolarHBondContact O-NZ 3.42Å |
| 490 | V | 82.3 | Confident | 77.2 | Confident | 13 Ų | 13 | 65.9 Ų | 65.9 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -88.9 | -39.8 | -170.2 | 179.5 | 0 | 0 | 0 | 0 | 114.4 | Y469 D486 L487 E515 K516 | Y469-V490 VanDerWaalsContact OH-CG1 3.27Å; Y469-V490 WeakPolarHBondContact OH-CG1 3.43Å; D486-V490 WeakPolarHBondContact O-CG2 3.13Å; L487-V490 PolarHBondContact O-N 2.98Å; L487-V490 VanDerWaalsContact O-N 3.11Å; V490-E515 HydrophobicContact CG1-CB 4.45Å; V490-E515 HydrophobicContact CG1-CG 3.86Å; V490-E515 WeakPolarHBondContact O-CA 3.27Å; V490-K516 WeakPolarHBondContact O-CG 3.36Å; V490-K516 PolarHBondContact O-N 3.12Å |
| 491 | V | 79.4 | Confident | 76.9 | Confident | 1 Ų | 1 | 72.8 Ų | 72.8 | 1% | 0.006 | 35% | 0.35 | C | S | . | . | B | Isolated β-bridge | trans | -93.2 | 142.6 | -169.4 | 179.9 | 0 | 0 | 0 | 0 | 111.6 | L487 D493 I497 I511 A514 K516 | L487-V491 HydrophobicContact CB-CG2 4.17Å; L487-V491 HydrophobicContact CD2-CG2 4.14Å; L487-V491 WeakPolarHBondContact O-CB 3.34Å; L487-V491 WeakPolarHBondContact O-CG2 3.48Å; L487-V491 PolarHBondContact O-N 3.06Å; V491-D493 VanDerWaalsContact CG1-O 3.3Å; V491-D493 WeakPolarHBondContact CG1-O 3.37Å; V491-I497 HydrophobicContact CB-CD1 4.32Å; V491-I497 HydrophobicContact CB-CG1 4.46Å; V491-I511 HydrophobicContact CG2-CG2 4.01Å; V491-A514 CarbonylContact C-O 3.58Å; V491-A514 WeakPolarHBondContact CA-O 3.39Å; V491-A514 HydrophobicContact CG1-CB 3.84Å; V491-A514 WeakPolarHBondContact CG1-O 3.44Å; V491-K516 WeakPolarHBondContact O-CE 3.38Å; V491-K516 PolarHBondContact O-NZ 2.75Å |
| 492 | Q | 72.6 | Confident | 76.8 | Confident | 126 Ų | 126 | 77 Ų | 77 | 59% | 0.589 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -63.9 | -58.8 | 176.3 | -70.5 | -168.7 | -4 | 0 | 0 | 111.7 | A514 K516 | Q492-A514 PolarHBondContact N-O 3.09Å; Q492-K516 HydrophobicContact CG-CB 4.46Å; Q492-K516 HydrophobicContact CG-CG 4Å |
| 493 | D | 69.6 | Low | 76.8 | Confident | 62 Ų | 62 | 69.3 Ų | 69.3 | 33% | 0.332 | 33% | 0.332 | S | S | . | . | trans | -93 | 116.8 | -177.9 | 176.6 | 17.9 | 0 | 0 | 0 | 111.3 | V491 E495 I496 | V491-D493 VanDerWaalsContact CG1-O 3.3Å; V491-D493 WeakPolarHBondContact CG1-O 3.37Å; D493-E495 VanDerWaalsContact C-N 3.32Å; D493-E495 PolarHBondContact O-N 3.31Å; D493-E495 WeakPolarHBondContact OD1-CB 3.19Å; D493-E495 PolarHBondContact OD1-N 3.17Å; D493-I496 HydrophobicContact CB-CD1 3.98Å; D493-I496 HydrophobicContact CB-CG1 4.2Å; D493-I496 PolarHBondContact O-N 3.45Å; D493-I496 WeakPolarHBondContact OD2-CG1 3.42Å | ||
| 494 | K | 70.8 | Confident | 76.8 | Confident | 105 Ų | 105 | 71.4 Ų | 71.4 | 46% | 0.457 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -73.5 | -20.1 | 177.6 | -65.5 | -166.4 | 176.9 | -167 | 0 | 113.3 | E488 I496 I497 | E488-K494 HydrophobicContact CG-CD 4.27Å; E488-K494 WeakPolarHBondContact OE2-CE 3.16Å; E488-K494 IonicContact OE2-NZ 2.76Å; E488-K494 PolarHBondContact OE2-NZ 3Å; K494-I496 PolarHBondContact O-N 3.41Å; K494-I497 WeakPolarHBondContact O-CB 3.31Å; K494-I497 PolarHBondContact O-N 3.49Å |
| 495 | E | 70.5 | Confident | 76.9 | Confident | 115 Ų | 115 | 69.5 Ų | 69.5 | 54% | 0.537 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.7 | -29.9 | 175.6 | -64.6 | -166.4 | -176 | 0 | 0 | 112.1 | D493 I497 Q498 K499 | D493-E495 VanDerWaalsContact C-N 3.32Å; D493-E495 PolarHBondContact O-N 3.31Å; D493-E495 WeakPolarHBondContact OD1-CB 3.19Å; D493-E495 PolarHBondContact OD1-N 3.17Å; E495-I497 VanDerWaalsContact C-N 3.28Å; E495-I497 PolarHBondContact O-N 2.96Å; E495-Q498 PolarHBondContact O-N 3.3Å; E495-K499 WeakPolarHBondContact O-CD 3.15Å; E495-K499 VanDerWaalsContact O-CE 3.32Å; E495-K499 WeakPolarHBondContact O-CE 3.38Å; E495-K499 VanDerWaalsContact O-CG 3.3Å; E495-K499 WeakPolarHBondContact O-CG 3.23Å; E495-K499 IonicContact OE2-NZ 3.22Å |
| 496 | I | 70.2 | Confident | 77.1 | Confident | 13 Ų | 13 | 63.6 Ų | 63.6 | 7% | 0.067 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.4 | -40.4 | 175 | -64.3 | 171.9 | 0 | 0 | 0 | 110.7 | I161 D493 K494 Q498 K499 I511 A514 | I161-I496 HydrophobicContact CG1-CG2 4.39Å; I161-I496 HydrophobicContact CG2-CD1 4.1Å; I161-I496 HydrophobicContact CG2-CG1 4.24Å; I161-I496 HydrophobicContact CG2-CG2 4.01Å; D493-I496 HydrophobicContact CB-CD1 3.98Å; D493-I496 HydrophobicContact CB-CG1 4.2Å; D493-I496 PolarHBondContact O-N 3.45Å; D493-I496 WeakPolarHBondContact OD2-CG1 3.42Å; K494-I496 PolarHBondContact O-N 3.41Å; I496-Q498 PolarHBondContact O-N 2.91Å; I496-K499 WeakPolarHBondContact O-CB 3.32Å; I496-K499 PolarHBondContact O-N 3.01Å; I496-K499 VanDerWaalsContact O-N 3.12Å; I496-I511 HydrophobicContact CG2-CD1 3.37Å; I496-A514 HydrophobicContact CD1-CB 3.68Å |
| 497 | I | 72.4 | Confident | 77.3 | Confident | 12 Ų | 12 | 61.5 Ų | 61.5 | 6% | 0.062 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.2 | -42.9 | -177.2 | -55.9 | 171.4 | 0 | 0 | 0 | 110.7 | F484 L487 E488 V491 K494 E495 K499 L500 | F484-I497 HydrophobicContact CB-CG2 3.85Å; F484-I497 HydrophobicContact CD1-CG2 4.04Å; F484-I497 HydrophobicContact CG-CG2 4.37Å; L487-I497 HydrophobicContact CB-CD1 3.78Å; L487-I497 HydrophobicContact CB-CG1 3.93Å; L487-I497 HydrophobicContact CB-CG2 4.29Å; E488-I497 HydrophobicContact CB-CD1 4.25Å; E488-I497 HydrophobicContact CG-CD1 3.69Å; V491-I497 HydrophobicContact CB-CD1 4.32Å; V491-I497 HydrophobicContact CB-CG1 4.46Å; K494-I497 WeakPolarHBondContact O-CB 3.31Å; K494-I497 PolarHBondContact O-N 3.49Å; E495-I497 VanDerWaalsContact C-N 3.28Å; E495-I497 PolarHBondContact O-N 2.96Å; I497-K499 PolarHBondContact O-N 2.8Å; I497-K499 VanDerWaalsContact O-N 3.11Å; I497-L500 PolarHBondContact O-N 3.41Å; I497-L500 VanDerWaalsContact O-N 3.14Å |
| 498 | Q | 70.1 | Confident | 77.8 | Confident | 164 Ų | 164 | 61.8 Ų | 61.8 | 77% | 0.766 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62.4 | -18.5 | 178.3 | -59.8 | -178.9 | 11.5 | 0 | 0 | 113.6 | E495 I496 | E495-Q498 PolarHBondContact O-N 3.3Å; I496-Q498 PolarHBondContact O-N 2.91Å |
| 499 | K | 68.5 | Low | 78.1 | Confident | 68 Ų | 68 | 58 Ų | 58 | 30% | 0.296 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -7 | -178.8 | -60.9 | 163 | -167.8 | 169.8 | 0 | 113 | T160 E495 I496 I497 | T160-K499 HydrophobicContact CG2-CB 3.56Å; T160-K499 HydrophobicContact CG2-CD 3.87Å; T160-K499 HydrophobicContact CG2-CG 3.96Å; T160-K499 WeakPolarHBondContact O-CD 3.25Å; E495-K499 WeakPolarHBondContact O-CD 3.15Å; E495-K499 VanDerWaalsContact O-CE 3.32Å; E495-K499 WeakPolarHBondContact O-CE 3.38Å; E495-K499 VanDerWaalsContact O-CG 3.3Å; E495-K499 WeakPolarHBondContact O-CG 3.23Å; E495-K499 IonicContact OE2-NZ 3.22Å; I496-K499 WeakPolarHBondContact O-CB 3.32Å; I496-K499 PolarHBondContact O-N 3.01Å; I496-K499 VanDerWaalsContact O-N 3.12Å; I497-K499 PolarHBondContact O-N 2.8Å; I497-K499 VanDerWaalsContact O-N 3.11Å |
| 500 | L | 71.7 | Confident | 78.1 | Confident | 34 Ų | 34 | 54.7 Ų | 54.7 | 18% | 0.178 | 25% | 0.253 | C | S | . | . | trans | -92.6 | 151.7 | -177.9 | -59.8 | 172.8 | 0 | 0 | 0 | 112.1 | I161 F484 L487 I497 I506 I511 | I161-L500 HydrophobicContact CD1-CD2 4.22Å; F484-L500 HydrophobicContact CD1-CB 4.27Å; F484-L500 HydrophobicContact CE1-CB 3.51Å; F484-L500 HydrophobicContact CE1-CD1 4.39Å; F484-L500 HydrophobicContact CZ-CB 4.2Å; L487-L500 HydrophobicContact CD1-CD1 3.89Å; I497-L500 PolarHBondContact O-N 3.41Å; I497-L500 VanDerWaalsContact O-N 3.14Å; L500-I506 HydrophobicContact CD1-CD1 3.81Å; L500-I506 HydrophobicContact CD1-CG1 4.23Å; L500-I506 HydrophobicContact CD2-CG1 4.39Å; L500-I511 HydrophobicContact CD1-CD1 4.02Å; L500-I511 HydrophobicContact CD1-CG1 4.41Å | ||
| 501 | K | 75.1 | Confident | 78.2 | Confident | 189 Ų | 189 | 54.1 Ų | 54.1 | 82% | 0.822 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -114.7 | -29.7 | -176.4 | -67.6 | -171.1 | 179.2 | -178.2 | 0 | 115.7 | ||
| 502 | R | 80.9 | Confident | 78.5 | Confident | 95 Ų | 95 | 54.2 Ų | 54.2 | 36% | 0.358 | 25% | 0.25 | S | S | . | . | trans | -149.3 | 144.8 | 167.9 | -77.5 | -159.4 | -166.5 | 130.7 | 17.9 | 110.4 | T146 D147 E504 N505 | T146-R502 PolarHBondContact OG1-NH1 2.63Å; T146-R502 VanDerWaalsContact OG1-NH1 3.14Å; D147-R502 IonicContact OD1-NH1 3.64Å; D147-R502 PolarHBondContact OD1-NH1 3.15Å; D147-R502 IonicContact OD2-CZ 3.23Å; D147-R502 VanDerWaalsContact OD2-CZ 3.25Å; D147-R502 IonicContact OD2-NH1 3.66Å; D147-R502 PolarHBondContact OD2-NH1 3.41Å; D147-R502 IonicContact OD2-NH2 2.74Å; D147-R502 PolarHBondContact OD2-NH2 2.85Å; R502-E504 WeakPolarHBondContact CB-OE2 3.5Å; R502-N505 HydrophobicContact CB-CB 4.18Å | ||
| 503 | V | 82.1 | Confident | 78.9 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.03 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -75.2 | -36.9 | -177.1 | -64.4 | 0 | 0 | 0 | 0 | 112.5 | V470 V481 F484 L487 N505 I506 | V470-V503 HydrophobicContact CG2-CB 4.02Å; V470-V503 HydrophobicContact CG2-CG2 4.32Å; V470-V503 VanDerWaalsContact CG2-O 3.26Å; V470-V503 WeakPolarHBondContact CG2-O 3.47Å; V481-V503 HydrophobicContact CG1-CB 4.13Å; V481-V503 HydrophobicContact CG1-CG1 4.04Å; F484-V503 HydrophobicContact CD1-CG1 3.85Å; F484-V503 HydrophobicContact CE1-CG1 3.6Å; F484-V503 HydrophobicContact CG-CG1 4.43Å; F484-V503 HydrophobicContact CZ-CG1 4.03Å; L487-V503 HydrophobicContact CD1-CG1 4.27Å; V503-N505 PolarHBondContact O-N 3.12Å; V503-I506 HydrophobicContact CB-CD1 4.2Å; V503-I506 HydrophobicContact CG1-CD1 4.38Å; V503-I506 WeakPolarHBondContact O-CB 3.22Å; V503-I506 WeakPolarHBondContact O-CD1 3.24Å; V503-I506 VanDerWaalsContact O-CG1 3.27Å; V503-I506 WeakPolarHBondContact O-CG1 3.44Å; V503-I506 PolarHBondContact O-N 3.04Å |
| 504 | E | 82.9 | Confident | 79.4 | Confident | 82 Ų | 82 | 47.7 Ų | 47.7 | 38% | 0.383 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -22.1 | -180 | -47.5 | 83.4 | 172.4 | 0 | 0 | 112.2 | T146 S468 R502 | T146-E504 HydrophobicContact CG2-CB 3.76Å; S468-E504 WeakPolarHBondContact CB-O 3.28Å; S468-E504 PolarHBondContact OG-O 3.28Å; R502-E504 WeakPolarHBondContact CB-OE2 3.5Å |
| 505 | N | 84.7 | Confident | 80 | Confident | 23 Ų | 23 | 42.9 Ų | 42.9 | 12% | 0.123 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -14 | -179.8 | -74.9 | -9.8 | 0 | 0 | 0 | 113.4 | R143 S145 T146 L151 R502 V503 D507 | R143-N505 PolarHBondContact NH1-O 3.41Å; R143-N505 PolarHBondContact NH2-O 3.24Å; S145-N505 WeakPolarHBondContact CA-OD1 3.41Å; S145-N505 PolarHBondContact OG-ND2 2.97Å; T146-N505 PolarHBondContact N-OD1 3.01Å; T146-N505 VanDerWaalsContact N-OD1 3.13Å; L151-N505 HydrophobicContact CD2-CB 3.85Å; R502-N505 HydrophobicContact CB-CB 4.18Å; V503-N505 PolarHBondContact O-N 3.12Å; N505-D507 PolarHBondContact O-N 3.04Å |
| 506 | I | 87 | Confident | 80.6 | Confident | 10 Ų | 10 | 41.3 Ų | 41.3 | 5% | 0.051 | 19% | 0.191 | C | C | . | . | trans | -57.5 | 123.3 | -175.3 | -65.6 | 171 | 0 | 0 | 0 | 111.5 | S468 Y469 L487 L500 V503 I511 | S468-I506 CarbonylContact C-O 3.38Å; S468-I506 WeakPolarHBondContact CA-O 3.5Å; S468-I506 WeakPolarHBondContact CB-O 3.28Å; Y469-I506 VanDerWaalsContact CB-CG2 3.49Å; Y469-I506 HydrophobicContact CD1-CD1 4.45Å; Y469-I506 HydrophobicContact CD1-CG2 4.28Å; Y469-I506 HydrophobicContact CG-CG2 4.06Å; Y469-I506 PolarHBondContact N-O 3.33Å; L487-I506 HydrophobicContact CD1-CD1 3.96Å; L500-I506 HydrophobicContact CD1-CD1 3.81Å; L500-I506 HydrophobicContact CD1-CG1 4.23Å; L500-I506 HydrophobicContact CD2-CG1 4.39Å; V503-I506 HydrophobicContact CB-CD1 4.2Å; V503-I506 HydrophobicContact CG1-CD1 4.38Å; V503-I506 WeakPolarHBondContact O-CB 3.22Å; V503-I506 WeakPolarHBondContact O-CD1 3.24Å; V503-I506 VanDerWaalsContact O-CG1 3.27Å; V503-I506 WeakPolarHBondContact O-CG1 3.44Å; V503-I506 PolarHBondContact O-N 3.04Å; I506-I511 HydrophobicContact CD1-CG1 4.49Å; I506-I511 HydrophobicContact CG2-CB 3.86Å; I506-I511 HydrophobicContact CG2-CG1 3.35Å | ||
| 507 | D | 89.3 | Confident | 81.2 | Confident | 16 Ų | 16 | 43 Ų | 43 | 9% | 0.086 | 20% | 0.203 | C | C | . | . | trans | -66.3 | 144.6 | 168.6 | -62.6 | -67.2 | 0 | 0 | 0 | 110.8 | R143 I458 R462 N505 L509 P510 | R143-D507 IonicContact CZ-OD1 3Å; R143-D507 IonicContact NE-OD1 3.8Å; R143-D507 IonicContact NH2-OD1 3.68Å; R143-D507 PolarHBondContact NH2-OD1 3.08Å; I458-D507 HydrophobicContact CG2-CB 4.39Å; R462-D507 IonicContact CZ-OD1 2.98Å; R462-D507 IonicContact CZ-OD2 3.42Å; R462-D507 IonicContact NE-OD1 3.78Å; R462-D507 PolarHBondContact NE-OD1 3.11Å; R462-D507 IonicContact NE-OD2 3.56Å; R462-D507 PolarHBondContact NE-OD2 3.28Å; R462-D507 IonicContact NH2-OD1 3.39Å; R462-D507 IonicContact NH2-OD2 3.45Å; R462-D507 PolarHBondContact NH2-OD2 3.13Å; N505-D507 PolarHBondContact O-N 3.04Å; D507-L509 PolarHBondContact O-N 3.46Å; D507-P510 WeakPolarHBondContact O-CD 3.02Å | ||
| 508 | L | 91.3 | Very high | 81.7 | Confident | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.1 | -41.3 | -172.7 | 180 | 57.1 | 0 | 0 | 0 | 114 | E384 A388 I466 Y469 M472 G512 T526 F527 I530 | E384-L508 HydrophobicContact CB-CD2 4.25Å; A388-L508 HydrophobicContact CB-CB 4.28Å; A388-L508 HydrophobicContact CB-CD2 3.92Å; A388-L508 HydrophobicContact CB-CG 3.95Å; I466-L508 HydrophobicContact CG2-CB 4.04Å; I466-L508 HydrophobicContact CG2-CD2 3.68Å; Y469-L508 HydrophobicContact CD2-CD1 4.35Å; M472-L508 HydrophobicContact CB-CD1 3.81Å; M472-L508 HydrophobicContact CB-CD2 4.49Å; M472-L508 HydrophobicContact CG-CD1 3.83Å; M472-L508 HydrophobicContact CG-CD2 4.13Å; L508-G512 PolarHBondContact O-N 3.13Å; L508-G512 VanDerWaalsContact O-N 3.13Å; L508-T526 HydrophobicContact CD1-CG2 3.98Å; L508-F527 HydrophobicContact CG-CE1 4.46Å; L508-I530 HydrophobicContact CD1-CD1 4.23Å; L508-I530 HydrophobicContact CD2-CD1 3.9Å; L508-I530 HydrophobicContact CG-CD1 4.43Å |
| 509 | L | 87.1 | Confident | 82.1 | Confident | 7 Ų | 7 | 43.8 Ų | 43.8 | 4% | 0.037 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.8 | -52.8 | -172.6 | 172.8 | 65.7 | 0 | 0 | 0 | 113.9 | A388 F457 D507 I511 L513 F527 | A388-L509 HydrophobicContact CB-CB 4.11Å; F457-L509 HydrophobicContact CB-CD2 3.41Å; F457-L509 VanDerWaalsContact CB-CD2 3.41Å; F457-L509 HydrophobicContact CD2-CD2 4.41Å; F457-L509 HydrophobicContact CG-CD2 4.4Å; D507-L509 PolarHBondContact O-N 3.46Å; L509-I511 PolarHBondContact O-N 3.09Å; L509-L513 HydrophobicContact CD1-CD1 3.62Å; L509-L513 HydrophobicContact CD1-CG 3.99Å; L509-L513 HydrophobicContact CG-CD1 4.1Å; L509-L513 WeakPolarHBondContact O-CB 3.35Å; L509-L513 WeakPolarHBondContact O-CG 3.4Å; L509-L513 PolarHBondContact O-N 3.47Å; L509-L513 VanDerWaalsContact O-N 3.1Å; L509-F527 HydrophobicContact CD1-CZ 4.03Å |
| 510 | P | 82.7 | Confident | 82.5 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.019 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.6 | -31 | -170.4 | -23 | 36.4 | 0 | 0 | 0 | 115.2 | V157 I161 F162 I458 D507 | V157-P510 HydrophobicContact CG1-CG 3.97Å; I161-P510 HydrophobicContact CB-CB 4.43Å; I161-P510 HydrophobicContact CD1-CB 3.64Å; I161-P510 HydrophobicContact CD1-CG 4.43Å; I161-P510 HydrophobicContact CG2-CB 4.02Å; F162-P510 HydrophobicContact CE1-CB 4.27Å; F162-P510 HydrophobicContact CE2-CB 4.24Å; F162-P510 HydrophobicContact CE2-CG 4.17Å; F162-P510 HydrophobicContact CZ-CB 3.69Å; F162-P510 HydrophobicContact CZ-CG 3.91Å; I458-P510 HydrophobicContact CD1-CG 3.85Å; I458-P510 HydrophobicContact CG1-CG 3.8Å; D507-P510 WeakPolarHBondContact O-CD 3.02Å |
| 511 | I | 84.1 | Confident | 83 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -91.4 | -31.3 | 178.7 | -56.7 | -54.4 | 0 | 0 | 0 | 111.9 | I161 Y469 L487 V491 I496 L500 I506 L509 L513 A514 E515 | I161-I511 HydrophobicContact CD1-CD1 4.41Å; Y469-I511 HydrophobicContact CD1-CG2 4.15Å; Y469-I511 HydrophobicContact CD2-CB 4.07Å; Y469-I511 HydrophobicContact CD2-CG2 4.04Å; Y469-I511 HydrophobicContact CE1-CG2 3.78Å; Y469-I511 HydrophobicContact CE2-CB 4.15Å; Y469-I511 HydrophobicContact CE2-CG2 3.65Å; Y469-I511 HydrophobicContact CG-CB 4.25Å; Y469-I511 HydrophobicContact CG-CG2 4.25Å; Y469-I511 VanDerWaalsContact CZ-CG2 3.47Å; L487-I511 HydrophobicContact CD2-CG2 4.39Å; V491-I511 HydrophobicContact CG2-CG2 4.01Å; I496-I511 HydrophobicContact CG2-CD1 3.37Å; L500-I511 HydrophobicContact CD1-CD1 4.02Å; L500-I511 HydrophobicContact CD1-CG1 4.41Å; I506-I511 HydrophobicContact CD1-CG1 4.49Å; I506-I511 HydrophobicContact CG2-CB 3.86Å; I506-I511 HydrophobicContact CG2-CG1 3.35Å; L509-I511 PolarHBondContact O-N 3.09Å; I511-L513 PolarHBondContact O-N 2.99Å; I511-A514 CarbonylContact O-C 3.53Å; I511-A514 WeakPolarHBondContact O-CA 3Å; I511-A514 PolarHBondContact O-N 3.24Å; I511-E515 WeakPolarHBondContact O-CG 3.27Å; I511-E515 PolarHBondContact O-N 2.81Å |
| 512 | G | 84.6 | Confident | 83.3 | Confident | 3 Ų | 3 | 35.5 Ų | 35.5 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63 | -30.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L508 A514 | L508-G512 PolarHBondContact O-N 3.13Å; L508-G512 VanDerWaalsContact O-N 3.13Å; G512-A514 VanDerWaalsContact C-N 3.3Å |
| 513 | L | 81.6 | Confident | 83.6 | Confident | 40 Ų | 40 | 31.5 Ų | 31.5 | 21% | 0.209 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -22.6 | 168 | -82.5 | 173.5 | 0 | 0 | 0 | 114.3 | F162 F392 S395 L509 I511 F527 | F162-L513 HydrophobicContact CE1-CB 4.47Å; F162-L513 HydrophobicContact CE1-CD1 3.58Å; F162-L513 HydrophobicContact CZ-CD1 3.82Å; F392-L513 HydrophobicContact CB-CD2 4.22Å; S395-L513 WeakPolarHBondContact OG-CD2 3.42Å; L509-L513 HydrophobicContact CD1-CD1 3.62Å; L509-L513 HydrophobicContact CD1-CG 3.99Å; L509-L513 HydrophobicContact CG-CD1 4.1Å; L509-L513 WeakPolarHBondContact O-CB 3.35Å; L509-L513 WeakPolarHBondContact O-CG 3.4Å; L509-L513 PolarHBondContact O-N 3.47Å; L509-L513 VanDerWaalsContact O-N 3.1Å; I511-L513 PolarHBondContact O-N 2.99Å; L513-F527 HydrophobicContact CD2-CE2 4.01Å; L513-F527 HydrophobicContact CG-CE2 3.9Å; L513-F527 HydrophobicContact CG-CZ 4.31Å |
| 514 | A | 79.4 | Confident | 83.8 | Confident | 10 Ų | 10 | 31.3 Ų | 31.3 | 8% | 0.083 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -6.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | V491 Q492 I496 I511 G512 | V491-A514 CarbonylContact C-O 3.58Å; V491-A514 WeakPolarHBondContact CA-O 3.39Å; V491-A514 HydrophobicContact CG1-CB 3.84Å; V491-A514 WeakPolarHBondContact CG1-O 3.44Å; Q492-A514 PolarHBondContact N-O 3.09Å; I496-A514 HydrophobicContact CD1-CB 3.68Å; I511-A514 CarbonylContact O-C 3.53Å; I511-A514 WeakPolarHBondContact O-CA 3Å; I511-A514 PolarHBondContact O-N 3.24Å; G512-A514 VanDerWaalsContact C-N 3.3Å |
| 515 | E | 84.3 | Confident | 84.2 | Confident | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.019 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | -58.8 | 144.2 | 172.8 | -70.1 | -167.7 | 130.7 | 0 | 0 | 111.7 | Y469 R473 V490 I511 P517 T526 | Y469-E515 HydrophobicContact CE2-CG 4.07Å; Y469-E515 PolarHBondContact OH-OE1 3.12Å; R473-E515 IonicContact CZ-OE1 3.48Å; R473-E515 IonicContact NH1-OE1 3.14Å; R473-E515 PolarHBondContact NH1-OE1 2.94Å; V490-E515 HydrophobicContact CG1-CB 4.45Å; V490-E515 HydrophobicContact CG1-CG 3.86Å; V490-E515 WeakPolarHBondContact O-CA 3.27Å; I511-E515 WeakPolarHBondContact O-CG 3.27Å; I511-E515 PolarHBondContact O-N 2.81Å; E515-P517 WeakPolarHBondContact O-CD 3.42Å; E515-T526 VanDerWaalsContact CD-OG1 3.24Å; E515-T526 WeakPolarHBondContact OE1-CB 3.23Å; E515-T526 PolarHBondContact OE1-OG1 2.9Å; E515-T526 WeakPolarHBondContact OE2-CA 3.45Å; E515-T526 WeakPolarHBondContact OE2-CB 3.4Å; E515-T526 PolarHBondContact OE2-N 3.23Å; E515-T526 PolarHBondContact OE2-OG1 3.41Å |
| 516 | K | 82.6 | Confident | 84.5 | Confident | 82 Ų | 82 | 27.8 Ų | 27.8 | 36% | 0.357 | 17% | 0.173 | S | C | . | . | P | Polyproline II helix | trans | -62.9 | 126.2 | 169.4 | -64.9 | -178.6 | -176.1 | 84.2 | 0 | 109.3 | E488 S489 V490 V491 Q492 G524 P525 | E488-K516 PolarHBondContact O-NZ 2.88Å; S489-K516 VanDerWaalsContact C-NZ 3.29Å; S489-K516 PolarHBondContact O-NZ 3.42Å; V490-K516 WeakPolarHBondContact O-CG 3.36Å; V490-K516 PolarHBondContact O-N 3.12Å; V491-K516 WeakPolarHBondContact O-CE 3.38Å; V491-K516 PolarHBondContact O-NZ 2.75Å; Q492-K516 HydrophobicContact CG-CB 4.46Å; Q492-K516 HydrophobicContact CG-CG 4Å; K516-G524 WeakPolarHBondContact O-CA 3.41Å; K516-P525 WeakPolarHBondContact O-CD 3.43Å |
| 517 | P | 82.7 | Confident | 84.8 | Confident | 49 Ų | 49 | 27.4 Ų | 27.4 | 32% | 0.318 | 17% | 0.171 | S | C | . | . | P | Polyproline II helix | trans | -57.4 | 150 | 176 | -28.1 | 35.4 | 0 | 0 | 0 | 113.5 | E515 S521 I523 | E515-P517 WeakPolarHBondContact O-CD 3.42Å; P517-S521 WeakPolarHBondContact CB-O 3.39Å; P517-I523 WeakPolarHBondContact CA-O 3.21Å |
| 518 | L | 82 | Confident | 84.9 | Confident | 64 Ų | 64 | 26.9 Ų | 26.9 | 34% | 0.335 | 17% | 0.168 | S | C | . | . | P | Polyproline II helix | trans | -63.9 | 154.7 | 168.2 | -67 | 168.1 | 0 | 0 | 0 | 110.4 | G520 S521 I523 P525 A528 | L518-G520 PolarHBondContact O-N 2.94Å; L518-S521 VanDerWaalsContact O-CB 3.29Å; L518-S521 WeakPolarHBondContact O-CB 3.25Å; L518-S521 PolarHBondContact O-N 3.28Å; L518-I523 PolarHBondContact N-O 3.11Å; L518-P525 HydrophobicContact CD2-CB 4.42Å; L518-P525 HydrophobicContact CD2-CG 3.89Å; L518-P525 HydrophobicContact CG-CG 4.3Å; L518-A528 HydrophobicContact CD1-CB 3.73Å |
| 519 | P | 79.3 | Confident | 84.9 | Confident | 128 Ų | 128 | 27 Ų | 27 | 83% | 0.831 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56 | 122.5 | 174.1 | -25.3 | 35.4 | 0 | 0 | 0 | 111.6 | S521 | P519-S521 VanDerWaalsContact C-N 3.3Å; P519-S521 PolarHBondContact O-N 3.39Å |
| 520 | G | 77.4 | Confident | 85.2 | Confident | 65 Ų | 65 | 26.7 Ų | 26.7 | 67% | 0.67 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 9.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | G353 L518 | G353-G520 WeakPolarHBondContact CA-O 3.16Å; L518-G520 PolarHBondContact O-N 2.94Å |
| 521 | S | 82.9 | Confident | 85.6 | Confident | 14 Ų | 14 | 26.6 Ų | 26.6 | 10% | 0.098 | 17% | 0.167 | C | C | . | . | trans | -110.1 | 155.9 | 177.5 | 172 | 0 | 0 | 0 | 0 | 111.2 | M350 I351 P517 L518 P519 I523 | M350-S521 WeakPolarHBondContact O-CA 3.46Å; I351-S521 PolarHBondContact O-OG 3.44Å; P517-S521 WeakPolarHBondContact CB-O 3.39Å; L518-S521 VanDerWaalsContact O-CB 3.29Å; L518-S521 WeakPolarHBondContact O-CB 3.25Å; L518-S521 PolarHBondContact O-N 3.28Å; P519-S521 VanDerWaalsContact C-N 3.3Å; P519-S521 PolarHBondContact O-N 3.39Å; S521-I523 PolarHBondContact OG-N 3.22Å; S521-I523 PolarHBondContact OG-O 3.19Å | ||
| 522 | F | 81.4 | Confident | 85.8 | Confident | 39 Ų | 39 | 29.2 Ų | 29.2 | 17% | 0.171 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -88.9 | -12.9 | 169.2 | -83.9 | -106.9 | 0 | 0 | 0 | 113.5 | H170 A173 L177 M350 I351 L396 | H170-F522 AromaticContact CE1-CE1 3.92Å; H170-F522 AromaticContact CE1-CZ 3.63Å; H170-F522 AromaticContact ND1-CZ 3.96Å; H170-F522 AromaticContact NE2-CE1 3.95Å; H170-F522 AromaticContact NE2-CZ 3.98Å; A173-F522 HydrophobicContact CB-CE1 3.81Å; A173-F522 HydrophobicContact CB-CZ 3.77Å; L177-F522 HydrophobicContact CD2-CD1 3.65Å; L177-F522 HydrophobicContact CD2-CD2 4.19Å; L177-F522 HydrophobicContact CD2-CE1 3.45Å; L177-F522 VanDerWaalsContact CD2-CE1 3.45Å; L177-F522 HydrophobicContact CD2-CE2 4.02Å; L177-F522 HydrophobicContact CD2-CG 4.02Å; L177-F522 HydrophobicContact CD2-CZ 3.65Å; M350-F522 HydrophobicContact CB-CD2 4.29Å; M350-F522 HydrophobicContact CB-CE2 4.16Å; M350-F522 HydrophobicContact CE-CE2 3.75Å; M350-F522 HydrophobicContact CE-CZ 3.98Å; M350-F522 WeakPolarHBondContact O-CD2 3.44Å; M350-F522 PolarHBondContact O-N 2.76Å; I351-F522 HydrophobicContact CD1-CB 4.13Å; I351-F522 HydrophobicContact CD1-CG 4.44Å; I351-F522 PolarHBondContact O-N 3.11Å; L396-F522 HydrophobicContact CD1-CD1 4.4Å; L396-F522 HydrophobicContact CD2-CD1 4.08Å |
| 523 | I | 86.1 | Confident | 86 | Confident | 10 Ų | 10 | 31.6 Ų | 31.6 | 5% | 0.051 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -130.4 | 153.2 | -173.2 | 64.6 | -175.6 | 0 | 0 | 0 | 112.9 | I351 L352 F392 P517 L518 S521 F527 A528 I531 | I351-I523 HydrophobicContact CG2-CD1 3.73Å; I351-I523 HydrophobicContact CG2-CG1 4.35Å; I351-I523 WeakPolarHBondContact O-CG1 3.39Å; L352-I523 HydrophobicContact CD2-CD1 4.02Å; F392-I523 HydrophobicContact CD2-CG2 3.57Å; F392-I523 HydrophobicContact CE2-CG2 4Å; F392-I523 HydrophobicContact CG-CG2 4.13Å; P517-I523 WeakPolarHBondContact CA-O 3.21Å; L518-I523 PolarHBondContact N-O 3.11Å; S521-I523 PolarHBondContact OG-N 3.22Å; S521-I523 PolarHBondContact OG-O 3.19Å; I523-F527 HydrophobicContact CB-CB 4.15Å; I523-F527 HydrophobicContact CD1-CB 4.17Å; I523-F527 HydrophobicContact CG1-CB 4.43Å; I523-A528 HydrophobicContact CD1-CB 4.37Å; I523-A528 HydrophobicContact CG1-CB 4.12Å; I523-I531 HydrophobicContact CD1-CB 4.15Å; I523-I531 HydrophobicContact CD1-CD1 3.43Å; I523-I531 VanDerWaalsContact CD1-CD1 3.43Å; I523-I531 HydrophobicContact CD1-CG1 4.27Å; I523-I531 HydrophobicContact CD1-CG2 4.38Å |
| 524 | G | 87.1 | Confident | 86.4 | Confident | 2 Ų | 2 | 29.7 Ų | 29.7 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | trans | -75.8 | 169.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | K516 T526 F527 A528 | K516-G524 WeakPolarHBondContact O-CA 3.41Å; G524-T526 VanDerWaalsContact C-N 3.33Å; G524-T526 PolarHBondContact O-N 2.76Å; G524-F527 PolarHBondContact O-N 3.39Å; G524-A528 VanDerWaalsContact O-CB 3.25Å; G524-A528 WeakPolarHBondContact O-CB 3.48Å; G524-A528 PolarHBondContact O-N 3.42Å | ||
| 525 | P | 90.3 | Very high | 86.9 | Confident | 31 Ų | 31 | 29.3 Ų | 29.3 | 20% | 0.201 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.5 | -34.6 | -166.2 | -25.7 | 33.7 | 0 | 0 | 0 | 115.8 | L478 K516 L518 C529 | L478-P525 HydrophobicContact CD1-CB 3.88Å; L478-P525 HydrophobicContact CD2-CB 3.72Å; L478-P525 HydrophobicContact CG-CB 4.46Å; K516-P525 WeakPolarHBondContact O-CD 3.43Å; L518-P525 HydrophobicContact CD2-CB 4.42Å; L518-P525 HydrophobicContact CD2-CG 3.89Å; L518-P525 HydrophobicContact CG-CG 4.3Å; P525-C529 VanDerWaalsContact O-CB 3.27Å; P525-C529 WeakPolarHBondContact O-CB 3.46Å; P525-C529 PolarHBondContact O-N 3.5Å |
| 526 | T | 92.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -74.5 | -46.2 | -179.4 | -53.2 | 0 | 0 | 0 | 0 | 111 | Y469 M472 R473 L508 E515 G524 C529 I530 | Y469-T526 HydrophobicContact CD2-CG2 4.47Å; Y469-T526 HydrophobicContact CE2-CG2 4.49Å; M472-T526 HydrophobicContact CB-CG2 4.24Å; M472-T526 HydrophobicContact CG-CG2 3.81Å; R473-T526 HydrophobicContact CG-CG2 4.19Å; R473-T526 WeakPolarHBondContact CG-OG1 3.48Å; L508-T526 HydrophobicContact CD1-CG2 3.98Å; E515-T526 VanDerWaalsContact CD-OG1 3.24Å; E515-T526 WeakPolarHBondContact OE1-CB 3.23Å; E515-T526 PolarHBondContact OE1-OG1 2.9Å; E515-T526 WeakPolarHBondContact OE2-CA 3.45Å; E515-T526 WeakPolarHBondContact OE2-CB 3.4Å; E515-T526 PolarHBondContact OE2-N 3.23Å; E515-T526 PolarHBondContact OE2-OG1 3.41Å; G524-T526 VanDerWaalsContact C-N 3.33Å; G524-T526 PolarHBondContact O-N 2.76Å; T526-C529 WeakPolarHBondContact O-CB 3.28Å; T526-C529 PolarHBondContact O-N 2.84Å; T526-I530 HydrophobicContact CG2-CD1 4.28Å; T526-I530 WeakPolarHBondContact O-CD1 3.17Å; T526-I530 VanDerWaalsContact O-CG1 3.31Å; T526-I530 WeakPolarHBondContact O-CG1 3.36Å; T526-I530 PolarHBondContact O-N 3.32Å; T526-I530 VanDerWaalsContact O-N 3.08Å |
| 527 | F | 92.1 | Very high | 86.4 | Confident | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.009 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.3 | -39.4 | 174.2 | -89.3 | 20.2 | 0 | 0 | 0 | 111.4 | A389 F392 L508 L509 L513 I523 G524 C529 I530 I531 | A389-F527 HydrophobicContact CB-CB 4.47Å; A389-F527 HydrophobicContact CB-CD1 3.76Å; A389-F527 HydrophobicContact CB-CD2 4.36Å; A389-F527 HydrophobicContact CB-CE1 3.99Å; A389-F527 HydrophobicContact CB-CG 3.95Å; A389-F527 HydrophobicContact CB-CZ 4.4Å; F392-F527 HydrophobicContact CB-CD2 4.06Å; F392-F527 HydrophobicContact CB-CE2 4.08Å; L508-F527 HydrophobicContact CG-CE1 4.46Å; L509-F527 HydrophobicContact CD1-CZ 4.03Å; L513-F527 HydrophobicContact CD2-CE2 4.01Å; L513-F527 HydrophobicContact CG-CE2 3.9Å; L513-F527 HydrophobicContact CG-CZ 4.31Å; I523-F527 HydrophobicContact CB-CB 4.15Å; I523-F527 HydrophobicContact CD1-CB 4.17Å; I523-F527 HydrophobicContact CG1-CB 4.43Å; G524-F527 PolarHBondContact O-N 3.39Å; F527-C529 PolarHBondContact O-N 2.77Å; F527-I530 HydrophobicContact CD1-CD1 4.25Å; F527-I530 PolarHBondContact O-N 3.29Å; F527-I531 WeakPolarHBondContact O-CB 3.33Å; F527-I531 WeakPolarHBondContact O-CG1 3.36Å; F527-I531 PolarHBondContact O-N 2.68Å |
| 528 | A | 91 | Very high | 85.5 | Confident | 4 Ų | 4 | 25.4 Ų | 25.4 | 3% | 0.033 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.1 | -50.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | L352 L518 I523 G524 I530 I531 R532 | L352-A528 HydrophobicContact CD2-CB 4.04Å; L518-A528 HydrophobicContact CD1-CB 3.73Å; I523-A528 HydrophobicContact CD1-CB 4.37Å; I523-A528 HydrophobicContact CG1-CB 4.12Å; G524-A528 VanDerWaalsContact O-CB 3.25Å; G524-A528 WeakPolarHBondContact O-CB 3.48Å; G524-A528 PolarHBondContact O-N 3.42Å; A528-I530 PolarHBondContact O-N 2.96Å; A528-I531 PolarHBondContact O-N 2.85Å; A528-R532 WeakPolarHBondContact O-CA 3.47Å; A528-R532 WeakPolarHBondContact O-CB 3.25Å; A528-R532 PolarHBondContact O-N 3.19Å |
| 529 | C | 91.9 | Very high | 84.5 | Confident | 9 Ų | 9 | 22.7 Ų | 22.7 | 6% | 0.061 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -53.5 | -48.2 | 175.2 | 168.9 | 0 | 0 | 0 | 0 | 113.2 | C476 P525 T526 F527 K533 | C476-C529 HydrophobicContact CB-CB 3.68Å; C476-C529 WeakPolarHBondContact CB-SG 3.37Å; C476-C529 WeakPolarHBondContact SG-CB 3.43Å; C476-C529 CovalentContact SG-SG 2.03Å; C476-C529 PolarHBondContact SG-SG 3.04Å; P525-C529 VanDerWaalsContact O-CB 3.27Å; P525-C529 WeakPolarHBondContact O-CB 3.46Å; P525-C529 PolarHBondContact O-N 3.5Å; T526-C529 WeakPolarHBondContact O-CB 3.28Å; T526-C529 PolarHBondContact O-N 2.84Å; F527-C529 PolarHBondContact O-N 2.77Å; C529-K533 WeakPolarHBondContact O-CB 3.37Å; C529-K533 VanDerWaalsContact O-CG 3.29Å; C529-K533 WeakPolarHBondContact O-CG 3.31Å; C529-K533 PolarHBondContact O-N 3.08Å; C529-K533 VanDerWaalsContact SG-CE 3.57Å |
| 530 | I | 92.7 | Very high | 83.5 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.9 | -46.5 | -177.8 | -60.7 | 155.7 | 0 | 0 | 0 | 111 | L130 E384 A389 M472 L508 T526 F527 A528 K533 Q534 | L130-I530 HydrophobicContact CD1-CG1 4.19Å; E384-I530 HydrophobicContact CB-CG2 4.08Å; A389-I530 HydrophobicContact CB-CB 3.76Å; A389-I530 HydrophobicContact CB-CD1 3.82Å; A389-I530 HydrophobicContact CB-CG1 4.44Å; A389-I530 HydrophobicContact CB-CG2 3.63Å; M472-I530 HydrophobicContact CG-CD1 3.86Å; M472-I530 HydrophobicContact CG-CG1 4.14Å; M472-I530 HydrophobicContact SD-CD1 4.33Å; M472-I530 HydrophobicContact SD-CG1 4.05Å; L508-I530 HydrophobicContact CD1-CD1 4.23Å; L508-I530 HydrophobicContact CD2-CD1 3.9Å; L508-I530 HydrophobicContact CG-CD1 4.43Å; T526-I530 HydrophobicContact CG2-CD1 4.28Å; T526-I530 WeakPolarHBondContact O-CD1 3.17Å; T526-I530 VanDerWaalsContact O-CG1 3.31Å; T526-I530 WeakPolarHBondContact O-CG1 3.36Å; T526-I530 PolarHBondContact O-N 3.32Å; T526-I530 VanDerWaalsContact O-N 3.08Å; F527-I530 HydrophobicContact CD1-CD1 4.25Å; F527-I530 PolarHBondContact O-N 3.29Å; A528-I530 PolarHBondContact O-N 2.96Å; I530-K533 PolarHBondContact O-N 3.39Å; I530-Q534 WeakPolarHBondContact O-CB 3.15Å; I530-Q534 PolarHBondContact O-N 2.9Å |
| 531 | I | 92 | Very high | 82.8 | Confident | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.4 | -44.1 | 179.4 | -74.9 | 173.2 | 0 | 0 | 0 | 110.2 | L348 I351 L352 Y385 A389 F392 I523 F527 A528 K533 Q534 F535 | L348-I531 HydrophobicContact CD2-CG2 4.37Å; I351-I531 HydrophobicContact CG2-CG2 4.29Å; L352-I531 HydrophobicContact CD1-CG2 4.3Å; L352-I531 HydrophobicContact CD2-CB 4.2Å; L352-I531 HydrophobicContact CD2-CG2 3.82Å; L352-I531 HydrophobicContact CG-CG2 4.23Å; Y385-I531 HydrophobicContact CD2-CG1 3.84Å; Y385-I531 HydrophobicContact CE2-CG1 3.93Å; A389-I531 HydrophobicContact CB-CD1 4.41Å; A389-I531 HydrophobicContact CB-CG1 4.18Å; A389-I531 WeakPolarHBondContact O-CD1 3.49Å; F392-I531 HydrophobicContact CD1-CD1 3.86Å; F392-I531 HydrophobicContact CE1-CD1 4.03Å; F392-I531 HydrophobicContact CG-CD1 4.5Å; I523-I531 HydrophobicContact CD1-CB 4.15Å; I523-I531 HydrophobicContact CD1-CD1 3.43Å; I523-I531 VanDerWaalsContact CD1-CD1 3.43Å; I523-I531 HydrophobicContact CD1-CG1 4.27Å; I523-I531 HydrophobicContact CD1-CG2 4.38Å; F527-I531 WeakPolarHBondContact O-CB 3.33Å; F527-I531 WeakPolarHBondContact O-CG1 3.36Å; F527-I531 PolarHBondContact O-N 2.68Å; A528-I531 PolarHBondContact O-N 2.85Å; I531-K533 PolarHBondContact O-N 2.99Å; I531-Q534 WeakPolarHBondContact O-CB 3.5Å; I531-Q534 PolarHBondContact O-N 2.93Å; I531-F535 HydrophobicContact CG2-CD2 3.67Å; I531-F535 HydrophobicContact CG2-CE2 3.9Å; I531-F535 VanDerWaalsContact O-CD2 3.29Å; I531-F535 WeakPolarHBondContact O-CD2 3.44Å; I531-F535 PolarHBondContact O-N 3.39Å |
| 532 | R | 88.8 | Confident | 82.5 | Confident | 57 Ų | 57 | 19.1 Ų | 19.1 | 22% | 0.215 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -57.1 | -47.6 | 172.6 | -173.9 | -172.4 | 73.7 | 69.3 | -54.5 | 111.9 | L352 E360 M362 A528 A536 | L352-R532 HydrophobicContact CD1-CB 4.17Å; L352-R532 HydrophobicContact CD2-CB 4.37Å; E360-R532 HydrophobicContact CB-CG 4.45Å; E360-R532 HydrophobicContact CG-CG 3.74Å; E360-R532 IonicContact OE1-CZ 2.74Å; E360-R532 IonicContact OE1-NE 3.03Å; E360-R532 IonicContact OE1-NH1 2.65Å; E360-R532 PolarHBondContact OE1-NH1 3.3Å; E360-R532 IonicContact OE1-NH2 3.83Å; E360-R532 PolarHBondContact OE1-NH2 2.79Å; E360-R532 IonicContact OE2-CZ 2.7Å; E360-R532 IonicContact OE2-NH1 3.92Å; E360-R532 PolarHBondContact OE2-NH1 2.99Å; E360-R532 IonicContact OE2-NH2 3.82Å; M362-R532 HydrophobicContact CE-CB 4.42Å; M362-R532 HydrophobicContact CE-CG 3.77Å; A528-R532 WeakPolarHBondContact O-CA 3.47Å; A528-R532 WeakPolarHBondContact O-CB 3.25Å; A528-R532 PolarHBondContact O-N 3.19Å; R532-A536 WeakPolarHBondContact O-CB 3.37Å; R532-A536 PolarHBondContact O-N 3.3Å |
| 533 | K | 88.7 | Confident | 82.6 | Confident | 53 Ų | 53 | 17.4 Ų | 17.4 | 23% | 0.23 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -67.2 | -36.2 | 175.8 | -71.9 | -179.4 | -173.1 | -137.6 | 0 | 112.3 | L130 L382 H475 C529 I530 I531 K537 | L130-K533 HydrophobicContact CD1-CD 3.92Å; L130-K533 HydrophobicContact CD2-CB 4.15Å; L130-K533 HydrophobicContact CD2-CD 3.68Å; L130-K533 HydrophobicContact CG-CD 4.47Å; L382-K533 HydrophobicContact CD1-CB 4.03Å; H475-K533 PolarHBondContact NE2-NZ 3.29Å; C529-K533 WeakPolarHBondContact O-CB 3.37Å; C529-K533 VanDerWaalsContact O-CG 3.29Å; C529-K533 WeakPolarHBondContact O-CG 3.31Å; C529-K533 PolarHBondContact O-N 3.08Å; C529-K533 VanDerWaalsContact SG-CE 3.57Å; I530-K533 PolarHBondContact O-N 3.39Å; I531-K533 PolarHBondContact O-N 2.99Å; K533-K537 WeakPolarHBondContact O-CB 2.99Å; K533-K537 WeakPolarHBondContact O-CG 3.4Å; K533-K537 PolarHBondContact O-N 3.38Å |
| 534 | Q | 90 | Very high | 82.5 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.6 | -50.7 | 174.6 | 174.2 | 54.1 | 44.5 | 0 | 0 | 111.6 | L382 Y385 I530 I531 K537 V538 | L382-Q534 HydrophobicContact CD1-CB 4.04Å; Y385-Q534 HydrophobicContact CD1-CG 3.99Å; Y385-Q534 HydrophobicContact CD2-CB 4.08Å; Y385-Q534 HydrophobicContact CD2-CG 3.9Å; Y385-Q534 HydrophobicContact CE1-CG 4.35Å; Y385-Q534 HydrophobicContact CE2-CG 4.28Å; Y385-Q534 HydrophobicContact CG-CB 4.14Å; Y385-Q534 HydrophobicContact CG-CG 3.75Å; I530-Q534 WeakPolarHBondContact O-CB 3.15Å; I530-Q534 PolarHBondContact O-N 2.9Å; I531-Q534 WeakPolarHBondContact O-CB 3.5Å; I531-Q534 PolarHBondContact O-N 2.93Å; Q534-K537 WeakPolarHBondContact O-CB 3.04Å; Q534-K537 PolarHBondContact O-N 3Å; Q534-V538 WeakPolarHBondContact O-CG2 3.34Å; Q534-V538 PolarHBondContact O-N 3Å |
| 535 | F | 89.3 | Confident | 82.5 | Confident | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.009 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -81.2 | -28.5 | -174.7 | -75.3 | -73.4 | 0 | 0 | 0 | 112.9 | V184 L188 L251 F344 L348 M362 Y385 I531 K537 V538 I539 | V184-F535 HydrophobicContact CG1-CE1 3.84Å; V184-F535 HydrophobicContact CG1-CZ 3.57Å; L188-F535 HydrophobicContact CD1-CE1 3.79Å; L188-F535 HydrophobicContact CD1-CZ 3.92Å; L251-F535 HydrophobicContact CD1-CE1 4.4Å; F344-F535 HydrophobicContact CE1-CB 3.66Å; F344-F535 HydrophobicContact CE1-CD1 4.45Å; F344-F535 HydrophobicContact CE1-CG 4.48Å; F344-F535 WeakPolarHBondContact CE1-O 3.35Å; F344-F535 HydrophobicContact CE2-CD1 4.14Å; F344-F535 HydrophobicContact CZ-CB 3.62Å; F344-F535 AromaticContact CZ-CD1 3.54Å; F344-F535 HydrophobicContact CZ-CD1 3.54Å; F344-F535 HydrophobicContact CZ-CG 4.04Å; F344-F535 WeakPolarHBondContact CZ-O 3.3Å; L348-F535 HydrophobicContact CD1-CB 3.54Å; L348-F535 HydrophobicContact CD1-CD1 4.3Å; L348-F535 HydrophobicContact CD1-CD2 4.03Å; L348-F535 HydrophobicContact CD1-CG 3.71Å; L348-F535 HydrophobicContact CD2-CD2 3.97Å; L348-F535 HydrophobicContact CD2-CE2 4.16Å; L348-F535 HydrophobicContact CD2-CG 4.38Å; M362-F535 HydrophobicContact SD-CB 4.29Å; Y385-F535 AromaticContact CE2-CE2 3.83Å; Y385-F535 HydrophobicContact CE2-CE2 3.83Å; Y385-F535 HydrophobicContact CE2-CZ 4.35Å; I531-F535 HydrophobicContact CG2-CD2 3.67Å; I531-F535 HydrophobicContact CG2-CE2 3.9Å; I531-F535 VanDerWaalsContact O-CD2 3.29Å; I531-F535 WeakPolarHBondContact O-CD2 3.44Å; I531-F535 PolarHBondContact O-N 3.39Å; F535-K537 PolarHBondContact O-N 2.76Å; F535-V538 PolarHBondContact O-N 3.3Å; F535-I539 HydrophobicContact CB-CD1 4.26Å; F535-I539 HydrophobicContact CD1-CD1 3.82Å; F535-I539 HydrophobicContact CG-CD1 4.29Å; F535-I539 PolarHBondContact O-N 2.94Å |
| 536 | A | 81.1 | Confident | 82.4 | Confident | 18 Ų | 18 | 18.7 Ų | 18.7 | 15% | 0.149 | 8% | 0.083 | C | C | . | . | I | π-helix | trans | -60.4 | -35 | 166 | 0 | 0 | 0 | 0 | 0 | 111.6 | M362 R532 V538 V540 | M362-A536 HydrophobicContact CG-CB 4.2Å; M362-A536 HydrophobicContact SD-CB 3.93Å; M362-A536 PolarHBondContact SD-N 3.39Å; M362-A536 VanDerWaalsContact SD-N 3.44Å; R532-A536 WeakPolarHBondContact O-CB 3.37Å; R532-A536 PolarHBondContact O-N 3.3Å; A536-V538 VanDerWaalsContact C-N 3.26Å; A536-V538 PolarHBondContact O-N 3.22Å; A536-V540 PolarHBondContact O-N 2.89Å |
| 537 | K | 74.5 | Confident | 82.1 | Confident | 33 Ų | 33 | 18.9 Ų | 18.9 | 14% | 0.143 | 8% | 0.083 | C | C | . | . | I | π-helix | trans | -66.3 | -21.6 | 170.6 | -81.7 | -174.7 | 166.7 | -143.7 | 0 | 114.1 | S128 N378 L382 K533 Q534 F535 H542 | S128-K537 PolarHBondContact OG-NZ 3.23Å; N378-K537 PolarHBondContact O-NZ 2.53Å; L382-K537 HydrophobicContact CD2-CD 4.34Å; K533-K537 WeakPolarHBondContact O-CB 2.99Å; K533-K537 WeakPolarHBondContact O-CG 3.4Å; K533-K537 PolarHBondContact O-N 3.38Å; Q534-K537 WeakPolarHBondContact O-CB 3.04Å; Q534-K537 PolarHBondContact O-N 3Å; F535-K537 PolarHBondContact O-N 2.76Å; K537-H542 WeakPolarHBondContact CA-ND1 3.19Å; K537-H542 WeakPolarHBondContact O-CB 3.43Å; K537-H542 PolarHBondContact O-ND1 2.76Å |
| 538 | V | 65.3 | Low | 81.8 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.006 | 8% | 0.084 | C | C | . | . | I | π-helix | trans | -104.8 | -51.3 | -174.3 | 176.5 | 0 | 0 | 0 | 0 | 113.7 | L251 F344 Q534 F535 A536 | L251-V538 HydrophobicContact CG-CG1 4.34Å; F344-V538 HydrophobicContact CE2-CG1 4.31Å; F344-V538 HydrophobicContact CZ-CB 4.22Å; F344-V538 HydrophobicContact CZ-CG1 4.4Å; Q534-V538 WeakPolarHBondContact O-CG2 3.34Å; Q534-V538 PolarHBondContact O-N 3Å; F535-V538 PolarHBondContact O-N 3.3Å; A536-V538 VanDerWaalsContact C-N 3.26Å; A536-V538 PolarHBondContact O-N 3.22Å |
| 539 | I | 60.8 | Low | 81.2 | Confident | 8 Ų | 8 | 19.1 Ų | 19.1 | 4% | 0.041 | 8% | 0.084 | C | C | . | . | I | π-helix | trans | -68.6 | -51.7 | 177 | -84.6 | 111.8 | 0 | 0 | 0 | 110 | T343 F344 L348 F535 W546 | T343-I539 HydrophobicContact CG2-CD1 4.09Å; F344-I539 HydrophobicContact CB-CD1 3.55Å; F344-I539 HydrophobicContact CB-CG1 3.66Å; F344-I539 HydrophobicContact CD1-CB 3.18Å; F344-I539 HydrophobicContact CD1-CD1 2.31Å; F344-I539 HydrophobicContact CD1-CG1 2.3Å; F344-I539 HydrophobicContact CD1-CG2 3.56Å; F344-I539 HydrophobicContact CD2-CB 3.92Å; F344-I539 HydrophobicContact CD2-CD1 2.3Å; F344-I539 HydrophobicContact CD2-CG1 2.31Å; F344-I539 HydrophobicContact CE1-CB 2.72Å; F344-I539 HydrophobicContact CE1-CD1 2.29Å; F344-I539 HydrophobicContact CE1-CG1 2.31Å; F344-I539 HydrophobicContact CE1-CG2 3.7Å; F344-I539 HydrophobicContact CE2-CB 3.54Å; F344-I539 HydrophobicContact CE2-CD1 2.3Å; F344-I539 HydrophobicContact CE2-CG1 2.31Å; F344-I539 HydrophobicContact CG-CB 3.78Å; F344-I539 HydrophobicContact CG-CD1 2.3Å; F344-I539 HydrophobicContact CG-CG1 2.33Å; F344-I539 HydrophobicContact CG-CG2 4.13Å; F344-I539 VanDerWaalsContact CZ-CA 3.46Å; F344-I539 HydrophobicContact CZ-CB 2.91Å; F344-I539 HydrophobicContact CZ-CD1 2.3Å; F344-I539 HydrophobicContact CZ-CG1 2.3Å; F344-I539 HydrophobicContact CZ-CG2 4.32Å; L348-I539 HydrophobicContact CD1-CD1 3.39Å; L348-I539 HydrophobicContact CG-CD1 3.84Å; F535-I539 HydrophobicContact CB-CD1 4.26Å; F535-I539 HydrophobicContact CD1-CD1 3.82Å; F535-I539 HydrophobicContact CG-CD1 4.29Å; F535-I539 PolarHBondContact O-N 2.94Å; I539-W546 HydrophobicContact CB-CH2 4.15Å; I539-W546 HydrophobicContact CB-CZ2 4.26Å; I539-W546 HydrophobicContact CB-CZ3 4.23Å; I539-W546 HydrophobicContact CG1-CE3 4.27Å; I539-W546 HydrophobicContact CG1-CH2 3.33Å; I539-W546 HydrophobicContact CG1-CZ2 3.9Å; I539-W546 HydrophobicContact CG1-CZ3 3.52Å; I539-W546 HydrophobicContact CG2-CH2 4.15Å; I539-W546 HydrophobicContact CG2-CZ2 3.79Å |
| 540 | V | 58.1 | Low | 80.4 | Confident | 18 Ų | 18 | 19.7 Ų | 19.7 | 11% | 0.109 | 9% | 0.086 | C | C | . | . | I | π-helix | trans | -87.5 | -43.2 | -154.1 | -169.7 | 0 | 0 | 0 | 0 | 112.3 | K361 M362 E372 A536 | K361-V540 HydrophobicContact CB-CG1 4.36Å; K361-V540 WeakPolarHBondContact O-CG2 3.38Å; M362-V540 HydrophobicContact CB-CG2 4.34Å; M362-V540 HydrophobicContact CG-CG2 3.73Å; E372-V540 HydrophobicContact CB-CG1 4.18Å; A536-V540 PolarHBondContact O-N 2.89Å |
| 541 | R | 63.4 | Low | 79.4 | Confident | 103 Ų | 103 | 22.2 Ų | 22.2 | 39% | 0.389 | 10% | 0.097 | S | C | . | . | S | Bend | trans | -132.4 | -14.8 | -159.5 | -60.1 | -161.6 | -167.6 | 138.6 | 15.3 | 119.4 | E372 Y373 D374 | E372-R541 HydrophobicContact CB-CG 3.97Å; E372-R541 VanDerWaalsContact O-CA 3.31Å; E372-R541 WeakPolarHBondContact O-CA 3.25Å; E372-R541 WeakPolarHBondContact O-CB 3.38Å; E372-R541 WeakPolarHBondContact O-CG 3.31Å; E372-R541 IonicContact OE2-NE 3.25Å; Y373-R541 CarbonylContact C-O 3.45Å; Y373-R541 WeakPolarHBondContact CA-O 3.33Å; D374-R541 PolarHBondContact N-O 3.22Å |
| 542 | H | 75.8 | Confident | 78.1 | Confident | 11 Ų | 11 | 30 Ų | 30 | 5% | 0.051 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -134 | 7.4 | -170.5 | -38.5 | 110.9 | 0 | 0 | 0 | 115.2 | E377 P379 K537 | E377-H542 WeakPolarHBondContact CB-CD2 3.38Å; E377-H542 WeakPolarHBondContact CB-NE2 3.4Å; P379-H542 HydrophobicContact CB-CB 3.75Å; P379-H542 HydrophobicContact CG-CB 4.28Å; K537-H542 WeakPolarHBondContact CA-ND1 3.19Å; K537-H542 WeakPolarHBondContact O-CB 3.43Å; K537-H542 PolarHBondContact O-ND1 2.76Å |
| 543 | D | 84.2 | Confident | 77.5 | Confident | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.016 | 13% | 0.129 | C | C | . | . | trans | -102.4 | 113.8 | 169.6 | -169.6 | 2.9 | 0 | 0 | 0 | 112.2 | R106 N113 F250 Y545 W546 | R106-D543 IonicContact CZ-OD1 3.93Å; R106-D543 IonicContact CZ-OD2 3.38Å; R106-D543 IonicContact NH1-OD1 2.97Å; R106-D543 PolarHBondContact NH1-OD1 2.96Å; R106-D543 IonicContact NH1-OD2 2.67Å; R106-D543 PolarHBondContact NH1-OD2 3.31Å; R106-D543 IonicContact NH2-OD1 3.86Å; R106-D543 IonicContact NH2-OD2 2.77Å; R106-D543 PolarHBondContact NH2-OD2 3.33Å; N113-D543 PolarHBondContact ND2-OD1 3.48Å; F250-D543 HydrophobicContact CD1-CB 4.03Å; F250-D543 HydrophobicContact CE1-CB 4.44Å; D543-Y545 PolarHBondContact O-N 2.95Å; D543-Y545 PolarHBondContact OD1-N 3.34Å; D543-W546 HydrophobicContact CB-CB 4.19Å; D543-W546 WeakPolarHBondContact O-CB 3.39Å; D543-W546 PolarHBondContact O-N 3.29Å | ||
| 544 | R | 82.5 | Confident | 77 | Confident | 24 Ų | 24 | 27.1 Ų | 27.1 | 9% | 0.091 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -31.9 | 174.3 | -178.9 | 178.4 | 179.3 | -176.9 | 4.3 | 112.6 | N113 Y373 | N113-R544 PolarHBondContact ND2-N 2.82Å; N113-R544 VanDerWaalsContact O-CB 3.27Å; N113-R544 WeakPolarHBondContact O-CB 3.16Å; Y373-R544 HydrophobicContact CE2-CB 3.91Å; Y373-R544 VanDerWaalsContact CE2-N 3.32Å |
| 545 | Y | 87.7 | Confident | 76.7 | Confident | 35 Ų | 35 | 30.6 Ų | 30.6 | 14% | 0.137 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 26 | -179.3 | -52.6 | -91.1 | 0 | 0 | 0 | 111.9 | G103 F105 R106 N113 D543 S554 | G103-Y545 PolarHBondContact O-OH 2.76Å; F105-Y545 VanDerWaalsContact C-CE1 3.44Å; R106-Y545 HydrophobicContact CB-CD1 4.49Å; R106-Y545 HydrophobicContact CB-CD2 3.9Å; R106-Y545 HydrophobicContact CB-CE2 4.13Å; R106-Y545 HydrophobicContact CB-CG 4.09Å; R106-Y545 HydrophobicContact CG-CD2 3.83Å; R106-Y545 HydrophobicContact CG-CE2 4.04Å; R106-Y545 HydrophobicContact CG-CG 4.47Å; N113-Y545 VanDerWaalsContact OD1-CD2 3.25Å; N113-Y545 WeakPolarHBondContact OD1-CD2 3.38Å; D543-Y545 PolarHBondContact O-N 2.95Å; D543-Y545 PolarHBondContact OD1-N 3.34Å; Y545-S554 VanDerWaalsContact CD1-CB 3.48Å |
| 546 | W | 87.8 | Confident | 76.5 | Confident | 11 Ų | 11 | 31 Ų | 31 | 4% | 0.042 | 14% | 0.14 | C | C | . | . | trans | -60.2 | 131.7 | 165.3 | 176.2 | -115.9 | 0 | 0 | 0 | 110.3 | Q340 F344 L364 S370 I539 D543 E548 S549 | Q340-W546 HydrophobicContact CB-CE3 4.31Å; Q340-W546 HydrophobicContact CB-CH2 3.9Å; Q340-W546 HydrophobicContact CB-CZ3 3.49Å; Q340-W546 VanDerWaalsContact CB-CZ3 3.49Å; Q340-W546 HydrophobicContact CG-CE3 4.07Å; Q340-W546 HydrophobicContact CG-CH2 4.48Å; Q340-W546 HydrophobicContact CG-CZ3 3.59Å; Q340-W546 VanDerWaalsContact OE1-CE3 3.26Å; F344-W546 HydrophobicContact CB-CH2 4.17Å; F344-W546 AromaticContact CD2-CH2 3.32Å; F344-W546 HydrophobicContact CD2-CH2 3.32Å; F344-W546 HydrophobicContact CD2-CZ2 4.47Å; F344-W546 AromaticContact CD2-CZ3 3.46Å; F344-W546 HydrophobicContact CD2-CZ3 3.46Å; F344-W546 VanDerWaalsContact CD2-CZ3 3.46Å; F344-W546 HydrophobicContact CE2-CH2 4.21Å; F344-W546 AromaticContact CE2-CZ3 3.82Å; F344-W546 HydrophobicContact CE2-CZ3 3.82Å; F344-W546 AromaticContact CG-CH2 3.83Å; F344-W546 HydrophobicContact CG-CH2 3.83Å; F344-W546 HydrophobicContact CG-CZ3 4.47Å; L364-W546 HydrophobicContact CD2-CH2 4.2Å; L364-W546 HydrophobicContact CD2-CZ2 3.61Å; S370-W546 VanDerWaalsContact OG-CD1 3.24Å; S370-W546 PolarHBondContact OG-NE1 2.67Å; I539-W546 HydrophobicContact CB-CH2 4.15Å; I539-W546 HydrophobicContact CB-CZ2 4.26Å; I539-W546 HydrophobicContact CB-CZ3 4.23Å; I539-W546 HydrophobicContact CG1-CE3 4.27Å; I539-W546 HydrophobicContact CG1-CH2 3.33Å; I539-W546 HydrophobicContact CG1-CZ2 3.9Å; I539-W546 HydrophobicContact CG1-CZ3 3.52Å; I539-W546 HydrophobicContact CG2-CH2 4.15Å; I539-W546 HydrophobicContact CG2-CZ2 3.79Å; D543-W546 HydrophobicContact CB-CB 4.19Å; D543-W546 WeakPolarHBondContact O-CB 3.39Å; D543-W546 PolarHBondContact O-N 3.29Å; W546-E548 VanDerWaalsContact C-N 3.32Å; W546-E548 HydrophobicContact CZ2-CG 4.4Å; W546-E548 PolarHBondContact O-N 2.95Å; W546-S549 WeakPolarHBondContact O-CB 3.41Å; W546-S549 PolarHBondContact O-N 2.85Å | ||
| 547 | Y | 87.5 | Confident | 76.6 | Confident | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -30.6 | -166.2 | 84.5 | -88.5 | 0 | 0 | 0 | 114.4 | A337 Q340 H341 L364 S549 L561 I564 R565 | A337-Y547 VanDerWaalsContact CB-CB 3.48Å; A337-Y547 HydrophobicContact CB-CG 4.11Å; Q340-Y547 HydrophobicContact CB-CD1 3.76Å; Q340-Y547 HydrophobicContact CB-CE1 4.35Å; H341-Y547 HydrophobicContact CB-CE1 3.89Å; H341-Y547 AromaticContact ND1-CZ 3.54Å; H341-Y547 PolarHBondContact ND1-OH 3.18Å; L364-Y547 HydrophobicContact CD2-CE1 4.25Å; Y547-S549 PolarHBondContact O-N 2.88Å; Y547-L561 HydrophobicContact CD2-CD2 4.04Å; Y547-L561 HydrophobicContact CE2-CD2 4.5Å; Y547-L561 WeakPolarHBondContact O-CD2 3.31Å; Y547-I564 HydrophobicContact CD2-CG2 3.65Å; Y547-I564 HydrophobicContact CE2-CG2 3.77Å; Y547-I564 HydrophobicContact CG-CG2 4.39Å; Y547-R565 HydrophobicContact CE2-CG 4.41Å |
| 548 | E | 84.2 | Confident | 76.5 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 10.1 | 176.9 | -54 | -158.8 | 143.2 | 0 | 0 | 113.2 | K365 F369 S370 W546 R565 | K365-E548 PolarHBondContact N-OE2 3.47Å; F369-E548 CarbonylContact C-O 3.5Å; F369-E548 WeakPolarHBondContact CA-O 3.46Å; S370-E548 PolarHBondContact N-O 3.05Å; S370-E548 WeakPolarHBondContact OG-CB 3.16Å; S370-E548 PolarHBondContact OG-O 3.29Å; W546-E548 VanDerWaalsContact C-N 3.32Å; W546-E548 HydrophobicContact CZ2-CG 4.4Å; W546-E548 PolarHBondContact O-N 2.95Å; E548-R565 IonicContact OE1-CZ 3.37Å; E548-R565 VanDerWaalsContact OE1-CZ 3.24Å; E548-R565 IonicContact OE1-NE 3.6Å; E548-R565 PolarHBondContact OE1-NE 3.43Å; E548-R565 IonicContact OE1-NH2 3.35Å; E548-R565 PolarHBondContact OE1-NH2 2.98Å; E548-R565 IonicContact OE2-NH2 3.33Å; E548-R565 PolarHBondContact OE2-NH2 3Å |
| 549 | S | 79.5 | Confident | 77.2 | Confident | 7 Ų | 7 | 37.8 Ų | 37.8 | 5% | 0.049 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -87.7 | 147.6 | -173.1 | -164.5 | 0 | 0 | 0 | 0 | 113.7 | W546 Y547 F551 | W546-S549 WeakPolarHBondContact O-CB 3.41Å; W546-S549 PolarHBondContact O-N 2.85Å; Y547-S549 PolarHBondContact O-N 2.88Å; S549-F551 WeakPolarHBondContact OG-CD2 3.18Å; S549-F551 VanDerWaalsContact OG-CE2 3.29Å; S549-F551 WeakPolarHBondContact OG-CE2 3.25Å |
| 550 | F | 73.8 | Confident | 78.4 | Confident | 22 Ų | 22 | 42.1 Ų | 42.1 | 10% | 0.096 | 21% | 0.207 | C | C | . | . | trans | -98.8 | 17.9 | -178.1 | 74.4 | -85.8 | 0 | 0 | 0 | 114.2 | F369 Y552 R634 I635 | F369-F550 HydrophobicContact CB-CB 4.05Å; F369-F550 HydrophobicContact CD1-CB 3.71Å; F369-F550 HydrophobicContact CD2-CB 4.4Å; F369-F550 HydrophobicContact CE1-CB 4.22Å; F369-F550 HydrophobicContact CG-CB 3.82Å; F550-Y552 PolarHBondContact O-N 3.5Å; F550-R634 HydrophobicContact CZ-CG 4.03Å; F550-I635 HydrophobicContact CD2-CG1 3.9Å; F550-I635 HydrophobicContact CE2-CG1 4.15Å; F550-I635 HydrophobicContact CG-CG1 4.3Å | ||
| 551 | F | 71.8 | Confident | 79.7 | Confident | 53 Ų | 53 | 41.3 Ų | 41.3 | 23% | 0.232 | 20% | 0.202 | C | C | . | . | trans | -79.6 | 111.1 | 178.8 | -63.3 | -60.2 | 0 | 0 | 0 | 112.3 | Y373 S549 S554 E555 | Y373-F551 HydrophobicContact CD1-CD2 4.43Å; Y373-F551 AromaticContact CD1-CE2 3.62Å; Y373-F551 HydrophobicContact CD1-CE2 3.62Å; Y373-F551 AromaticContact CD1-CZ 3.71Å; Y373-F551 HydrophobicContact CD1-CZ 3.71Å; Y373-F551 AromaticContact CG-CE2 3.62Å; Y373-F551 HydrophobicContact CG-CE2 3.62Å; Y373-F551 HydrophobicContact CG-CZ 4.05Å; S549-F551 WeakPolarHBondContact OG-CD2 3.18Å; S549-F551 VanDerWaalsContact OG-CE2 3.29Å; S549-F551 WeakPolarHBondContact OG-CE2 3.25Å; F551-S554 CarbonylContact O-C 3.56Å; F551-S554 WeakPolarHBondContact O-CA 3.18Å; F551-S554 WeakPolarHBondContact O-CB 3.25Å; F551-S554 PolarHBondContact O-N 3.23Å; F551-S554 PolarHBondContact O-OG 3.37Å; F551-E555 PolarHBondContact O-N 3.25Å | ||
| 552 | Y | 66.3 | Low | 80.5 | Confident | 163 Ų | 163 | 40.7 Ų | 40.7 | 64% | 0.639 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 141.8 | 168.4 | -173.5 | -97 | 0 | 0 | 0 | 111.8 | F550 E555 | F550-Y552 PolarHBondContact O-N 3.5Å; Y552-E555 WeakPolarHBondContact CA-OE2 3.34Å; Y552-E555 WeakPolarHBondContact CB-OE2 3.45Å; Y552-E555 PolarHBondContact N-OE2 2.88Å |
| 553 | P | 74.8 | Confident | 81.1 | Confident | 39 Ų | 39 | 45 Ų | 45 | 25% | 0.253 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -94.4 | 23.9 | -8.4 | 33.9 | -26.5 | 0 | 0 | 0 | 113.1 | A102 G104 | A102-P553 VanDerWaalsContact O-CD 3.26Å; A102-P553 WeakPolarHBondContact O-CD 3.3Å; A102-P553 WeakPolarHBondContact O-CG 3.34Å; G104-P553 WeakPolarHBondContact CA-O 3.37Å |
| 554 | S | 78.3 | Confident | 81.3 | Confident | 11 Ų | 11 | 45.4 Ų | 45.4 | 8% | 0.077 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -16.4 | 178.6 | 31.9 | 0 | 0 | 0 | 0 | 114.4 | K333 Y545 F551 | K333-S554 WeakPolarHBondContact CE-O 3.38Å; K333-S554 PolarHBondContact NZ-O 2.89Å; Y545-S554 VanDerWaalsContact CD1-CB 3.48Å; F551-S554 CarbonylContact O-C 3.56Å; F551-S554 WeakPolarHBondContact O-CA 3.18Å; F551-S554 WeakPolarHBondContact O-CB 3.25Å; F551-S554 PolarHBondContact O-N 3.23Å; F551-S554 PolarHBondContact O-OG 3.37Å |
| 555 | E | 83.5 | Confident | 81.6 | Confident | 73 Ų | 73 | 46.3 Ų | 46.3 | 34% | 0.341 | 23% | 0.231 | S | C | . | . | trans | -54.2 | 159.9 | 176.3 | 67.5 | -160.6 | -144.9 | 0 | 0 | 114.7 | K333 F551 Y552 | K333-E555 PolarHBondContact NZ-O 2.95Å; F551-E555 PolarHBondContact O-N 3.25Å; Y552-E555 WeakPolarHBondContact CA-OE2 3.34Å; Y552-E555 WeakPolarHBondContact CB-OE2 3.45Å; Y552-E555 PolarHBondContact N-OE2 2.88Å | ||
| 556 | F | 86.1 | Confident | 81.5 | Confident | 12 Ų | 12 | 50.1 Ų | 50.1 | 5% | 0.053 | 25% | 0.248 | C | C | . | . | trans | -107.8 | 151 | 162.6 | -73.5 | -78.9 | 0 | 0 | 0 | 109 | K333 I334 A337 F369 Q560 L561 I564 | K333-F556 HydrophobicContact CD-CE1 4.14Å; K333-F556 HydrophobicContact CD-CZ 3.95Å; K333-F556 HydrophobicContact CG-CE1 4.32Å; K333-F556 HydrophobicContact CG-CE2 4.22Å; K333-F556 HydrophobicContact CG-CZ 3.69Å; I334-F556 HydrophobicContact CG1-CE1 4.06Å; I334-F556 HydrophobicContact CG1-CZ 4.41Å; A337-F556 HydrophobicContact CB-CE2 3.74Å; A337-F556 HydrophobicContact CB-CZ 3.87Å; F369-F556 VanDerWaalsContact CE1-O 3.25Å; F369-F556 WeakPolarHBondContact CE1-O 3.45Å; F369-F556 WeakPolarHBondContact CZ-O 3.26Å; F556-Q560 HydrophobicContact CB-CB 3.92Å; F556-Q560 HydrophobicContact CD1-CB 4.07Å; F556-Q560 HydrophobicContact CG-CB 4.43Å; F556-L561 HydrophobicContact CB-CD2 3.86Å; F556-L561 HydrophobicContact CB-CG 4.08Å; F556-L561 HydrophobicContact CD2-CD2 4.43Å; F556-I564 HydrophobicContact CB-CD1 4.46Å; F556-I564 HydrophobicContact CD1-CD1 3.79Å; F556-I564 HydrophobicContact CD2-CD1 3.79Å; F556-I564 HydrophobicContact CE1-CD1 3.8Å; F556-I564 HydrophobicContact CE2-CD1 3.8Å; F556-I564 HydrophobicContact CG-CD1 3.77Å; F556-I564 HydrophobicContact CZ-CD1 3.77Å | ||
| 557 | S | 82.3 | Confident | 81.6 | Confident | 54 Ų | 54 | 50.1 Ų | 50.1 | 38% | 0.378 | 25% | 0.249 | S | C | . | . | trans | -65.2 | 157.9 | 172.8 | 77.5 | 0 | 0 | 0 | 0 | 111.6 | T559 Q560 L561 | S557-T559 PolarHBondContact O-N 3.02Å; S557-Q560 WeakPolarHBondContact O-CA 3.41Å; S557-Q560 WeakPolarHBondContact O-CB 3.4Å; S557-Q560 PolarHBondContact O-N 2.9Å; S557-Q560 WeakPolarHBondContact OG-CG 3.42Å; S557-Q560 PolarHBondContact OG-N 2.82Å; S557-Q560 VanDerWaalsContact OG-N 3.15Å; S557-L561 PolarHBondContact O-N 3.5Å | ||
| 558 | S | 73.6 | Confident | 81.8 | Confident | 46 Ų | 46 | 52 Ų | 52 | 32% | 0.322 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -55.4 | -35.7 | 176.1 | 45.7 | 0 | 0 | 0 | 0 | 112.3 | I562 D690 | S558-I562 WeakPolarHBondContact O-CD1 3.38Å; S558-I562 VanDerWaalsContact O-CG1 3.29Å; S558-I562 WeakPolarHBondContact O-CG1 3.49Å; S558-I562 PolarHBondContact O-N 3.12Å; S558-D690 PolarHBondContact OG-OD1 2.88Å |
| 559 | T | 79.4 | Confident | 82 | Confident | 93 Ų | 93 | 51.9 Ų | 51.9 | 57% | 0.571 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -65.5 | -44.7 | 171.1 | -37 | 0 | 0 | 0 | 0 | 112.7 | S557 L561 I562 E563 | S557-T559 PolarHBondContact O-N 3.02Å; T559-L561 PolarHBondContact O-N 3.19Å; T559-I562 PolarHBondContact O-N 3.27Å; T559-E563 PolarHBondContact O-N 3.46Å; T559-E563 VanDerWaalsContact O-N 3.14Å |
| 560 | Q | 87 | Confident | 82.4 | Confident | 100 Ų | 100 | 51.8 Ų | 51.8 | 47% | 0.467 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 178.2 | -74.6 | 170.7 | -25.4 | 0 | 0 | 111.9 | F556 S557 I562 E563 I564 | F556-Q560 HydrophobicContact CB-CB 3.92Å; F556-Q560 HydrophobicContact CD1-CB 4.07Å; F556-Q560 HydrophobicContact CG-CB 4.43Å; S557-Q560 WeakPolarHBondContact O-CA 3.41Å; S557-Q560 WeakPolarHBondContact O-CB 3.4Å; S557-Q560 PolarHBondContact O-N 2.9Å; S557-Q560 WeakPolarHBondContact OG-CG 3.42Å; S557-Q560 PolarHBondContact OG-N 2.82Å; S557-Q560 VanDerWaalsContact OG-N 3.15Å; Q560-I562 VanDerWaalsContact C-N 3.32Å; Q560-I562 PolarHBondContact O-N 3.42Å; Q560-E563 PolarHBondContact O-N 2.98Å; Q560-I564 VanDerWaalsContact O-CG1 3.31Å; Q560-I564 WeakPolarHBondContact O-CG1 3.48Å; Q560-I564 PolarHBondContact O-N 3.21Å |
| 561 | L | 84.2 | Confident | 83 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.4 | -40.6 | 173 | -69 | -179.7 | 0 | 0 | 0 | 112.2 | F369 Y547 F556 S557 T559 E563 I564 R565 | F369-L561 HydrophobicContact CD1-CD1 3.67Å; F369-L561 HydrophobicContact CE1-CD1 3.61Å; F369-L561 HydrophobicContact CG-CD1 4.23Å; F369-L561 HydrophobicContact CZ-CD1 4.12Å; Y547-L561 HydrophobicContact CD2-CD2 4.04Å; Y547-L561 HydrophobicContact CE2-CD2 4.5Å; Y547-L561 WeakPolarHBondContact O-CD2 3.31Å; F556-L561 HydrophobicContact CB-CD2 3.86Å; F556-L561 HydrophobicContact CB-CG 4.08Å; F556-L561 HydrophobicContact CD2-CD2 4.43Å; S557-L561 PolarHBondContact O-N 3.5Å; T559-L561 PolarHBondContact O-N 3.19Å; L561-E563 VanDerWaalsContact C-N 3.32Å; L561-E563 PolarHBondContact O-N 3.35Å; L561-I564 PolarHBondContact O-N 2.9Å; L561-R565 WeakPolarHBondContact O-CB 3.41Å; L561-R565 VanDerWaalsContact O-CG 3.23Å; L561-R565 WeakPolarHBondContact O-CG 3.3Å; L561-R565 PolarHBondContact O-N 2.82Å |
| 562 | I | 81.3 | Confident | 83.8 | Confident | 90 Ų | 90 | 51.8 Ų | 51.8 | 46% | 0.462 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.9 | -36.5 | 177 | -72 | 165.3 | 0 | 0 | 0 | 111.5 | S558 T559 Q560 K566 | S558-I562 WeakPolarHBondContact O-CD1 3.38Å; S558-I562 VanDerWaalsContact O-CG1 3.29Å; S558-I562 WeakPolarHBondContact O-CG1 3.49Å; S558-I562 PolarHBondContact O-N 3.12Å; T559-I562 PolarHBondContact O-N 3.27Å; Q560-I562 VanDerWaalsContact C-N 3.32Å; Q560-I562 PolarHBondContact O-N 3.42Å; I562-K566 WeakPolarHBondContact O-CE 3.3Å; I562-K566 WeakPolarHBondContact O-CG 3.5Å |
| 563 | E | 87.4 | Confident | 84.8 | Confident | 100 Ų | 100 | 45.1 Ų | 45.1 | 47% | 0.467 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -75.2 | -39.5 | 174.6 | -59.4 | -48.1 | 131.3 | 0 | 0 | 112.7 | T559 Q560 L561 R565 K566 | T559-E563 PolarHBondContact O-N 3.46Å; T559-E563 VanDerWaalsContact O-N 3.14Å; Q560-E563 PolarHBondContact O-N 2.98Å; L561-E563 VanDerWaalsContact C-N 3.32Å; L561-E563 PolarHBondContact O-N 3.35Å; E563-R565 VanDerWaalsContact C-N 3.31Å; E563-R565 PolarHBondContact O-N 3.48Å; E563-K566 PolarHBondContact O-N 2.96Å; E563-K566 VanDerWaalsContact O-N 3.12Å; E563-K566 IonicContact OE1-NZ 3.76Å; E563-K566 PolarHBondContact OE1-NZ 3.44Å; E563-K566 WeakPolarHBondContact OE2-CD 3.27Å; E563-K566 WeakPolarHBondContact OE2-CE 3.45Å; E563-K566 IonicContact OE2-NZ 3.68Å; E563-K566 PolarHBondContact OE2-NZ 3.24Å |
| 564 | I | 89 | Confident | 85.3 | Confident | 12 Ų | 12 | 45 Ų | 45 | 6% | 0.062 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.8 | -44.5 | 175.4 | -70.1 | 162.1 | 0 | 0 | 0 | 110.4 | A337 H341 Y547 F556 Q560 L561 K566 T567 | A337-I564 HydrophobicContact CB-CD1 4.05Å; A337-I564 HydrophobicContact CB-CG2 4.17Å; H341-I564 HydrophobicContact CB-CG2 4.24Å; Y547-I564 HydrophobicContact CD2-CG2 3.65Å; Y547-I564 HydrophobicContact CE2-CG2 3.77Å; Y547-I564 HydrophobicContact CG-CG2 4.39Å; F556-I564 HydrophobicContact CB-CD1 4.46Å; F556-I564 HydrophobicContact CD1-CD1 3.79Å; F556-I564 HydrophobicContact CD2-CD1 3.79Å; F556-I564 HydrophobicContact CE1-CD1 3.8Å; F556-I564 HydrophobicContact CE2-CD1 3.8Å; F556-I564 HydrophobicContact CG-CD1 3.77Å; F556-I564 HydrophobicContact CZ-CD1 3.77Å; Q560-I564 VanDerWaalsContact O-CG1 3.31Å; Q560-I564 WeakPolarHBondContact O-CG1 3.48Å; Q560-I564 PolarHBondContact O-N 3.21Å; L561-I564 PolarHBondContact O-N 2.9Å; I564-K566 PolarHBondContact O-N 2.84Å; I564-T567 VanDerWaalsContact O-CB 3.22Å; I564-T567 WeakPolarHBondContact O-CB 3.02Å; I564-T567 PolarHBondContact O-N 2.85Å; I564-T567 PolarHBondContact O-OG1 3.44Å |
| 565 | R | 87.3 | Confident | 85.6 | Confident | 43 Ų | 43 | 46 Ų | 46 | 16% | 0.162 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -1.5 | 177.6 | -72.5 | 170.5 | 176.6 | 148.2 | -5 | 115.4 | K365 S368 Y547 E548 L561 E563 | K365-R565 PolarHBondContact O-NE 3.14Å; K365-R565 PolarHBondContact O-NH2 3.26Å; S368-R565 PolarHBondContact O-NH1 2.71Å; S368-R565 VanDerWaalsContact O-NH1 3.08Å; S368-R565 PolarHBondContact O-NH2 2.99Å; Y547-R565 HydrophobicContact CE2-CG 4.41Å; E548-R565 IonicContact OE1-CZ 3.37Å; E548-R565 VanDerWaalsContact OE1-CZ 3.24Å; E548-R565 IonicContact OE1-NE 3.6Å; E548-R565 PolarHBondContact OE1-NE 3.43Å; E548-R565 IonicContact OE1-NH2 3.35Å; E548-R565 PolarHBondContact OE1-NH2 2.98Å; E548-R565 IonicContact OE2-NH2 3.33Å; E548-R565 PolarHBondContact OE2-NH2 3Å; L561-R565 WeakPolarHBondContact O-CB 3.41Å; L561-R565 VanDerWaalsContact O-CG 3.23Å; L561-R565 WeakPolarHBondContact O-CG 3.3Å; L561-R565 PolarHBondContact O-N 2.82Å; E563-R565 VanDerWaalsContact C-N 3.31Å; E563-R565 PolarHBondContact O-N 3.48Å |
| 566 | K | 86.8 | Confident | 85.7 | Confident | 115 Ų | 115 | 43.6 Ų | 43.6 | 50% | 0.5 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -3.5 | 169.4 | -62.3 | 169.6 | -161.8 | 171.5 | 0 | 112.9 | I562 E563 I564 T568 | I562-K566 WeakPolarHBondContact O-CE 3.3Å; I562-K566 WeakPolarHBondContact O-CG 3.5Å; E563-K566 PolarHBondContact O-N 2.96Å; E563-K566 VanDerWaalsContact O-N 3.12Å; E563-K566 IonicContact OE1-NZ 3.76Å; E563-K566 PolarHBondContact OE1-NZ 3.44Å; E563-K566 WeakPolarHBondContact OE2-CD 3.27Å; E563-K566 WeakPolarHBondContact OE2-CE 3.45Å; E563-K566 IonicContact OE2-NZ 3.68Å; E563-K566 PolarHBondContact OE2-NZ 3.24Å; I564-K566 PolarHBondContact O-N 2.84Å; K566-T568 PolarHBondContact O-N 3.41Å |
| 567 | T | 89.6 | Confident | 85.4 | Confident | 11 Ų | 11 | 43.6 Ų | 43.6 | 7% | 0.067 | 23% | 0.228 | C | C | . | . | trans | -73 | 127.2 | -179.2 | -55 | 0 | 0 | 0 | 0 | 110 | Q338 H341 I342 I564 I572 | Q338-T567 HydrophobicContact CB-CG2 4.04Å; Q338-T567 HydrophobicContact CG-CG2 3.87Å; Q338-T567 VanDerWaalsContact NE2-CG2 3.31Å; Q338-T567 PolarHBondContact NE2-OG1 3.39Å; H341-T567 PolarHBondContact CD2-O 3.36Å; H341-T567 VanDerWaalsContact CD2-O 3.32Å; I342-T567 HydrophobicContact CD1-CG2 4.07Å; I342-T567 HydrophobicContact CG1-CG2 4.34Å; I564-T567 VanDerWaalsContact O-CB 3.22Å; I564-T567 WeakPolarHBondContact O-CB 3.02Å; I564-T567 PolarHBondContact O-N 2.85Å; I564-T567 PolarHBondContact O-OG1 3.44Å; T567-I572 HydrophobicContact CG2-CD1 3.71Å; T567-I572 HydrophobicContact CG2-CG1 3.97Å | ||
| 568 | T | 90.9 | Very high | 84.9 | Confident | 45 Ų | 45 | 51.2 Ų | 51.2 | 28% | 0.276 | 25% | 0.254 | S | S | . | . | trans | -123.7 | 154 | 165.2 | 69.2 | 0 | 0 | 0 | 0 | 110.8 | E346 K566 A570 R571 I572 | E346-T568 WeakPolarHBondContact OE1-CA 3.27Å; E346-T568 WeakPolarHBondContact OE1-CB 3.45Å; K566-T568 PolarHBondContact O-N 3.41Å; T568-A570 PolarHBondContact O-N 3.41Å; T568-R571 WeakPolarHBondContact O-CA 3.4Å; T568-R571 WeakPolarHBondContact O-CB 3.34Å; T568-R571 PolarHBondContact O-N 3.06Å; T568-R571 PolarHBondContact OG1-N 2.89Å; T568-I572 WeakPolarHBondContact O-CG1 2.9Å; T568-I572 PolarHBondContact O-N 3.45Å | ||
| 569 | L | 89.7 | Confident | 84.7 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.5 | -34.9 | 178.1 | -176 | 54.6 | 0 | 0 | 0 | 111.9 | L176 W180 W304 I342 E346 R571 I572 L573 A587 F588 | L176-L569 HydrophobicContact CD2-CD2 3.54Å; L176-L569 HydrophobicContact CD2-CG 4.07Å; L176-L569 HydrophobicContact CG-CD2 3.93Å; W180-L569 HydrophobicContact CD2-CD2 4.23Å; W180-L569 HydrophobicContact CE3-CD1 4.08Å; W180-L569 HydrophobicContact CE3-CD2 3.59Å; W180-L569 HydrophobicContact CE3-CG 4.5Å; W180-L569 HydrophobicContact CH2-CD1 4.45Å; W180-L569 HydrophobicContact CZ3-CD1 3.61Å; W180-L569 HydrophobicContact CZ3-CD2 3.94Å; W180-L569 HydrophobicContact CZ3-CG 4.4Å; W304-L569 HydrophobicContact CZ2-CD1 4.31Å; I342-L569 HydrophobicContact CD1-CB 4.11Å; I342-L569 HydrophobicContact CD1-CD1 4.38Å; I342-L569 HydrophobicContact CG1-CB 4.48Å; I342-L569 HydrophobicContact CG2-CB 3.92Å; I342-L569 HydrophobicContact CG2-CD2 4.44Å; E346-L569 PolarHBondContact OE1-N 2.89Å; L569-R571 VanDerWaalsContact C-N 3.28Å; L569-R571 PolarHBondContact O-N 3.44Å; L569-I572 HydrophobicContact CD1-CB 4.43Å; L569-I572 PolarHBondContact O-N 2.89Å; L569-L573 HydrophobicContact CG-CD1 4.31Å; L569-L573 WeakPolarHBondContact O-CG 3.42Å; L569-L573 PolarHBondContact O-N 2.94Å; L569-A587 HydrophobicContact CB-CB 4.05Å; L569-A587 HydrophobicContact CD2-CB 4.34Å; L569-A587 HydrophobicContact CG-CB 4.12Å; L569-F588 HydrophobicContact CD2-CD1 4.19Å; L569-F588 HydrophobicContact CD2-CE1 3.29Å; L569-F588 HydrophobicContact CD2-CE2 4.44Å; L569-F588 HydrophobicContact CD2-CZ 3.45Å; L569-F588 VanDerWaalsContact CD2-CZ 3.45Å |
| 570 | A | 86.9 | Confident | 84.4 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 3% | 0.033 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.7 | -41.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T568 L573 C574 I583 Q584 P585 A587 | T568-A570 PolarHBondContact O-N 3.41Å; A570-L573 PolarHBondContact O-N 3.27Å; A570-C574 PolarHBondContact O-N 2.92Å; A570-C574 VanDerWaalsContact O-N 3.15Å; A570-I583 HydrophobicContact CB-CD1 4.29Å; A570-I583 HydrophobicContact CB-CG1 4.49Å; A570-I583 HydrophobicContact CB-CG2 3.96Å; A570-Q584 WeakPolarHBondContact CB-O 3.39Å; A570-P585 VanDerWaalsContact CB-O 3.29Å; A570-P585 WeakPolarHBondContact CB-O 3.16Å; A570-A587 HydrophobicContact CB-CB 4.15Å |
| 571 | R | 86.6 | Confident | 83.4 | Confident | 74 Ų | 74 | 50 Ų | 50 | 28% | 0.279 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.4 | -43.5 | 176 | -175.1 | 68.7 | -153.6 | -168.5 | 10.1 | 111.8 | T568 L569 L573 C574 D575 S603 | T568-R571 WeakPolarHBondContact O-CA 3.4Å; T568-R571 WeakPolarHBondContact O-CB 3.34Å; T568-R571 PolarHBondContact O-N 3.06Å; T568-R571 PolarHBondContact OG1-N 2.89Å; L569-R571 VanDerWaalsContact C-N 3.28Å; L569-R571 PolarHBondContact O-N 3.44Å; R571-L573 VanDerWaalsContact C-N 3.29Å; R571-L573 PolarHBondContact O-N 3.12Å; R571-C574 PolarHBondContact O-N 2.83Å; R571-D575 IonicContact CZ-OD1 3.55Å; R571-D575 IonicContact CZ-OD2 3.49Å; R571-D575 IonicContact NE-OD1 3.71Å; R571-D575 IonicContact NE-OD2 3.49Å; R571-D575 PolarHBondContact NE-OD2 3.23Å; R571-D575 IonicContact NH2-OD1 3.42Å; R571-D575 PolarHBondContact NH2-OD1 2.9Å; R571-D575 IonicContact NH2-OD2 2.68Å; R571-D575 PolarHBondContact NH2-OD2 2.87Å; R571-D575 VanDerWaalsContact O-CB 3.31Å; R571-D575 WeakPolarHBondContact O-CB 3.48Å; R571-D575 PolarHBondContact O-N 2.77Å; R571-S603 PolarHBondContact NH1-O 2.91Å |
| 572 | I | 90 | Very high | 82.6 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58 | -42.2 | 176.7 | -59.2 | -59.6 | 0 | 0 | 0 | 111.3 | V303 W304 Q307 I342 T567 T568 L569 D575 N576 | V303-I572 HydrophobicContact CG1-CG2 4.02Å; W304-I572 HydrophobicContact CE3-CG2 4.49Å; W304-I572 HydrophobicContact CH2-CD1 4.17Å; W304-I572 HydrophobicContact CH2-CG1 3.86Å; W304-I572 HydrophobicContact CH2-CG2 4.01Å; W304-I572 HydrophobicContact CZ2-CG1 4.33Å; W304-I572 HydrophobicContact CZ2-CG2 4.07Å; W304-I572 HydrophobicContact CZ3-CD1 4.4Å; W304-I572 HydrophobicContact CZ3-CG2 4.23Å; Q307-I572 HydrophobicContact CB-CG2 4.31Å; Q307-I572 HydrophobicContact CG-CD1 4.1Å; Q307-I572 HydrophobicContact CG-CG2 4.15Å; Q307-I572 VanDerWaalsContact NE2-CD1 3.3Å; I342-I572 HydrophobicContact CD1-CG1 4Å; T567-I572 HydrophobicContact CG2-CD1 3.71Å; T567-I572 HydrophobicContact CG2-CG1 3.97Å; T568-I572 WeakPolarHBondContact O-CG1 2.9Å; T568-I572 PolarHBondContact O-N 3.45Å; L569-I572 HydrophobicContact CD1-CB 4.43Å; L569-I572 PolarHBondContact O-N 2.89Å; I572-D575 PolarHBondContact O-N 3.08Å; I572-N576 PolarHBondContact O-N 2.85Å; I572-N576 PolarHBondContact O-ND2 2.76Å |
| 573 | L | 86 | Confident | 82.3 | Confident | 23 Ų | 23 | 50.3 Ų | 50.3 | 12% | 0.12 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.9 | -54.2 | 177.8 | -72.6 | 165.2 | 0 | 0 | 0 | 111.5 | L176 V303 L569 A570 R571 D575 N576 V577 L580 I583 A587 | L176-L573 HydrophobicContact CD2-CD1 3.82Å; V303-L573 HydrophobicContact CG1-CD2 4.13Å; V303-L573 HydrophobicContact CG2-CD2 4.2Å; L569-L573 HydrophobicContact CG-CD1 4.31Å; L569-L573 WeakPolarHBondContact O-CG 3.42Å; L569-L573 PolarHBondContact O-N 2.94Å; A570-L573 PolarHBondContact O-N 3.27Å; R571-L573 VanDerWaalsContact C-N 3.29Å; R571-L573 PolarHBondContact O-N 3.12Å; L573-D575 PolarHBondContact O-N 3.35Å; L573-N576 PolarHBondContact O-N 2.84Å; L573-N576 VanDerWaalsContact O-N 3.15Å; L573-V577 HydrophobicContact CD2-CG2 4.49Å; L573-V577 WeakPolarHBondContact O-CB 3.29Å; L573-V577 WeakPolarHBondContact O-CG2 3.12Å; L573-V577 PolarHBondContact O-N 2.84Å; L573-L580 HydrophobicContact CB-CD2 3.72Å; L573-I583 HydrophobicContact CB-CD1 4.1Å; L573-I583 HydrophobicContact CD1-CD1 3.65Å; L573-A587 HydrophobicContact CD1-CB 4.49Å |
| 574 | C | 85 | Confident | 81.6 | Confident | 37 Ų | 37 | 46.5 Ų | 46.5 | 25% | 0.25 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.1 | -25.8 | 177.5 | -78.8 | 0 | 0 | 0 | 0 | 114 | A570 R571 N576 L580 I583 | A570-C574 PolarHBondContact O-N 2.92Å; A570-C574 VanDerWaalsContact O-N 3.15Å; R571-C574 PolarHBondContact O-N 2.83Å; C574-N576 VanDerWaalsContact C-N 3.32Å; C574-L580 PolarHBondContact SG-O 2.85Å; C574-L580 VanDerWaalsContact SG-O 3.36Å; C574-I583 WeakPolarHBondContact SG-CG2 3.21Å |
| 575 | D | 84.8 | Confident | 80.8 | Confident | 32 Ų | 32 | 48.3 Ų | 48.3 | 17% | 0.171 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -77.1 | -13.8 | 177.3 | -91.1 | -35.6 | 0 | 0 | 0 | 114.4 | R310 R571 I572 L573 | R310-D575 IonicContact CZ-OD1 2.71Å; R310-D575 IonicContact CZ-OD2 2.77Å; R310-D575 VanDerWaalsContact NH1-CB 3.25Å; R310-D575 PolarHBondContact NH1-O 3.44Å; R310-D575 IonicContact NH1-OD1 3.17Å; R310-D575 PolarHBondContact NH1-OD1 2.84Å; R310-D575 IonicContact NH2-OD1 3.05Å; R310-D575 PolarHBondContact NH2-OD1 2.8Å; R310-D575 IonicContact NH2-OD2 3.96Å; R310-D575 PolarHBondContact NH2-OD2 2.96Å; R571-D575 IonicContact CZ-OD1 3.55Å; R571-D575 IonicContact CZ-OD2 3.49Å; R571-D575 IonicContact NE-OD1 3.71Å; R571-D575 IonicContact NE-OD2 3.49Å; R571-D575 PolarHBondContact NE-OD2 3.23Å; R571-D575 IonicContact NH2-OD1 3.42Å; R571-D575 PolarHBondContact NH2-OD1 2.9Å; R571-D575 IonicContact NH2-OD2 2.68Å; R571-D575 PolarHBondContact NH2-OD2 2.87Å; R571-D575 VanDerWaalsContact O-CB 3.31Å; R571-D575 WeakPolarHBondContact O-CB 3.48Å; R571-D575 PolarHBondContact O-N 2.77Å; I572-D575 PolarHBondContact O-N 3.08Å; L573-D575 PolarHBondContact O-N 3.35Å |
| 576 | N | 85.6 | Confident | 80.4 | Confident | 21 Ų | 21 | 47.7 Ų | 47.7 | 11% | 0.112 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -123.7 | -26.3 | -176.6 | -66.3 | -77.1 | 0 | 0 | 0 | 113.8 | V303 L306 Q307 I572 L573 C574 K578 | V303-N576 HydrophobicContact CG1-CB 4.39Å; L306-N576 HydrophobicContact CB-CB 4.06Å; L306-N576 PolarHBondContact O-OD1 2.79Å; Q307-N576 VanDerWaalsContact CA-OD1 3.3Å; Q307-N576 WeakPolarHBondContact CA-OD1 3.41Å; Q307-N576 PolarHBondContact N-OD1 2.81Å; Q307-N576 PolarHBondContact OE1-ND2 3.11Å; I572-N576 PolarHBondContact O-N 2.85Å; I572-N576 PolarHBondContact O-ND2 2.76Å; L573-N576 PolarHBondContact O-N 2.84Å; L573-N576 VanDerWaalsContact O-N 3.15Å; C574-N576 VanDerWaalsContact C-N 3.32Å; N576-K578 PolarHBondContact O-N 3.36Å |
| 577 | V | 80 | Confident | 80.4 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | trans | -97.6 | 92.5 | -178.7 | -171.4 | 0 | 0 | 0 | 0 | 109.8 | V303 L428 L573 S579 L580 | V303-V577 HydrophobicContact CG2-CG2 3.86Å; L428-V577 HydrophobicContact CD2-CB 4.15Å; L428-V577 HydrophobicContact CD2-CG1 3.65Å; L428-V577 HydrophobicContact CD2-CG2 3.37Å; L573-V577 HydrophobicContact CD2-CG2 4.49Å; L573-V577 WeakPolarHBondContact O-CB 3.29Å; L573-V577 WeakPolarHBondContact O-CG2 3.12Å; L573-V577 PolarHBondContact O-N 2.84Å; V577-S579 PolarHBondContact O-N 2.91Å; V577-S579 VanDerWaalsContact O-N 3.09Å; V577-L580 HydrophobicContact CB-CB 3.81Å; V577-L580 HydrophobicContact CB-CD2 4.33Å; V577-L580 HydrophobicContact CG1-CB 3.74Å; V577-L580 WeakPolarHBondContact O-CB 3.22Å; V577-L580 PolarHBondContact O-N 2.75Å | ||
| 578 | K | 72.6 | Confident | 80.2 | Confident | 213 Ų | 213 | 42 Ų | 42 | 93% | 0.926 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -23.1 | -171.3 | -67.1 | -179.7 | -178.7 | 173.4 | 0 | 115.4 | N576 | N576-K578 PolarHBondContact O-N 3.36Š|
| 579 | S | 69.4 | Low | 79.8 | Confident | 64 Ų | 64 | 41.9 Ų | 41.9 | 45% | 0.448 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -13.4 | 176.2 | 55 | 0 | 0 | 0 | 0 | 113.7 | E429 V577 V581 | E429-S579 WeakPolarHBondContact OE1-CB 3.36Å; E429-S579 PolarHBondContact OE1-OG 3.31Å; V577-S579 PolarHBondContact O-N 2.91Å; V577-S579 VanDerWaalsContact O-N 3.09Å; S579-V581 VanDerWaalsContact C-N 3.25Å; S579-V581 PolarHBondContact O-N 3.47Å |
| 580 | L | 71.6 | Confident | 79.1 | Confident | 43 Ų | 43 | 44.3 Ų | 44.3 | 23% | 0.225 | 24% | 0.241 | C | C | . | . | trans | -80.3 | 72 | -178.6 | -171.3 | 68.9 | 0 | 0 | 0 | 110.8 | L573 C574 V577 N582 I583 | L573-L580 HydrophobicContact CB-CD2 3.72Å; C574-L580 PolarHBondContact SG-O 2.85Å; C574-L580 VanDerWaalsContact SG-O 3.36Å; V577-L580 HydrophobicContact CB-CB 3.81Å; V577-L580 HydrophobicContact CB-CD2 4.33Å; V577-L580 HydrophobicContact CG1-CB 3.74Å; V577-L580 WeakPolarHBondContact O-CB 3.22Å; V577-L580 PolarHBondContact O-N 2.75Å; L580-N582 WeakPolarHBondContact CD1-O 3.47Å; L580-N582 PolarHBondContact O-N 3.37Å; L580-I583 HydrophobicContact CD2-CB 4.41Å; L580-I583 HydrophobicContact CD2-CD1 4.05Å | ||
| 581 | V | 66.5 | Low | 78.2 | Confident | 107 Ų | 107 | 47 Ų | 47 | 65% | 0.648 | 26% | 0.264 | S | S | * | . | trans | -61.5 | -31.1 | 179.1 | -176.9 | 0 | 0 | 0 | 0 | 112 | S579 | S579-V581 VanDerWaalsContact C-N 3.25Å; S579-V581 PolarHBondContact O-N 3.47Å | ||
| 582 | N | 68.5 | Low | 77.1 | Confident | 70 Ų | 70 | 45.9 Ų | 45.9 | 37% | 0.374 | 26% | 0.263 | S | S | . | . | trans | -135.2 | 128.7 | -171.2 | -79.5 | -27.6 | 0 | 0 | 0 | 110.7 | L580 W600 | L580-N582 WeakPolarHBondContact CD1-O 3.47Å; L580-N582 PolarHBondContact O-N 3.37Å; N582-W600 HydrophobicContact CB-CD2 4.27Å; N582-W600 HydrophobicContact CB-CE3 3.6Å; N582-W600 HydrophobicContact CB-CZ3 3.96Å; N582-W600 WeakPolarHBondContact OD1-CB 3.49Å | ||
| 583 | I | 73.4 | Confident | 75.5 | Confident | 27 Ų | 27 | 52.6 Ų | 52.6 | 14% | 0.138 | 30% | 0.299 | C | S | . | . | trans | -140.9 | 155.7 | 166.7 | -163.9 | 164.3 | 0 | 0 | 0 | 109.2 | A570 L573 C574 L580 | A570-I583 HydrophobicContact CB-CD1 4.29Å; A570-I583 HydrophobicContact CB-CG1 4.49Å; A570-I583 HydrophobicContact CB-CG2 3.96Å; L573-I583 HydrophobicContact CB-CD1 4.1Å; L573-I583 HydrophobicContact CD1-CD1 3.65Å; C574-I583 WeakPolarHBondContact SG-CG2 3.21Å; L580-I583 HydrophobicContact CD2-CB 4.41Å; L580-I583 HydrophobicContact CD2-CD1 4.05Å | ||
| 584 | Q | 72.7 | Confident | 74 | Confident | 21 Ų | 21 | 61.4 Ų | 61.4 | 10% | 0.098 | 33% | 0.332 | C | S | . | . | trans | -84 | 150.2 | 169.7 | 66.3 | 76.2 | 11.1 | 0 | 0 | 110.6 | A570 A586 M589 A591 | A570-Q584 WeakPolarHBondContact CB-O 3.39Å; Q584-A586 VanDerWaalsContact NE2-C 3.3Å; Q584-A586 PolarHBondContact NE2-O 3.18Å; Q584-A586 PolarHBondContact O-N 3.47Å; Q584-A586 PolarHBondContact OE1-O 3.4Å; Q584-M589 PolarHBondContact NE2-O 3.42Å; Q584-A591 HydrophobicContact CB-CB 4.06Å; Q584-A591 HydrophobicContact CG-CB 4.08Å | ||
| 585 | P | 72.3 | Confident | 72.3 | Confident | 50 Ų | 50 | 66.9 Ų | 66.9 | 33% | 0.325 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -68.9 | -26.8 | -163.8 | -22.7 | 35.1 | 0 | 0 | 0 | 117.3 | A570 V601 | A570-P585 VanDerWaalsContact CB-O 3.29Å; A570-P585 WeakPolarHBondContact CB-O 3.16Å; P585-V601 HydrophobicContact CG-CG2 4.05Å |
| 586 | A | 80.8 | Confident | 70.6 | Confident | 30 Ų | 30 | 68.8 Ų | 68.8 | 25% | 0.248 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -110.3 | 75.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q584 F588 M589 | Q584-A586 VanDerWaalsContact NE2-C 3.3Å; Q584-A586 PolarHBondContact NE2-O 3.18Å; Q584-A586 PolarHBondContact O-N 3.47Å; Q584-A586 PolarHBondContact OE1-O 3.4Å; A586-F588 PolarHBondContact O-N 2.85Å; A586-M589 HydrophobicContact CB-SD 4.44Å; A586-M589 PolarHBondContact O-N 3.04Å |
| 587 | A | 84.8 | Confident | 68.6 | Low | 6 Ų | 6 | 70.9 Ų | 70.9 | 5% | 0.05 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -21.5 | -152.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | S174 L176 L569 A570 L573 M589 | S174-A587 PolarHBondContact OG-O 2.65Å; L176-A587 HydrophobicContact CD2-CB 3.61Å; L569-A587 HydrophobicContact CB-CB 4.05Å; L569-A587 HydrophobicContact CD2-CB 4.34Å; L569-A587 HydrophobicContact CG-CB 4.12Å; A570-A587 HydrophobicContact CB-CB 4.15Å; L573-A587 HydrophobicContact CD1-CB 4.49Å; A587-M589 VanDerWaalsContact C-N 3.27Å; A587-M589 PolarHBondContact O-N 3.46Å |
| 588 | F | 87.1 | Confident | 66.8 | Low | 1 Ų | 1 | 78 Ų | 78 | 0% | 0.004 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -10.4 | 175.4 | -58.9 | -45.9 | 0 | 0 | 0 | 115 | S174 L176 L177 W180 I342 E346 F347 M350 L569 A586 | S174-F588 PolarHBondContact N-O 2.94Å; S174-F588 VanDerWaalsContact OG-C 3.28Å; S174-F588 WeakPolarHBondContact OG-CA 3.27Å; S174-F588 PolarHBondContact OG-O 2.71Å; L176-F588 HydrophobicContact CB-CD1 4.27Å; L176-F588 HydrophobicContact CD2-CD1 4.42Å; L176-F588 HydrophobicContact CD2-CE1 4.49Å; L176-F588 HydrophobicContact CG-CD1 4.16Å; L176-F588 HydrophobicContact CG-CE1 4.16Å; L177-F588 HydrophobicContact CB-CB 4.23Å; L177-F588 HydrophobicContact CB-CD1 4.35Å; L177-F588 HydrophobicContact CD1-CB 3.89Å; L177-F588 HydrophobicContact CD1-CD1 4.38Å; L177-F588 HydrophobicContact CD1-CD2 4.47Å; L177-F588 HydrophobicContact CD1-CG 4Å; W180-F588 HydrophobicContact CB-CD1 4.42Å; W180-F588 HydrophobicContact CB-CE1 3.44Å; W180-F588 VanDerWaalsContact CB-CE1 3.44Å; W180-F588 HydrophobicContact CB-CZ 3.88Å; W180-F588 AromaticContact CD1-CZ 3.77Å; W180-F588 HydrophobicContact CD2-CE1 4.08Å; W180-F588 AromaticContact CD2-CZ 3.76Å; W180-F588 HydrophobicContact CD2-CZ 3.76Å; W180-F588 HydrophobicContact CE3-CE1 4.47Å; W180-F588 HydrophobicContact CE3-CZ 4.34Å; W180-F588 AromaticContact CG-CE1 3.61Å; W180-F588 HydrophobicContact CG-CE1 3.61Å; W180-F588 AromaticContact CG-CZ 3.5Å; W180-F588 HydrophobicContact CG-CZ 3.5Å; I342-F588 HydrophobicContact CG2-CE2 4.24Å; I342-F588 HydrophobicContact CG2-CZ 4.05Å; E346-F588 HydrophobicContact CB-CD2 3.83Å; E346-F588 HydrophobicContact CB-CE2 3.56Å; F347-F588 HydrophobicContact CB-CD2 4.3Å; F347-F588 HydrophobicContact CB-CE2 3.6Å; F347-F588 HydrophobicContact CB-CZ 4.05Å; F347-F588 HydrophobicContact CD2-CE2 4.35Å; F347-F588 HydrophobicContact CD2-CZ 4.33Å; F347-F588 HydrophobicContact CG-CE2 4.48Å; M350-F588 HydrophobicContact CE-CB 4.11Å; M350-F588 HydrophobicContact SD-CB 3.57Å; M350-F588 VanDerWaalsContact SD-CB 3.57Å; M350-F588 HydrophobicContact SD-CD2 4.36Å; M350-F588 HydrophobicContact SD-CG 4.43Å; L569-F588 HydrophobicContact CD2-CD1 4.19Å; L569-F588 HydrophobicContact CD2-CE1 3.29Å; L569-F588 HydrophobicContact CD2-CE2 4.44Å; L569-F588 HydrophobicContact CD2-CZ 3.45Å; L569-F588 VanDerWaalsContact CD2-CZ 3.45Å; A586-F588 PolarHBondContact O-N 2.85Å |
| 589 | M | 80.9 | Confident | 65.3 | Low | 41 Ų | 41 | 72.3 Ų | 72.3 | 20% | 0.202 | 40% | 0.402 | C | S | . | . | B | Isolated β-bridge | trans | -95.5 | 162.7 | 175 | -63.9 | 179.5 | 70.7 | 0 | 0 | 112.3 | T172 M350 Q584 A586 A587 F596 | T172-M589 CarbonylContact O-C 3.54Å; T172-M589 WeakPolarHBondContact O-CA 3.37Å; T172-M589 WeakPolarHBondContact O-CB 3.41Å; M350-M589 HydrophobicContact CE-CG 3.88Å; M350-M589 HydrophobicContact SD-CG 4.27Å; Q584-M589 PolarHBondContact NE2-O 3.42Å; A586-M589 HydrophobicContact CB-SD 4.44Å; A586-M589 PolarHBondContact O-N 3.04Å; A587-M589 VanDerWaalsContact C-N 3.27Å; A587-M589 PolarHBondContact O-N 3.46Å; M589-F596 HydrophobicContact CE-CE2 4.03Å; M589-F596 HydrophobicContact CE-CZ 4.33Å; M589-F596 HydrophobicContact SD-CE2 4.36Å; M589-F596 HydrophobicContact SD-CZ 4.18Å |
| 590 | T | 75.6 | Confident | 64.1 | Low | 51 Ų | 51 | 76.2 Ų | 76.2 | 31% | 0.313 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 152.2 | 158.4 | 50.7 | 0 | 0 | 0 | 0 | 109.5 | T172 D592 | T172-T590 VanDerWaalsContact C-OG1 3.31Å; T172-T590 VanDerWaalsContact CA-OG1 3.29Å; T172-T590 WeakPolarHBondContact CA-OG1 3.02Å; T172-T590 PolarHBondContact O-N 3.11Å; T172-T590 PolarHBondContact O-OG1 3.4Å; T590-D592 PolarHBondContact O-N 3.38Å |
| 591 | A | 67.2 | Low | 62.6 | Low | 62 Ų | 62 | 76.6 Ų | 76.6 | 51% | 0.512 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 124.1 | 175 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q584 | Q584-A591 HydrophobicContact CB-CB 4.06Å; Q584-A591 HydrophobicContact CG-CB 4.08Å |
| 592 | D | 63.7 | Low | 61.3 | Low | 50 Ų | 50 | 77.9 Ų | 77.9 | 27% | 0.267 | 41% | 0.408 | S | S | . | . | trans | -104.4 | 142.7 | 169.6 | 175 | 48.8 | 0 | 0 | 0 | 111 | T590 Y594 E595 F596 | T590-D592 PolarHBondContact O-N 3.38Å; D592-Y594 PolarHBondContact OD1-N 3.48Å; D592-Y594 WeakPolarHBondContact OD2-CA 3.39Å; D592-Y594 WeakPolarHBondContact OD2-CB 3.35Å; D592-Y594 PolarHBondContact OD2-N 3.22Å; D592-E595 PolarHBondContact OD2-N 2.93Å; D592-F596 HydrophobicContact CB-CD2 4.28Å | ||
| 593 | N | 57.5 | Low | 60.1 | Low | 142 Ų | 142 | 79.2 Ų | 79.2 | 76% | 0.759 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -11.8 | -177.9 | -64.8 | -50.1 | 0 | 0 | 0 | 113.3 | ||
| 594 | Y | 54.2 | Low | 58.7 | Low | 209 Ų | 209 | 81.8 Ų | 81.8 | 82% | 0.82 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | -46.1 | -174.5 | -61.4 | -80.3 | 0 | 0 | 0 | 112.8 | D592 | D592-Y594 PolarHBondContact OD1-N 3.48Å; D592-Y594 WeakPolarHBondContact OD2-CA 3.39Å; D592-Y594 WeakPolarHBondContact OD2-CB 3.35Å; D592-Y594 PolarHBondContact OD2-N 3.22Å |
| 595 | E | 48.9 | Very low | 57.1 | Low | 152 Ų | 152 | 88 Ų | 88 | 71% | 0.71 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -25.7 | -178.3 | -65 | -168 | 152 | 0 | 0 | 113.8 | D592 | D592-E595 PolarHBondContact OD2-N 2.93Š|
| 596 | F | 50.5 | Low | 55.6 | Low | 71 Ų | 71 | 91 Ų | 91 | 31% | 0.311 | 49% | 0.494 | S | S | . | . | trans | -116.1 | 29.5 | -172.9 | -59.9 | -75.9 | 0 | 0 | 0 | 114.6 | M589 D592 F598 | M589-F596 HydrophobicContact CE-CE2 4.03Å; M589-F596 HydrophobicContact CE-CZ 4.33Å; M589-F596 HydrophobicContact SD-CE2 4.36Å; M589-F596 HydrophobicContact SD-CZ 4.18Å; D592-F596 HydrophobicContact CB-CD2 4.28Å; F596-F598 PolarHBondContact O-N 3.32Å | ||
| 597 | G | 41.7 | Very low | 53.5 | Low | 65 Ų | 65 | 94.2 Ų | 94.2 | 67% | 0.67 | 51% | 0.51 | S | S | * | . | trans | -66.2 | 22 | -173.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 598 | F | 42.5 | Very low | 51.4 | Low | 164 Ų | 164 | 98.1 Ų | 98.1 | 72% | 0.719 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -100.2 | 152.6 | 170 | -88.8 | -94 | 0 | 0 | 0 | 110.7 | F596 | F596-F598 PolarHBondContact O-N 3.32Š|
| 599 | P | 41.1 | Very low | 49.2 | Very low | 92 Ų | 92 | 102.8 Ų | 102.8 | 60% | 0.597 | 56% | 0.559 | S | S | * | * | trans | -64.7 | 141.7 | -167.5 | 25.8 | -34.5 | 0 | 0 | 0 | 112.7 | ||||
| 600 | W | 43.9 | Very low | 47.5 | Very low | 146 Ų | 146 | 104.8 Ų | 104.8 | 55% | 0.553 | 57% | 0.574 | S | S | * | * | trans | -30.4 | 140.9 | 170.4 | -53.6 | 86.5 | 0 | 0 | 0 | 113.9 | N582 F602 | N582-W600 HydrophobicContact CB-CD2 4.27Å; N582-W600 HydrophobicContact CB-CE3 3.6Å; N582-W600 HydrophobicContact CB-CZ3 3.96Å; N582-W600 WeakPolarHBondContact OD1-CB 3.49Å; W600-F602 VanDerWaalsContact C-N 3.28Å; W600-F602 WeakPolarHBondContact O-CD2 3.47Å; W600-F602 PolarHBondContact O-N 3.45Å | ||
| 601 | V | 41 | Very low | 45.9 | Very low | 52 Ų | 52 | 107.2 Ų | 107.2 | 32% | 0.315 | 58% | 0.584 | S | S | . | * | trans | -71 | 80.3 | -173.6 | -172 | 0 | 0 | 0 | 0 | 111.5 | P585 S603 | P585-V601 HydrophobicContact CG-CG2 4.05Å; V601-S603 PolarHBondContact O-N 2.89Å | ||
| 602 | F | 38.3 | Very low | 44.4 | Very low | 133 Ų | 133 | 111.9 Ų | 111.9 | 58% | 0.583 | 59% | 0.593 | S | S | * | * | trans | -58.1 | 134.8 | 167.5 | -67.3 | -77.6 | 0 | 0 | 0 | 109.5 | W600 A604 H605 | W600-F602 VanDerWaalsContact C-N 3.28Å; W600-F602 WeakPolarHBondContact O-CD2 3.47Å; W600-F602 PolarHBondContact O-N 3.45Å; F602-A604 PolarHBondContact O-N 2.82Å; F602-H605 PolarHBondContact O-N 3.39Å | ||
| 603 | S | 44.5 | Very low | 43.4 | Very low | 99 Ų | 99 | 115.8 Ų | 115.8 | 69% | 0.692 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -8.3 | -158.2 | 56.6 | 0 | 0 | 0 | 0 | 117.5 | R571 V601 | R571-S603 PolarHBondContact NH1-O 2.91Å; V601-S603 PolarHBondContact O-N 2.89Å |
| 604 | A | 43 | Very low | 43 | Very low | 80 Ų | 80 | 115 Ų | 115 | 66% | 0.661 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | -16 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116 | F602 | F602-A604 PolarHBondContact O-N 2.82Š|
| 605 | H | 40.5 | Very low | 42.3 | Very low | 153 Ų | 153 | 109.7 Ų | 109.7 | 71% | 0.708 | 60% | 0.595 | S | S | * | * | trans | -130.8 | 112.6 | -170.6 | -70 | -11.9 | 0 | 0 | 0 | 113.2 | F602 V607 | F602-H605 PolarHBondContact O-N 3.39Å; H605-V607 PolarHBondContact O-N 2.93Å | ||
| 606 | V | 39.9 | Very low | 41.9 | Very low | 113 Ų | 113 | 109.5 Ų | 109.5 | 69% | 0.685 | 60% | 0.598 | S | S | * | * | trans | -78.2 | 110.5 | 171.9 | 178.4 | 0 | 0 | 0 | 0 | 109.1 | N608 | V606-N608 PolarHBondContact O-N 2.84Š| ||
| 607 | V | 37.7 | Very low | 41.4 | Very low | 96 Ų | 96 | 116.8 Ų | 116.8 | 58% | 0.582 | 62% | 0.623 | S | S | * | * | trans | -70.6 | 114 | 162.2 | 177.7 | 0 | 0 | 0 | 0 | 107.3 | H605 T609 | H605-V607 PolarHBondContact O-N 2.93Å; V607-T609 PolarHBondContact O-N 3.41Å | ||
| 608 | N | 40.3 | Very low | 40.9 | Very low | 89 Ų | 89 | 119.4 Ų | 119.4 | 48% | 0.476 | 63% | 0.631 | S | S | . | * | trans | -76.2 | 83.4 | -177 | -169.8 | 19.9 | 0 | 0 | 0 | 110.6 | V606 T610 L611 | V606-N608 PolarHBondContact O-N 2.84Å; N608-T610 VanDerWaalsContact C-N 3.27Å; N608-T610 PolarHBondContact O-N 2.86Å; N608-T610 PolarHBondContact OD1-OG1 3.42Å; N608-L611 HydrophobicContact CB-CB 4.31Å; N608-L611 VanDerWaalsContact O-CB 3.25Å; N608-L611 WeakPolarHBondContact O-CB 3.43Å; N608-L611 PolarHBondContact O-N 3.27Å | ||
| 609 | T | 41 | Very low | 40.6 | Very low | 98 Ų | 98 | 115.3 Ų | 115.3 | 60% | 0.601 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -27.4 | -170.4 | 43.8 | 0 | 0 | 0 | 0 | 114.3 | V607 L611 | V607-T609 PolarHBondContact O-N 3.41Å; T609-L611 VanDerWaalsContact C-N 3.29Å; T609-L611 PolarHBondContact O-N 2.97Å |
| 610 | T | 44.3 | Very low | 40.5 | Very low | 83 Ų | 83 | 118 Ų | 118 | 51% | 0.509 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.1 | -32.5 | 172.4 | 37.6 | 0 | 0 | 0 | 0 | 113 | N608 F612 L613 E614 | N608-T610 VanDerWaalsContact C-N 3.27Å; N608-T610 PolarHBondContact O-N 2.86Å; N608-T610 PolarHBondContact OD1-OG1 3.42Å; T610-F612 PolarHBondContact O-N 2.74Å; T610-L613 PolarHBondContact O-N 3.17Å; T610-E614 PolarHBondContact O-N 2.86Å |
| 611 | L | 41.9 | Very low | 40.6 | Very low | 102 Ų | 102 | 120.1 Ų | 120.1 | 53% | 0.534 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -65.5 | -25.1 | -174.6 | -159.6 | 72.6 | 0 | 0 | 0 | 113.6 | N608 T609 T615 | N608-L611 HydrophobicContact CB-CB 4.31Å; N608-L611 VanDerWaalsContact O-CB 3.25Å; N608-L611 WeakPolarHBondContact O-CB 3.43Å; N608-L611 PolarHBondContact O-N 3.27Å; T609-L611 VanDerWaalsContact C-N 3.29Å; T609-L611 PolarHBondContact O-N 2.97Å; L611-T615 PolarHBondContact O-OG1 3.02Å |
| 612 | F | 36.8 | Very low | 41 | Very low | 161 Ų | 161 | 124 Ų | 124 | 71% | 0.706 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -81.5 | -23 | -177.4 | -163.8 | -103.7 | 0 | 0 | 0 | 113.3 | T610 T615 | T610-F612 PolarHBondContact O-N 2.74Å; F612-T615 PolarHBondContact O-OG1 3.14Å |
| 613 | L | 42.9 | Very low | 41.8 | Very low | 131 Ų | 131 | 120.2 Ų | 120.2 | 69% | 0.686 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -93.1 | -31.3 | 176.2 | -70.8 | 171.4 | 0 | 0 | 0 | 112.4 | T610 | T610-L613 PolarHBondContact O-N 3.17Å |
| 614 | E | 48.2 | Very low | 42.7 | Very low | 125 Ų | 125 | 116.3 Ų | 116.3 | 58% | 0.584 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -69.6 | -30.8 | 178 | -69.4 | -171.1 | 138.3 | 0 | 0 | 113.1 | T610 L616 R617 | T610-E614 PolarHBondContact O-N 2.86Å; E614-L616 PolarHBondContact O-N 3.26Å; E614-L616 VanDerWaalsContact O-N 3.12Å; E614-R617 PolarHBondContact O-N 2.84Å |
| 615 | T | 39.9 | Very low | 43.8 | Very low | 99 Ų | 99 | 115.9 Ų | 115.9 | 61% | 0.607 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -16.1 | -177.9 | 27 | 0 | 0 | 0 | 0 | 114.5 | L611 F612 | L611-T615 PolarHBondContact O-OG1 3.02Å; F612-T615 PolarHBondContact O-OG1 3.14Å |
| 616 | L | 40.6 | Very low | 45.1 | Very low | 147 Ų | 147 | 112.9 Ų | 112.9 | 77% | 0.77 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -7.3 | 177.9 | -73.3 | 170.2 | 0 | 0 | 0 | 114.7 | E614 | E614-L616 PolarHBondContact O-N 3.26Å; E614-L616 VanDerWaalsContact O-N 3.12Å |
| 617 | R | 38.8 | Very low | 46.3 | Very low | 225 Ų | 225 | 111.9 Ų | 111.9 | 85% | 0.849 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -109.2 | 56 | -179.4 | -71.4 | -176.6 | 170.9 | -178.6 | -2.7 | 111.8 | E614 A619 | E614-R617 PolarHBondContact O-N 2.84Å; R617-A619 VanDerWaalsContact C-N 3.3Å; R617-A619 PolarHBondContact O-N 3.42Å |
| 618 | S | 31.1 | Very low | 47.8 | Very low | 120 Ų | 120 | 107.9 Ų | 107.9 | 84% | 0.839 | 58% | 0.575 | S | S | * | * | trans | -70.7 | 67.2 | -170.6 | 50.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 619 | A | 37.5 | Very low | 49.3 | Very low | 77 Ų | 77 | 104.2 Ų | 104.2 | 64% | 0.636 | 56% | 0.556 | S | S | * | * | trans | -117.5 | 124.5 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109 | R617 K621 | R617-A619 VanDerWaalsContact C-N 3.3Å; R617-A619 PolarHBondContact O-N 3.42Å; A619-K621 VanDerWaalsContact C-N 3.27Å; A619-K621 PolarHBondContact O-N 3.25Å | ||
| 620 | V | 39.4 | Very low | 50.9 | Low | 149 Ų | 149 | 103.4 Ų | 103.4 | 90% | 0.903 | 55% | 0.545 | S | S | * | . | trans | -71.4 | 85.4 | 177.6 | -176.9 | 0 | 0 | 0 | 0 | 109 | L622 | V620-L622 PolarHBondContact O-N 3.38Š| ||
| 621 | K | 44.2 | Very low | 52.1 | Low | 191 Ų | 191 | 100.4 Ų | 100.4 | 83% | 0.83 | 53% | 0.526 | S | S | * | . | trans | -61.1 | 123.7 | 168.5 | -75 | -175.1 | 175.5 | -179 | 0 | 108.3 | A619 A623 | A619-K621 VanDerWaalsContact C-N 3.27Å; A619-K621 PolarHBondContact O-N 3.25Å; K621-A623 PolarHBondContact O-N 3.08Å | ||
| 622 | L | 50 | Low | 53.8 | Low | 133 Ų | 133 | 95.6 Ų | 95.6 | 70% | 0.696 | 50% | 0.501 | S | S | * | . | trans | -57.3 | 131.4 | 165.6 | -73.2 | 162.5 | 0 | 0 | 0 | 108.3 | V620 I624 | V620-L622 PolarHBondContact O-N 3.38Å; L622-I624 PolarHBondContact O-N 3.17Å | ||
| 623 | A | 56.2 | Low | 55.9 | Low | 53 Ų | 53 | 88.1 Ų | 88.1 | 44% | 0.438 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -64.5 | -11.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | K621 | K621-A623 PolarHBondContact O-N 3.08Š|
| 624 | I | 62.8 | Low | 57.5 | Low | 17 Ų | 17 | 86.1 Ų | 86.1 | 9% | 0.087 | 45% | 0.452 | C | S | . | . | trans | -111 | 111.8 | 177.4 | -58.2 | 168.8 | 0 | 0 | 0 | 108.4 | L622 T628 I629 L687 F692 L706 | L622-I624 PolarHBondContact O-N 3.17Å; I624-T628 HydrophobicContact CB-CG2 4.26Å; I624-T628 HydrophobicContact CG1-CG2 4.27Å; I624-T628 HydrophobicContact CG2-CG2 3.93Å; I624-I629 HydrophobicContact CG2-CD1 4.01Å; I624-I629 HydrophobicContact CG2-CG1 3.67Å; I624-L687 HydrophobicContact CD1-CD2 4.46Å; I624-L687 HydrophobicContact CG1-CD2 4.43Å; I624-L687 HydrophobicContact CG2-CD2 4.18Å; I624-F692 HydrophobicContact CD1-CD2 3.95Å; I624-F692 HydrophobicContact CD1-CE1 4.31Å; I624-F692 HydrophobicContact CD1-CE2 3.41Å; I624-F692 VanDerWaalsContact CD1-CE2 3.41Å; I624-F692 HydrophobicContact CD1-CZ 3.61Å; I624-L706 HydrophobicContact CB-CD1 3.99Å; I624-L706 HydrophobicContact CD1-CD1 3.72Å; I624-L706 HydrophobicContact CG1-CD1 4.46Å; I624-L706 HydrophobicContact CG2-CD1 3.83Å | ||
| 625 | T | 66.5 | Low | 58.9 | Low | 71 Ų | 71 | 80.9 Ų | 80.9 | 44% | 0.436 | 43% | 0.427 | S | S | . | . | trans | -101.6 | 179.6 | 171.7 | 72.7 | 0 | 0 | 0 | 0 | 110.6 | E627 T628 I629 | T625-E627 PolarHBondContact OG1-N 2.76Å; T625-T628 PolarHBondContact N-OG1 3.38Å; T625-T628 VanDerWaalsContact O-CB 3.31Å; T625-T628 WeakPolarHBondContact O-CB 3.49Å; T625-T628 PolarHBondContact O-N 3.03Å; T625-T628 PolarHBondContact OG1-N 2.86Å; T625-T628 VanDerWaalsContact OG1-N 3.13Å; T625-T628 PolarHBondContact OG1-OG1 3.08Å; T625-T628 VanDerWaalsContact OG1-OG1 3.1Å; T625-I629 PolarHBondContact O-N 2.88Å | ||
| 626 | K | 67.7 | Low | 61.1 | Low | 90 Ų | 90 | 76.1 Ų | 76.1 | 39% | 0.391 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 170.6 | -171.7 | 170 | -173.6 | -84.1 | 0 | 111.9 | T628 I629 E630 E710 | K626-T628 VanDerWaalsContact C-N 3.28Å; K626-T628 PolarHBondContact O-N 3.24Å; K626-I629 PolarHBondContact O-N 2.99Å; K626-I629 VanDerWaalsContact O-N 3.08Å; K626-E630 HydrophobicContact CG-CG 4.49Å; K626-E630 IonicContact NZ-OE1 2.71Å; K626-E630 PolarHBondContact NZ-OE1 2.94Å; K626-E630 WeakPolarHBondContact O-CG 3.24Å; K626-E630 PolarHBondContact O-N 2.82Å; K626-E710 WeakPolarHBondContact CE-OE2 3.16Å |
| 627 | E | 64.8 | Low | 63.2 | Low | 92 Ų | 92 | 73.9 Ų | 73.9 | 43% | 0.43 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.3 | -37.2 | 174.9 | -173.1 | -173.1 | 166.9 | 0 | 0 | 111.7 | K365 T625 I629 E630 N631 | K365-E627 IonicContact NZ-OE1 2.71Å; K365-E627 PolarHBondContact NZ-OE1 3.15Å; T625-E627 PolarHBondContact OG1-N 2.76Å; E627-I629 PolarHBondContact O-N 2.92Å; E627-E630 PolarHBondContact O-N 3Å; E627-N631 WeakPolarHBondContact O-CB 3.34Å; E627-N631 PolarHBondContact O-N 2.99Å; E627-N631 PolarHBondContact O-ND2 3.45Å |
| 628 | T | 68.7 | Low | 65.2 | Low | 12 Ų | 12 | 66.4 Ų | 66.4 | 7% | 0.074 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 172.7 | -55.1 | 0 | 0 | 0 | 0 | 112 | I624 T625 K626 A632 L687 Y691 | I624-T628 HydrophobicContact CB-CG2 4.26Å; I624-T628 HydrophobicContact CG1-CG2 4.27Å; I624-T628 HydrophobicContact CG2-CG2 3.93Å; T625-T628 PolarHBondContact N-OG1 3.38Å; T625-T628 VanDerWaalsContact O-CB 3.31Å; T625-T628 WeakPolarHBondContact O-CB 3.49Å; T625-T628 PolarHBondContact O-N 3.03Å; T625-T628 PolarHBondContact OG1-N 2.86Å; T625-T628 VanDerWaalsContact OG1-N 3.13Å; T625-T628 PolarHBondContact OG1-OG1 3.08Å; T625-T628 VanDerWaalsContact OG1-OG1 3.1Å; K626-T628 VanDerWaalsContact C-N 3.28Å; K626-T628 PolarHBondContact O-N 3.24Å; T628-A632 WeakPolarHBondContact O-CB 3.38Å; T628-A632 PolarHBondContact O-N 3.13Å; T628-L687 HydrophobicContact CG2-CD2 3.7Å; T628-Y691 HydrophobicContact CG2-CD1 3.35Å; T628-Y691 HydrophobicContact CG2-CD2 4.02Å; T628-Y691 HydrophobicContact CG2-CE1 3.38Å; T628-Y691 HydrophobicContact CG2-CE2 4.03Å; T628-Y691 HydrophobicContact CG2-CG 3.66Å |
| 629 | I | 71.9 | Confident | 67.8 | Low | 13 Ų | 13 | 64.8 Ų | 64.8 | 7% | 0.067 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70.7 | -42.5 | 179.8 | -63 | 166.8 | 0 | 0 | 0 | 110.6 | I624 T625 K626 E627 N631 A632 V633 L706 L707 L885 | I624-I629 HydrophobicContact CG2-CD1 4.01Å; I624-I629 HydrophobicContact CG2-CG1 3.67Å; T625-I629 PolarHBondContact O-N 2.88Å; K626-I629 PolarHBondContact O-N 2.99Å; K626-I629 VanDerWaalsContact O-N 3.08Å; E627-I629 PolarHBondContact O-N 2.92Å; I629-N631 VanDerWaalsContact C-N 3.35Å; I629-N631 PolarHBondContact O-N 3.34Å; I629-A632 PolarHBondContact O-N 2.79Å; I629-V633 HydrophobicContact CG2-CG2 4.41Å; I629-V633 WeakPolarHBondContact O-CG2 3.36Å; I629-V633 PolarHBondContact O-N 3.14Å; I629-L706 HydrophobicContact CD1-CB 4.34Å; I629-L707 HydrophobicContact CD1-CD2 4.31Å; I629-L707 HydrophobicContact CG2-CD1 4.45Å; I629-L707 HydrophobicContact CG2-CD2 4.13Å; I629-L707 HydrophobicContact CG2-CG 4.4Å; I629-L885 HydrophobicContact CG2-CD1 4.48Å |
| 630 | E | 74.1 | Confident | 70 | Confident | 81 Ų | 81 | 62.1 Ų | 62.1 | 38% | 0.379 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.6 | -40.8 | 177.3 | -71.6 | 171.3 | 159.5 | 0 | 0 | 111.9 | K626 E627 R634 F713 | K626-E630 HydrophobicContact CG-CG 4.49Å; K626-E630 IonicContact NZ-OE1 2.71Å; K626-E630 PolarHBondContact NZ-OE1 2.94Å; K626-E630 WeakPolarHBondContact O-CG 3.24Å; K626-E630 PolarHBondContact O-N 2.82Å; E627-E630 PolarHBondContact O-N 3Å; E630-R634 PolarHBondContact O-N 2.67Å; E630-R634 VanDerWaalsContact O-N 3.1Å; E630-F713 HydrophobicContact CG-CZ 4.28Å |
| 631 | N | 70.9 | Confident | 72.1 | Confident | 20 Ų | 20 | 59.7 Ų | 59.7 | 11% | 0.107 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.9 | -44.4 | 172.1 | -82.2 | -43.3 | 0 | 0 | 0 | 112.7 | E627 I629 V633 R634 I635 | E627-N631 WeakPolarHBondContact O-CB 3.34Å; E627-N631 PolarHBondContact O-N 2.99Å; E627-N631 PolarHBondContact O-ND2 3.45Å; I629-N631 VanDerWaalsContact C-N 3.35Å; I629-N631 PolarHBondContact O-N 3.34Å; N631-V633 VanDerWaalsContact C-N 3.33Å; N631-V633 PolarHBondContact O-N 3.31Å; N631-R634 PolarHBondContact O-N 3.39Å; N631-R634 PolarHBondContact OD1-NH2 3.03Å; N631-I635 WeakPolarHBondContact O-CG1 3.48Å; N631-I635 PolarHBondContact O-N 2.91Å |
| 632 | A | 77 | Confident | 74 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.4 | -38.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T628 I629 A636 V686 L687 | T628-A632 WeakPolarHBondContact O-CB 3.38Å; T628-A632 PolarHBondContact O-N 3.13Å; I629-A632 PolarHBondContact O-N 2.79Å; A632-A636 WeakPolarHBondContact O-CB 3.42Å; A632-A636 PolarHBondContact O-N 3.05Å; A632-V686 HydrophobicContact CB-CB 4.26Å; A632-V686 HydrophobicContact CB-CG1 3.84Å; A632-L687 HydrophobicContact CB-CD1 4.38Å; A632-L687 HydrophobicContact CB-CD2 3.82Å; A632-L687 HydrophobicContact CB-CG 3.74Å |
| 633 | V | 80.3 | Confident | 75.5 | Confident | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.024 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.2 | -45.6 | 173.2 | 171 | 0 | 0 | 0 | 0 | 111 | I629 N631 I635 A636 E637 I679 A683 F713 | I629-V633 HydrophobicContact CG2-CG2 4.41Å; I629-V633 WeakPolarHBondContact O-CG2 3.36Å; I629-V633 PolarHBondContact O-N 3.14Å; N631-V633 VanDerWaalsContact C-N 3.33Å; N631-V633 PolarHBondContact O-N 3.31Å; V633-I635 PolarHBondContact O-N 3.16Å; V633-A636 CarbonylContact O-C 3.5Å; V633-A636 WeakPolarHBondContact O-CB 3.05Å; V633-A636 PolarHBondContact O-N 2.86Å; V633-A636 VanDerWaalsContact O-N 3.15Å; V633-E637 HydrophobicContact CG1-CG 4.42Å; V633-E637 WeakPolarHBondContact O-CG 3.44Å; V633-E637 PolarHBondContact O-N 2.96Å; V633-I679 HydrophobicContact CG1-CG2 4.17Å; V633-A683 HydrophobicContact CG2-CB 4.08Å; V633-F713 HydrophobicContact CB-CE1 4.42Å; V633-F713 HydrophobicContact CB-CZ 4.45Å; V633-F713 HydrophobicContact CG1-CD1 4.28Å; V633-F713 HydrophobicContact CG1-CE1 3.84Å; V633-F713 HydrophobicContact CG1-CZ 4.35Å; V633-F713 HydrophobicContact CG2-CE1 4.46Å; V633-F713 HydrophobicContact CG2-CZ 4.3Å |
| 634 | R | 77.9 | Confident | 76.8 | Confident | 89 Ų | 89 | 49.4 Ų | 49.4 | 34% | 0.336 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.5 | -38.7 | 179.3 | -179.6 | 169.5 | 57.6 | 163.5 | -1.2 | 113.5 | G371 F550 E630 N631 A636 E637 Q638 | G371-R634 PolarHBondContact O-NH1 2.89Å; G371-R634 PolarHBondContact O-NH2 3.4Å; F550-R634 HydrophobicContact CZ-CG 4.03Å; E630-R634 PolarHBondContact O-N 2.67Å; E630-R634 VanDerWaalsContact O-N 3.1Å; N631-R634 PolarHBondContact O-N 3.39Å; N631-R634 PolarHBondContact OD1-NH2 3.03Å; R634-A636 VanDerWaalsContact C-N 3.29Å; R634-A636 PolarHBondContact O-N 2.79Å; R634-E637 PolarHBondContact O-N 3.26Å; R634-Q638 PolarHBondContact O-N 3.42Å |
| 635 | I | 77.7 | Confident | 77.7 | Confident | 15 Ų | 15 | 52.3 Ų | 52.3 | 8% | 0.077 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 172.6 | -68.3 | 165.5 | 0 | 0 | 0 | 109.6 | F550 N631 V633 Q638 R639 V686 | F550-I635 HydrophobicContact CD2-CG1 3.9Å; F550-I635 HydrophobicContact CE2-CG1 4.15Å; F550-I635 HydrophobicContact CG-CG1 4.3Å; N631-I635 WeakPolarHBondContact O-CG1 3.48Å; N631-I635 PolarHBondContact O-N 2.91Å; V633-I635 PolarHBondContact O-N 3.16Å; I635-Q638 PolarHBondContact O-N 3.17Å; I635-R639 HydrophobicContact CG2-CG 4.4Å; I635-R639 WeakPolarHBondContact O-CG 3.27Å; I635-R639 PolarHBondContact O-N 2.92Å; I635-V686 HydrophobicContact CB-CG2 4.43Å; I635-V686 HydrophobicContact CD1-CG1 4.25Å; I635-V686 HydrophobicContact CG2-CG1 4.49Å; I635-V686 HydrophobicContact CG2-CG2 3.8Å |
| 636 | A | 84.9 | Confident | 78.5 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.6 | -40.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | A632 V633 R634 Q638 R639 V640 I679 E682 A683 | A632-A636 WeakPolarHBondContact O-CB 3.42Å; A632-A636 PolarHBondContact O-N 3.05Å; V633-A636 CarbonylContact O-C 3.5Å; V633-A636 WeakPolarHBondContact O-CB 3.05Å; V633-A636 PolarHBondContact O-N 2.86Å; V633-A636 VanDerWaalsContact O-N 3.15Å; R634-A636 VanDerWaalsContact C-N 3.29Å; R634-A636 PolarHBondContact O-N 2.79Å; A636-Q638 VanDerWaalsContact C-N 3.29Å; A636-Q638 PolarHBondContact O-N 2.91Å; A636-R639 PolarHBondContact O-N 3.4Å; A636-V640 WeakPolarHBondContact O-CB 3.34Å; A636-V640 VanDerWaalsContact O-CG2 3.31Å; A636-V640 WeakPolarHBondContact O-CG2 3.46Å; A636-V640 PolarHBondContact O-N 3.5Å; A636-I679 HydrophobicContact CB-CG2 4.21Å; A636-I679 VanDerWaalsContact CB-O 3.24Å; A636-I679 WeakPolarHBondContact CB-O 3.41Å; A636-E682 HydrophobicContact CB-CB 3.89Å; A636-E682 HydrophobicContact CB-CG 4.12Å; A636-A683 HydrophobicContact CB-CB 3.78Å; A636-A683 VanDerWaalsContact CB-N 3.31Å |
| 637 | E | 83.8 | Confident | 79 | Confident | 99 Ų | 99 | 52 Ų | 52 | 46% | 0.463 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -56.7 | -43.3 | 173.9 | -75.2 | -176.6 | 146.3 | 0 | 0 | 111.8 | V633 R634 K641 I679 | V633-E637 HydrophobicContact CG1-CG 4.42Å; V633-E637 WeakPolarHBondContact O-CG 3.44Å; V633-E637 PolarHBondContact O-N 2.96Å; R634-E637 PolarHBondContact O-N 3.26Å; E637-K641 VanDerWaalsContact O-CB 3.25Å; E637-K641 WeakPolarHBondContact O-CB 3.3Å; E637-K641 PolarHBondContact O-N 3.37Å; E637-K641 VanDerWaalsContact O-N 3.11Å; E637-I679 HydrophobicContact CG-CD1 4.06Å; E637-I679 HydrophobicContact CG-CG1 4.28Å; E637-I679 HydrophobicContact CG-CG2 3.74Å |
| 638 | Q | 81.2 | Confident | 79.7 | Confident | 68 Ų | 68 | 52.2 Ų | 52.2 | 32% | 0.318 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -71 | -45.3 | 177.1 | -176.1 | 53.7 | 39.4 | 0 | 0 | 111.7 | R634 I635 A636 V640 K641 D642 | R634-Q638 PolarHBondContact O-N 3.42Å; I635-Q638 PolarHBondContact O-N 3.17Å; A636-Q638 VanDerWaalsContact C-N 3.29Å; A636-Q638 PolarHBondContact O-N 2.91Å; Q638-V640 PolarHBondContact O-N 3.49Å; Q638-K641 WeakPolarHBondContact O-CB 3.29Å; Q638-K641 PolarHBondContact O-N 3.49Å; Q638-K641 VanDerWaalsContact OE1-NZ 3.16Å; Q638-D642 PolarHBondContact NE2-OD1 3.29Å; Q638-D642 PolarHBondContact NE2-OD2 3.46Å; Q638-D642 VanDerWaalsContact O-CG 3.31Å; Q638-D642 PolarHBondContact O-N 2.87Å |
| 639 | R | 86.1 | Confident | 80.1 | Confident | 86 Ų | 86 | 58.2 Ų | 58.2 | 33% | 0.325 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.5 | -44.1 | 175.7 | -74 | -177.7 | -175.8 | -178.1 | 5.4 | 112.6 | I635 A636 D642 V643 E682 E689 | I635-R639 HydrophobicContact CG2-CG 4.4Å; I635-R639 WeakPolarHBondContact O-CG 3.27Å; I635-R639 PolarHBondContact O-N 2.92Å; A636-R639 PolarHBondContact O-N 3.4Å; R639-D642 PolarHBondContact O-N 3.03Å; R639-V643 WeakPolarHBondContact O-CG2 3.47Å; R639-V643 PolarHBondContact O-N 3.16Å; R639-E682 HydrophobicContact CB-CG 4.07Å; R639-E682 WeakPolarHBondContact CD-OE1 3.09Å; R639-E682 IonicContact CZ-OE1 2.7Å; R639-E682 IonicContact NE-OE1 2.7Å; R639-E682 IonicContact NH1-OE1 2.64Å; R639-E682 PolarHBondContact NH1-OE1 2.81Å; R639-E689 IonicContact NH1-OE2 3.03Å |
| 640 | V | 83.6 | Confident | 80.3 | Confident | 21 Ų | 21 | 59.6 Ų | 59.6 | 13% | 0.127 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 177.1 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | A636 Q638 D642 V643 E644 D678 I679 | A636-V640 WeakPolarHBondContact O-CB 3.34Å; A636-V640 VanDerWaalsContact O-CG2 3.31Å; A636-V640 WeakPolarHBondContact O-CG2 3.46Å; A636-V640 PolarHBondContact O-N 3.5Å; Q638-V640 PolarHBondContact O-N 3.49Å; V640-D642 VanDerWaalsContact C-N 3.33Å; V640-D642 PolarHBondContact O-N 2.85Å; V640-V643 PolarHBondContact O-N 3.21Å; V640-E644 PolarHBondContact O-N 2.86Å; V640-D678 HydrophobicContact CG2-CB 4.32Å; V640-I679 HydrophobicContact CB-CG1 4.24Å; V640-I679 HydrophobicContact CG1-CG1 4.33Å; V640-I679 HydrophobicContact CG2-CG1 4.11Å |
| 641 | K | 84.3 | Confident | 79.9 | Confident | 98 Ų | 98 | 56.5 Ų | 56.5 | 43% | 0.426 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.8 | -36.9 | 175.3 | 176.7 | -173.5 | 165.8 | -157.8 | 0 | 112.5 | E637 Q638 E644 L645 | E637-K641 VanDerWaalsContact O-CB 3.25Å; E637-K641 WeakPolarHBondContact O-CB 3.3Å; E637-K641 PolarHBondContact O-N 3.37Å; E637-K641 VanDerWaalsContact O-N 3.11Å; Q638-K641 WeakPolarHBondContact O-CB 3.29Å; Q638-K641 PolarHBondContact O-N 3.49Å; Q638-K641 VanDerWaalsContact OE1-NZ 3.16Å; K641-E644 WeakPolarHBondContact O-CB 3.25Å; K641-E644 PolarHBondContact O-N 3.24Å; K641-L645 HydrophobicContact CG-CD1 4.34Å; K641-L645 WeakPolarHBondContact O-CB 3.24Å; K641-L645 VanDerWaalsContact O-CG 3.28Å; K641-L645 WeakPolarHBondContact O-CG 3.41Å; K641-L645 PolarHBondContact O-N 2.84Å |
| 642 | D | 83.7 | Confident | 79.3 | Confident | 62 Ų | 62 | 65.8 Ų | 65.8 | 33% | 0.332 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -72.6 | -32.7 | 176.8 | -67 | -29.6 | 0 | 0 | 0 | 112.2 | Q638 R639 V640 L645 R646 | Q638-D642 PolarHBondContact NE2-OD1 3.29Å; Q638-D642 PolarHBondContact NE2-OD2 3.46Å; Q638-D642 VanDerWaalsContact O-CG 3.31Å; Q638-D642 PolarHBondContact O-N 2.87Å; R639-D642 PolarHBondContact O-N 3.03Å; V640-D642 VanDerWaalsContact C-N 3.33Å; V640-D642 PolarHBondContact O-N 2.85Å; D642-L645 PolarHBondContact O-N 3.43Å; D642-R646 PolarHBondContact O-N 2.88Å |
| 643 | V | 82.4 | Confident | 78.1 | Confident | 67 Ų | 67 | 70.1 Ų | 70.1 | 41% | 0.406 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.5 | -46.6 | 167.4 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | R639 V640 L645 R646 E647 | R639-V643 WeakPolarHBondContact O-CG2 3.47Å; R639-V643 PolarHBondContact O-N 3.16Å; V640-V643 PolarHBondContact O-N 3.21Å; V643-L645 PolarHBondContact O-N 3.47Å; V643-R646 PolarHBondContact O-N 3.15Å; V643-E647 HydrophobicContact CG1-CG 4.28Å; V643-E647 WeakPolarHBondContact O-CG 3.2Å; V643-E647 PolarHBondContact O-N 3.49Å |
| 644 | E | 82.4 | Confident | 76.7 | Confident | 32 Ų | 32 | 74.3 Ų | 74.3 | 15% | 0.15 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -55.2 | -40.5 | 173.7 | -75.1 | -175.7 | -148.4 | 0 | 0 | 111.8 | V640 K641 R648 R675 P829 | V640-E644 PolarHBondContact O-N 2.86Å; K641-E644 WeakPolarHBondContact O-CB 3.25Å; K641-E644 PolarHBondContact O-N 3.24Å; E644-R648 WeakPolarHBondContact O-CB 3.45Å; E644-R648 VanDerWaalsContact O-CG 3.23Å; E644-R648 WeakPolarHBondContact O-CG 3.2Å; E644-R648 PolarHBondContact O-N 3.22Å; E644-R648 VanDerWaalsContact O-N 3.09Å; E644-R648 IonicContact OE2-CZ 3.01Å; E644-R648 IonicContact OE2-NH1 2.79Å; E644-R648 PolarHBondContact OE2-NH1 3.1Å; E644-R648 IonicContact OE2-NH2 3.95Å; E644-R648 PolarHBondContact OE2-NH2 3.43Å; E644-R675 IonicContact OE1-CZ 2.7Å; E644-R675 IonicContact OE1-NE 3.46Å; E644-R675 PolarHBondContact OE1-NE 3.32Å; E644-R675 IonicContact OE1-NH2 3.17Å; E644-R675 PolarHBondContact OE1-NH2 2.93Å; E644-P829 HydrophobicContact CB-CB 4.2Å; E644-P829 HydrophobicContact CB-CG 4.23Å; E644-P829 HydrophobicContact CG-CB 4.25Å; E644-P829 HydrophobicContact CG-CG 4.36Å |
| 645 | L | 82.3 | Confident | 75 | Confident | 79 Ų | 79 | 74.9 Ų | 74.9 | 41% | 0.414 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.9 | -44.3 | 178.5 | -75.2 | 167.5 | 0 | 0 | 0 | 112.2 | K641 D642 V643 R648 Q649 | K641-L645 HydrophobicContact CG-CD1 4.34Å; K641-L645 WeakPolarHBondContact O-CB 3.24Å; K641-L645 VanDerWaalsContact O-CG 3.28Å; K641-L645 WeakPolarHBondContact O-CG 3.41Å; K641-L645 PolarHBondContact O-N 2.84Å; D642-L645 PolarHBondContact O-N 3.43Å; V643-L645 PolarHBondContact O-N 3.47Å; L645-R648 PolarHBondContact O-N 3.4Å; L645-Q649 WeakPolarHBondContact O-CG 3.35Å; L645-Q649 PolarHBondContact O-N 2.91Å; L645-Q649 VanDerWaalsContact O-N 3.13Å |
| 646 | R | 82.3 | Confident | 73.3 | Confident | 139 Ų | 139 | 82.2 Ų | 82.2 | 53% | 0.525 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.1 | -47.3 | 175.1 | 175.9 | 178 | 167.6 | 171.7 | -3.5 | 111.5 | D642 V643 R648 Q649 L650 E843 | D642-R646 PolarHBondContact O-N 2.88Å; V643-R646 PolarHBondContact O-N 3.15Å; R646-R648 VanDerWaalsContact C-N 3.35Å; R646-R648 PolarHBondContact O-N 3.05Å; R646-Q649 WeakPolarHBondContact O-CB 3.23Å; R646-Q649 PolarHBondContact O-N 3.46Å; R646-Q649 VanDerWaalsContact O-N 3.08Å; R646-L650 HydrophobicContact CG-CD1 4.07Å; R646-L650 WeakPolarHBondContact O-CG 3.26Å; R646-L650 PolarHBondContact O-N 2.94Å; R646-E843 PolarHBondContact NH2-O 3.13Å |
| 647 | E | 79.4 | Confident | 71.4 | Confident | 14 Ų | 14 | 89 Ų | 89 | 7% | 0.065 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65.8 | -38 | -178.3 | -67.5 | -171.4 | 172.7 | 0 | 0 | 111.4 | V643 Q649 L650 Q651 P829 S846 S847 | V643-E647 HydrophobicContact CG1-CG 4.28Å; V643-E647 WeakPolarHBondContact O-CG 3.2Å; V643-E647 PolarHBondContact O-N 3.49Å; E647-Q649 VanDerWaalsContact C-N 3.28Å; E647-Q649 PolarHBondContact O-N 3.24Å; E647-L650 PolarHBondContact O-N 2.66Å; E647-Q651 WeakPolarHBondContact O-CB 3.38Å; E647-Q651 VanDerWaalsContact O-CG 3.24Å; E647-Q651 WeakPolarHBondContact O-CG 3.4Å; E647-Q651 PolarHBondContact O-N 3.01Å; E647-Q651 PolarHBondContact O-OE1 3.47Å; E647-P829 HydrophobicContact CB-CG 4.06Å; E647-S846 VanDerWaalsContact OE1-CA 3.22Å; E647-S846 WeakPolarHBondContact OE1-CA 3.45Å; E647-S846 VanDerWaalsContact OE1-CB 3.28Å; E647-S846 WeakPolarHBondContact OE1-CB 3.42Å; E647-S846 PolarHBondContact OE1-OG 3.5Å; E647-S846 PolarHBondContact OE2-OG 2.94Å; E647-S847 PolarHBondContact OE1-N 2.92Å; E647-S847 PolarHBondContact OE1-OG 2.96Å |
| 648 | R | 78.5 | Confident | 69.6 | Low | 97 Ų | 97 | 86.8 Ų | 86.8 | 37% | 0.366 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.5 | -30.2 | 170.4 | -76.8 | 174.2 | 179.3 | 128.9 | 8.5 | 113.8 | E644 L645 R646 R652 P829 | E644-R648 WeakPolarHBondContact O-CB 3.45Å; E644-R648 VanDerWaalsContact O-CG 3.23Å; E644-R648 WeakPolarHBondContact O-CG 3.2Å; E644-R648 PolarHBondContact O-N 3.22Å; E644-R648 VanDerWaalsContact O-N 3.09Å; E644-R648 IonicContact OE2-CZ 3.01Å; E644-R648 IonicContact OE2-NH1 2.79Å; E644-R648 PolarHBondContact OE2-NH1 3.1Å; E644-R648 IonicContact OE2-NH2 3.95Å; E644-R648 PolarHBondContact OE2-NH2 3.43Å; L645-R648 PolarHBondContact O-N 3.4Å; R646-R648 VanDerWaalsContact C-N 3.35Å; R646-R648 PolarHBondContact O-N 3.05Å; R648-R652 WeakPolarHBondContact O-CG 3.49Å; R648-P829 HydrophobicContact CG-CB 3.91Å; R648-P829 HydrophobicContact CG-CG 4.32Å; R648-P829 PolarHBondContact NE-O 2.89Å; R648-P829 PolarHBondContact NH2-O 3.27Å |
| 649 | Q | 78.3 | Confident | 68.1 | Low | 138 Ų | 138 | 87.6 Ų | 87.6 | 65% | 0.645 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -73.2 | -44.9 | 174.1 | -71.7 | 172.6 | -2.4 | 0 | 0 | 111 | L645 R646 E647 Q651 R652 | L645-Q649 WeakPolarHBondContact O-CG 3.35Å; L645-Q649 PolarHBondContact O-N 2.91Å; L645-Q649 VanDerWaalsContact O-N 3.13Å; R646-Q649 WeakPolarHBondContact O-CB 3.23Å; R646-Q649 PolarHBondContact O-N 3.46Å; R646-Q649 VanDerWaalsContact O-N 3.08Å; E647-Q649 VanDerWaalsContact C-N 3.28Å; E647-Q649 PolarHBondContact O-N 3.24Å; Q649-Q651 PolarHBondContact O-N 2.95Å; Q649-R652 PolarHBondContact O-N 2.91Å |
| 650 | L | 75.1 | Confident | 66.1 | Low | 43 Ų | 43 | 85 Ų | 85 | 23% | 0.225 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -64.8 | -37.4 | 179.4 | -66.2 | 171.3 | 0 | 0 | 0 | 113.1 | R646 E647 R652 S653 | R646-L650 HydrophobicContact CG-CD1 4.07Å; R646-L650 WeakPolarHBondContact O-CG 3.26Å; R646-L650 PolarHBondContact O-N 2.94Å; E647-L650 PolarHBondContact O-N 2.66Å; L650-R652 VanDerWaalsContact C-N 3.32Å; L650-R652 PolarHBondContact O-N 3.5Å; L650-S653 PolarHBondContact O-N 3.26Å; L650-S653 PolarHBondContact O-OG 3.08Å |
| 651 | Q | 66.6 | Low | 64.2 | Low | 15 Ų | 15 | 85 Ų | 85 | 7% | 0.07 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -69.3 | -25.8 | -178.6 | -74.1 | 151.4 | 6.6 | 0 | 0 | 113.9 | E647 Q649 S653 N654 T655 A828 | E647-Q651 WeakPolarHBondContact O-CB 3.38Å; E647-Q651 VanDerWaalsContact O-CG 3.24Å; E647-Q651 WeakPolarHBondContact O-CG 3.4Å; E647-Q651 PolarHBondContact O-N 3.01Å; E647-Q651 PolarHBondContact O-OE1 3.47Å; Q649-Q651 PolarHBondContact O-N 2.95Å; Q651-S653 PolarHBondContact O-N 2.62Å; Q651-N654 PolarHBondContact O-N 3.37Å; Q651-T655 WeakPolarHBondContact O-CG2 3.39Å; Q651-T655 PolarHBondContact O-OG1 2.91Å; Q651-A828 VanDerWaalsContact NE2-CB 3.31Å |
| 652 | R | 57.6 | Low | 62.2 | Low | 216 Ų | 216 | 82.8 Ų | 82.8 | 82% | 0.815 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -13.9 | 175.6 | -74.9 | 175 | 177.1 | -168 | -0.5 | 113.9 | R648 Q649 L650 | R648-R652 WeakPolarHBondContact O-CG 3.49Å; Q649-R652 PolarHBondContact O-N 2.91Å; L650-R652 VanDerWaalsContact C-N 3.32Å; L650-R652 PolarHBondContact O-N 3.5Å |
| 653 | S | 51.5 | Low | 60.1 | Low | 90 Ų | 90 | 81 Ų | 81 | 63% | 0.629 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -16 | 178 | 12.1 | 0 | 0 | 0 | 0 | 114.9 | L650 Q651 | L650-S653 PolarHBondContact O-N 3.26Å; L650-S653 PolarHBondContact O-OG 3.08Å; Q651-S653 PolarHBondContact O-N 2.62Å |
| 654 | N | 51.8 | Low | 58.4 | Low | 93 Ų | 93 | 78.8 Ų | 78.8 | 50% | 0.497 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -124.7 | 13.7 | -163 | -73.9 | -16.9 | 0 | 0 | 0 | 114.9 | Q651 E656 | Q651-N654 PolarHBondContact O-N 3.37Å; N654-E656 PolarHBondContact O-N 2.74Å |
| 655 | T | 42.2 | Very low | 56.5 | Low | 100 Ų | 100 | 79.9 Ų | 79.9 | 61% | 0.613 | 41% | 0.407 | S | S | * | . | trans | -94.8 | 47.7 | -164.9 | 23.3 | 0 | 0 | 0 | 0 | 116.2 | Q651 | Q651-T655 WeakPolarHBondContact O-CG2 3.39Å; Q651-T655 PolarHBondContact O-OG1 2.91Å | ||
| 656 | E | 41.6 | Very low | 55 | Low | 169 Ų | 169 | 78.8 Ų | 78.8 | 79% | 0.79 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -134.5 | 136.7 | 160 | -67.7 | -164.9 | 164.7 | 0 | 0 | 112.3 | N654 | N654-E656 PolarHBondContact O-N 2.74Š|
| 657 | N | 44 | Very low | 53.8 | Low | 142 Ų | 142 | 74.4 Ų | 74.4 | 76% | 0.759 | 38% | 0.382 | S | S | * | . | trans | 79.3 | 17 | 166.8 | -48.6 | -63.4 | 0 | 0 | 0 | 120.7 | ||||
| 658 | F | 46.9 | Very low | 53 | Low | 53 Ų | 53 | 80.7 Ų | 80.7 | 23% | 0.232 | 41% | 0.409 | C | S | . | . | trans | -85.4 | 129.6 | 167.4 | -168.4 | -113.6 | 0 | 0 | 0 | 112.6 | F660 L833 E835 H874 | F658-F660 HydrophobicContact CE1-CB 4.33Å; F658-F660 WeakPolarHBondContact CE1-O 3.37Å; F658-F660 HydrophobicContact CE2-CB 4.04Å; F658-F660 HydrophobicContact CZ-CB 3.64Å; F658-F660 WeakPolarHBondContact CZ-O 3.35Å; F658-L833 HydrophobicContact CD1-CB 4.12Å; F658-L833 HydrophobicContact CD1-CD1 4.38Å; F658-L833 HydrophobicContact CE1-CB 4.18Å; F658-L833 HydrophobicContact CE1-CD1 4.21Å; F658-E835 HydrophobicContact CB-CB 4.22Å; F658-E835 HydrophobicContact CD1-CB 4.3Å; F658-E835 HydrophobicContact CD2-CB 3.98Å; F658-E835 HydrophobicContact CD2-CG 3.92Å; F658-E835 WeakPolarHBondContact CD2-OE1 3.47Å; F658-E835 HydrophobicContact CE2-CB 4.47Å; F658-E835 HydrophobicContact CE2-CG 4.41Å; F658-E835 WeakPolarHBondContact CE2-OE1 3.49Å; F658-E835 VanDerWaalsContact CE2-OE2 3.24Å; F658-E835 WeakPolarHBondContact CE2-OE2 3.21Å; F658-E835 HydrophobicContact CG-CB 3.89Å; F658-E835 HydrophobicContact CG-CG 4.29Å; F658-H874 AromaticContact CE1-NE2 3.78Å; F658-H874 AromaticContact CE2-CD2 3.91Å; F658-H874 AromaticContact CZ-CD2 3.44Å; F658-H874 VanDerWaalsContact CZ-CD2 3.44Å; F658-H874 WeakPolarHBondContact CZ-CD2 3.3Å; F658-H874 AromaticContact CZ-CE1 3.96Å; F658-H874 AromaticContact CZ-NE2 3.28Å; F658-H874 VanDerWaalsContact CZ-NE2 3.28Å; F658-H874 WeakPolarHBondContact CZ-NE2 3.17Å | ||
| 659 | I | 49.2 | Very low | 52.3 | Low | 86 Ų | 86 | 77.1 Ų | 77.1 | 44% | 0.441 | 40% | 0.397 | S | S | . | . | trans | -125.9 | -15.5 | -169.8 | -50.4 | 179.2 | 0 | 0 | 0 | 113.1 | G661 N662 F1133 | I659-G661 PolarHBondContact O-N 2.92Å; I659-N662 PolarHBondContact O-ND2 2.82Å; I659-F1133 HydrophobicContact CB-CE1 4.5Å; I659-F1133 HydrophobicContact CB-CE2 4.1Å; I659-F1133 HydrophobicContact CB-CZ 3.69Å; I659-F1133 HydrophobicContact CG2-CE1 3.94Å; I659-F1133 HydrophobicContact CG2-CE2 4.42Å; I659-F1133 HydrophobicContact CG2-CZ 3.55Å | ||
| 660 | F | 44.4 | Very low | 51.9 | Low | 31 Ų | 31 | 70.7 Ų | 70.7 | 14% | 0.136 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 116.2 | -173.2 | -89.3 | -55.8 | 0 | 0 | 0 | 114.4 | F658 F1131 F1133 S1139 M1141 | F658-F660 HydrophobicContact CE1-CB 4.33Å; F658-F660 WeakPolarHBondContact CE1-O 3.37Å; F658-F660 HydrophobicContact CE2-CB 4.04Å; F658-F660 HydrophobicContact CZ-CB 3.64Å; F658-F660 WeakPolarHBondContact CZ-O 3.35Å; F660-F1131 HydrophobicContact CD1-CB 4.5Å; F660-F1131 HydrophobicContact CE1-CB 3.87Å; F660-F1133 AromaticContact CD1-CE2 3.78Å; F660-F1133 HydrophobicContact CD1-CE2 3.78Å; F660-F1133 AromaticContact CD1-CZ 3.74Å; F660-F1133 HydrophobicContact CD1-CZ 3.74Å; F660-F1133 HydrophobicContact CD2-CD2 4.26Å; F660-F1133 AromaticContact CD2-CE2 3.53Å; F660-F1133 HydrophobicContact CD2-CE2 3.53Å; F660-F1133 HydrophobicContact CD2-CZ 4.27Å; F660-F1133 HydrophobicContact CE1-CD2 4.07Å; F660-F1133 HydrophobicContact CE1-CE1 4.34Å; F660-F1133 AromaticContact CE1-CE2 3.58Å; F660-F1133 HydrophobicContact CE1-CE2 3.58Å; F660-F1133 AromaticContact CE1-CZ 3.71Å; F660-F1133 HydrophobicContact CE1-CZ 3.71Å; F660-F1133 AromaticContact CE2-CD2 3.61Å; F660-F1133 HydrophobicContact CE2-CD2 3.61Å; F660-F1133 AromaticContact CE2-CE2 3.33Å; F660-F1133 HydrophobicContact CE2-CE2 3.33Å; F660-F1133 HydrophobicContact CE2-CZ 4.26Å; F660-F1133 AromaticContact CG-CE2 3.74Å; F660-F1133 HydrophobicContact CG-CE2 3.74Å; F660-F1133 HydrophobicContact CG-CZ 4.02Å; F660-F1133 AromaticContact CZ-CD2 3.49Å; F660-F1133 HydrophobicContact CZ-CD2 3.49Å; F660-F1133 VanDerWaalsContact CZ-CD2 3.49Å; F660-F1133 AromaticContact CZ-CE2 3.35Å; F660-F1133 HydrophobicContact CZ-CE2 3.35Å; F660-F1133 HydrophobicContact CZ-CG 4.23Å; F660-F1133 AromaticContact CZ-CZ 3.98Å; F660-F1133 HydrophobicContact CZ-CZ 3.98Å; F660-S1139 WeakPolarHBondContact CE2-O 3.37Å; F660-S1139 WeakPolarHBondContact CZ-O 3.26Å; F660-M1141 HydrophobicContact CD1-CE 4.19Å; F660-M1141 HydrophobicContact CE1-CE 4.29Å |
| 661 | G | 44.4 | Very low | 51.7 | Low | 22 Ų | 22 | 70.2 Ų | 70.2 | 23% | 0.227 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 100.9 | 35.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | I659 N663 V664 D943 | I659-G661 PolarHBondContact O-N 2.92Å; G661-N663 PolarHBondContact O-N 3.31Å; G661-V664 PolarHBondContact O-N 3.41Å; G661-D943 PolarHBondContact N-OD1 3.05Å |
| 662 | N | 41.1 | Very low | 52 | Low | 51 Ų | 51 | 72.2 Ų | 72.2 | 27% | 0.273 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -69 | -14.6 | 177.4 | -67 | -85.7 | 0 | 0 | 0 | 113.3 | I659 V664 G665 L833 P942 D943 | I659-N662 PolarHBondContact O-ND2 2.82Å; N662-V664 PolarHBondContact O-N 3.08Å; N662-G665 PolarHBondContact O-N 3.33Å; N662-G665 VanDerWaalsContact O-N 3.15Å; N662-L833 HydrophobicContact CB-CD1 4.42Å; N662-P942 HydrophobicContact CB-CB 3.7Å; N662-P942 HydrophobicContact CB-CG 3.56Å; N662-D943 WeakPolarHBondContact CB-OD1 3.46Å; N662-D943 VanDerWaalsContact N-CG 3.33Å; N662-D943 PolarHBondContact N-OD1 3.38Å; N662-D943 PolarHBondContact N-OD2 3.31Å; N662-D943 PolarHBondContact ND2-OD1 2.64Å |
| 663 | N | 40.3 | Very low | 52.9 | Low | 24 Ų | 24 | 63 Ų | 63 | 13% | 0.128 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -64.2 | 20.7 | 163.5 | -82.6 | -83.4 | 0 | 0 | 0 | 114.6 | G661 D941 D943 I957 | G661-N663 PolarHBondContact O-N 3.31Å; N663-D941 PolarHBondContact ND2-OD1 3.24Å; N663-D943 WeakPolarHBondContact CB-OD2 3.34Å; N663-D943 PolarHBondContact N-OD2 2.82Å; N663-D943 PolarHBondContact ND2-OD2 2.69Å; N663-I957 VanDerWaalsContact O-CD1 3.22Å; N663-I957 WeakPolarHBondContact O-CD1 3.39Å; N663-I957 PolarHBondContact OD1-O 2.88Å |
| 664 | V | 47.4 | Very low | 54.3 | Low | 21 Ų | 21 | 58.7 Ų | 58.7 | 13% | 0.127 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -131.8 | 26.1 | 171.6 | -159 | 0 | 0 | 0 | 0 | 111.4 | G661 N662 R666 P824 M825 | G661-V664 PolarHBondContact O-N 3.41Å; N662-V664 PolarHBondContact O-N 3.08Å; V664-R666 PolarHBondContact O-N 3.01Å; V664-P824 HydrophobicContact CG1-CB 4.16Å; V664-M825 HydrophobicContact CG1-CB 3.97Å; V664-M825 HydrophobicContact CG1-CG 4.2Å; V664-M825 VanDerWaalsContact CG1-N 3.28Å; V664-M825 HydrophobicContact CG2-CE 4.07Å |
| 665 | G | 41 | Very low | 55.8 | Low | 55 Ų | 55 | 60.2 Ų | 60.2 | 57% | 0.567 | 31% | 0.313 | S | S | * | . | trans | -62.7 | 101.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | N662 K667 | N662-G665 PolarHBondContact O-N 3.33Å; N662-G665 VanDerWaalsContact O-N 3.15Å; G665-K667 PolarHBondContact O-N 2.8Å | ||
| 666 | R | 50.6 | Low | 57.8 | Low | 56 Ų | 56 | 56.9 Ų | 56.9 | 21% | 0.211 | 29% | 0.293 | C | S | . | . | trans | -52 | 133.8 | -177.1 | -75.8 | -170.7 | -171.5 | 155.2 | 3.8 | 112.1 | V664 E670 S671 V827 | V664-R666 PolarHBondContact O-N 3.01Å; R666-E670 HydrophobicContact CB-CB 4.37Å; R666-E670 HydrophobicContact CG-CB 4.34Å; R666-S671 WeakPolarHBondContact CD-OG 3.26Å; R666-S671 PolarHBondContact NH1-OG 3.14Å; R666-V827 HydrophobicContact CG-CG1 4.02Å; R666-V827 HydrophobicContact CG-CG2 4.01Å | ||
| 667 | K | 58.8 | Low | 59.9 | Low | 47 Ų | 47 | 48.8 Ų | 48.8 | 20% | 0.204 | 26% | 0.255 | C | S | . | . | trans | -69.2 | 150 | 158 | -57.5 | 172.6 | -178.8 | -178.4 | 0 | 108.5 | G665 E669 E670 F756 T910 | G665-K667 PolarHBondContact O-N 2.8Å; K667-E669 PolarHBondContact O-N 2.84Å; K667-E669 VanDerWaalsContact O-N 3.13Å; K667-E670 HydrophobicContact CB-CG 4.49Å; K667-E670 WeakPolarHBondContact CB-OE1 3.44Å; K667-E670 VanDerWaalsContact CG-OE1 3.3Å; K667-E670 WeakPolarHBondContact CG-OE1 3.44Å; K667-E670 PolarHBondContact N-OE1 2.98Å; K667-E670 WeakPolarHBondContact O-CB 3.44Å; K667-E670 PolarHBondContact O-N 2.98Å; K667-F756 HydrophobicContact CD-CE1 4.48Å; K667-F756 HydrophobicContact CD-CZ 4.28Å; K667-T910 PolarHBondContact NZ-OG1 2.9Å; K667-T910 VanDerWaalsContact NZ-OG1 3.08Å | ||
| 668 | K | 60.8 | Low | 62 | Low | 146 Ų | 146 | 44.2 Ų | 44.2 | 64% | 0.635 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -55.6 | -39.5 | -173.1 | -176.5 | -177.6 | 169.4 | -176.2 | 0 | 111.8 | E670 S671 D672 | K668-E670 PolarHBondContact O-N 3.46Å; K668-S671 WeakPolarHBondContact O-CB 3.42Å; K668-S671 PolarHBondContact O-N 2.63Å; K668-D672 PolarHBondContact O-N 3.01Å; K668-D672 VanDerWaalsContact O-N 3.12Å |
| 669 | E | 65 | Low | 63.9 | Low | 22 Ų | 22 | 42.7 Ų | 42.7 | 10% | 0.103 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.4 | -29.4 | -179.7 | -60.6 | 92.7 | 153.7 | 0 | 0 | 113.4 | K667 I673 C724 | K667-E669 PolarHBondContact O-N 2.84Å; K667-E669 VanDerWaalsContact O-N 3.13Å; E669-I673 WeakPolarHBondContact O-CB 3.24Å; E669-I673 WeakPolarHBondContact O-CD1 3.14Å; E669-I673 VanDerWaalsContact O-CG1 3.28Å; E669-I673 WeakPolarHBondContact O-CG1 3.06Å; E669-I673 PolarHBondContact O-N 3.41Å; E669-I673 VanDerWaalsContact O-N 3.16Å; E669-C724 WeakPolarHBondContact OE1-CB 3.44Å |
| 670 | E | 70.5 | Confident | 65.8 | Low | 3 Ų | 3 | 39 Ų | 39 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69 | -38.5 | 173.8 | -63.9 | 159.9 | -130.1 | 0 | 0 | 111.3 | R666 K667 K668 A674 F756 L879 L891 | R666-E670 HydrophobicContact CB-CB 4.37Å; R666-E670 HydrophobicContact CG-CB 4.34Å; K667-E670 HydrophobicContact CB-CG 4.49Å; K667-E670 WeakPolarHBondContact CB-OE1 3.44Å; K667-E670 VanDerWaalsContact CG-OE1 3.3Å; K667-E670 WeakPolarHBondContact CG-OE1 3.44Å; K667-E670 PolarHBondContact N-OE1 2.98Å; K667-E670 WeakPolarHBondContact O-CB 3.44Å; K667-E670 PolarHBondContact O-N 2.98Å; K668-E670 PolarHBondContact O-N 3.46Å; E670-A674 WeakPolarHBondContact O-CB 3.28Å; E670-A674 PolarHBondContact O-N 3.21Å; E670-F756 HydrophobicContact CG-CD1 3.73Å; E670-F756 HydrophobicContact CG-CE1 3.73Å; E670-L879 HydrophobicContact CB-CD2 3.93Å; E670-L891 HydrophobicContact CB-CD2 4.49Å; E670-L891 HydrophobicContact CG-CD2 4.3Å |
| 671 | S | 69.8 | Low | 67.9 | Low | 32 Ų | 32 | 38.1 Ų | 38.1 | 22% | 0.224 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.9 | -44.2 | 176.3 | -67.6 | 0 | 0 | 0 | 0 | 112 | R666 K668 I673 A674 R675 | R666-S671 WeakPolarHBondContact CD-OG 3.26Å; R666-S671 PolarHBondContact NH1-OG 3.14Å; K668-S671 WeakPolarHBondContact O-CB 3.42Å; K668-S671 PolarHBondContact O-N 2.63Å; S671-I673 PolarHBondContact O-N 3.4Å; S671-A674 PolarHBondContact O-N 2.89Å; S671-R675 VanDerWaalsContact O-CB 3.26Å; S671-R675 WeakPolarHBondContact O-CB 3.28Å; S671-R675 PolarHBondContact O-N 2.83Å |
| 672 | D | 72.2 | Confident | 70 | Confident | 58 Ų | 58 | 38.9 Ų | 38.9 | 31% | 0.31 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.5 | -40.7 | -179.5 | -64.6 | -27.1 | 0 | 0 | 0 | 111.1 | K668 T676 | K668-D672 PolarHBondContact O-N 3.01Å; K668-D672 VanDerWaalsContact O-N 3.12Å; D672-T676 PolarHBondContact O-N 3.05Å; D672-T676 PolarHBondContact O-OG1 2.89Å |
| 673 | I | 77.1 | Confident | 72.2 | Confident | 22 Ų | 22 | 36.4 Ų | 36.4 | 11% | 0.113 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.8 | -48 | 174.6 | -70.6 | 168.4 | 0 | 0 | 0 | 111.2 | E669 S671 R675 T676 A677 F756 L891 | E669-I673 WeakPolarHBondContact O-CB 3.24Å; E669-I673 WeakPolarHBondContact O-CD1 3.14Å; E669-I673 VanDerWaalsContact O-CG1 3.28Å; E669-I673 WeakPolarHBondContact O-CG1 3.06Å; E669-I673 PolarHBondContact O-N 3.41Å; E669-I673 VanDerWaalsContact O-N 3.16Å; S671-I673 PolarHBondContact O-N 3.4Å; I673-R675 PolarHBondContact O-N 3.5Å; I673-T676 WeakPolarHBondContact O-CB 3.45Å; I673-T676 PolarHBondContact O-N 3.07Å; I673-A677 WeakPolarHBondContact O-CB 3.31Å; I673-A677 PolarHBondContact O-N 2.95Å; I673-F756 HydrophobicContact CD1-CB 3.8Å; I673-L891 HydrophobicContact CG2-CD1 4.01Å |
| 674 | A | 80.9 | Confident | 74.3 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.5 | -44.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E670 S671 T676 A677 D678 L879 I880 | E670-A674 WeakPolarHBondContact O-CB 3.28Å; E670-A674 PolarHBondContact O-N 3.21Å; S671-A674 PolarHBondContact O-N 2.89Å; A674-T676 VanDerWaalsContact C-N 3.27Å; A674-T676 PolarHBondContact O-N 2.84Å; A674-A677 CarbonylContact O-C 3.57Å; A674-A677 WeakPolarHBondContact O-CA 3.4Å; A674-A677 WeakPolarHBondContact O-CB 3.36Å; A674-A677 PolarHBondContact O-N 3.49Å; A674-D678 PolarHBondContact O-N 3.32Å; A674-L879 HydrophobicContact CB-CD1 3.48Å; A674-L879 VanDerWaalsContact CB-CD1 3.48Å; A674-L879 HydrophobicContact CB-CD2 4Å; A674-L879 HydrophobicContact CB-CG 3.66Å; A674-I880 WeakPolarHBondContact CA-O 3.36Å |
| 675 | R | 83.1 | Confident | 76 | Confident | 124 Ų | 124 | 37 Ų | 37 | 47% | 0.468 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.5 | -39.2 | 177.6 | -171.2 | 174.3 | -170.6 | -104 | -6.7 | 112.2 | E644 S671 I673 I679 | E644-R675 IonicContact OE1-CZ 2.7Å; E644-R675 IonicContact OE1-NE 3.46Å; E644-R675 PolarHBondContact OE1-NE 3.32Å; E644-R675 IonicContact OE1-NH2 3.17Å; E644-R675 PolarHBondContact OE1-NH2 2.93Å; S671-R675 VanDerWaalsContact O-CB 3.26Å; S671-R675 WeakPolarHBondContact O-CB 3.28Å; S671-R675 PolarHBondContact O-N 2.83Å; I673-R675 PolarHBondContact O-N 3.5Å; R675-I679 HydrophobicContact CG-CD1 4.48Å; R675-I679 WeakPolarHBondContact O-CD1 3.35Å; R675-I679 VanDerWaalsContact O-CG1 3.28Å; R675-I679 WeakPolarHBondContact O-CG1 3.37Å; R675-I679 PolarHBondContact O-N 3.15Å; R675-I679 VanDerWaalsContact O-N 3.16Å |
| 676 | T | 83.6 | Confident | 78 | Confident | 30 Ų | 30 | 34.4 Ų | 34.4 | 18% | 0.184 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.2 | -42.6 | 173.1 | -53.8 | 0 | 0 | 0 | 0 | 111.4 | D672 I673 A674 I679 L680 A717 L883 | D672-T676 PolarHBondContact O-N 3.05Å; D672-T676 PolarHBondContact O-OG1 2.89Å; I673-T676 WeakPolarHBondContact O-CB 3.45Å; I673-T676 PolarHBondContact O-N 3.07Å; A674-T676 VanDerWaalsContact C-N 3.27Å; A674-T676 PolarHBondContact O-N 2.84Å; T676-I679 PolarHBondContact O-N 3.39Å; T676-L680 HydrophobicContact CG2-CD1 4.21Å; T676-L680 WeakPolarHBondContact O-CG 3.25Å; T676-L680 PolarHBondContact O-N 3.38Å; T676-A717 HydrophobicContact CG2-CB 3.51Å; T676-A717 VanDerWaalsContact OG1-CB 3.25Å; T676-A717 WeakPolarHBondContact OG1-CB 3.24Å; T676-L883 HydrophobicContact CG2-CD2 4.33Å |
| 677 | A | 87.3 | Confident | 79.2 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.9 | -38.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I673 A674 L680 L681 I880 Q882 | I673-A677 WeakPolarHBondContact O-CB 3.31Å; I673-A677 PolarHBondContact O-N 2.95Å; A674-A677 CarbonylContact O-C 3.57Å; A674-A677 WeakPolarHBondContact O-CA 3.4Å; A674-A677 WeakPolarHBondContact O-CB 3.36Å; A674-A677 PolarHBondContact O-N 3.49Å; A677-L680 PolarHBondContact O-N 2.74Å; A677-L681 VanDerWaalsContact O-CB 3.27Å; A677-L681 WeakPolarHBondContact O-CB 3.39Å; A677-L681 PolarHBondContact O-N 3.44Å; A677-I880 HydrophobicContact CB-CB 4.27Å; A677-I880 HydrophobicContact CB-CD1 3.73Å; A677-I880 HydrophobicContact CB-CG1 3.68Å; A677-Q882 WeakPolarHBondContact CA-O 3.19Å; A677-Q882 HydrophobicContact CB-CG 3.9Å; A677-Q882 WeakPolarHBondContact CB-O 3.43Å |
| 678 | D | 87.7 | Confident | 80 | Confident | 45 Ų | 45 | 31 Ų | 31 | 24% | 0.241 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68 | -39.5 | 176 | -72.2 | -54.1 | 0 | 0 | 0 | 111.5 | V640 A674 L681 E682 I880 R888 | V640-D678 HydrophobicContact CG2-CB 4.32Å; A674-D678 PolarHBondContact O-N 3.32Å; D678-L681 PolarHBondContact O-N 2.91Å; D678-E682 PolarHBondContact O-N 3.24Å; D678-I880 VanDerWaalsContact OD1-CD1 3.25Å; D678-I880 WeakPolarHBondContact OD1-CD1 3.38Å; D678-R888 IonicContact OD1-NH1 3.78Å |
| 679 | I | 87.8 | Confident | 80.6 | Confident | 21 Ų | 21 | 29.3 Ų | 29.3 | 11% | 0.108 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.1 | -46.6 | 172.2 | -67.1 | 160 | 0 | 0 | 0 | 110.7 | V633 A636 E637 V640 R675 T676 L681 E682 A683 | V633-I679 HydrophobicContact CG1-CG2 4.17Å; A636-I679 HydrophobicContact CB-CG2 4.21Å; A636-I679 VanDerWaalsContact CB-O 3.24Å; A636-I679 WeakPolarHBondContact CB-O 3.41Å; E637-I679 HydrophobicContact CG-CD1 4.06Å; E637-I679 HydrophobicContact CG-CG1 4.28Å; E637-I679 HydrophobicContact CG-CG2 3.74Å; V640-I679 HydrophobicContact CB-CG1 4.24Å; V640-I679 HydrophobicContact CG1-CG1 4.33Å; V640-I679 HydrophobicContact CG2-CG1 4.11Å; R675-I679 HydrophobicContact CG-CD1 4.48Å; R675-I679 WeakPolarHBondContact O-CD1 3.35Å; R675-I679 VanDerWaalsContact O-CG1 3.28Å; R675-I679 WeakPolarHBondContact O-CG1 3.37Å; R675-I679 PolarHBondContact O-N 3.15Å; R675-I679 VanDerWaalsContact O-N 3.16Å; T676-I679 PolarHBondContact O-N 3.39Å; I679-L681 VanDerWaalsContact C-N 3.32Å; I679-L681 PolarHBondContact O-N 3.39Å; I679-E682 PolarHBondContact O-N 3.39Å; I679-A683 VanDerWaalsContact O-CB 3.24Å; I679-A683 WeakPolarHBondContact O-CB 3.37Å; I679-A683 PolarHBondContact O-N 2.87Å |
| 680 | L | 88.3 | Confident | 80.7 | Confident | 8 Ų | 8 | 31 Ų | 31 | 4% | 0.042 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.9 | -30 | 178.6 | -68.9 | 172.6 | 0 | 0 | 0 | 112.7 | T676 A677 T684 L883 | T676-L680 HydrophobicContact CG2-CD1 4.21Å; T676-L680 WeakPolarHBondContact O-CG 3.25Å; T676-L680 PolarHBondContact O-N 3.38Å; A677-L680 PolarHBondContact O-N 2.74Å; L680-T684 WeakPolarHBondContact O-CB 3.41Å; L680-T684 PolarHBondContact O-N 3.49Å; L680-T684 PolarHBondContact O-OG1 2.99Å; L680-L883 VanDerWaalsContact CD1-C 3.49Å |
| 681 | L | 88.6 | Confident | 80.3 | Confident | 13 Ų | 13 | 31.7 Ų | 31.7 | 7% | 0.068 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.2 | -52.4 | 173.8 | -172.3 | 73.9 | 0 | 0 | 0 | 110.8 | A677 D678 I679 A683 T684 K685 F771 I880 R888 | A677-L681 VanDerWaalsContact O-CB 3.27Å; A677-L681 WeakPolarHBondContact O-CB 3.39Å; A677-L681 PolarHBondContact O-N 3.44Å; D678-L681 PolarHBondContact O-N 2.91Å; I679-L681 VanDerWaalsContact C-N 3.32Å; I679-L681 PolarHBondContact O-N 3.39Å; L681-A683 VanDerWaalsContact C-N 3.35Å; L681-A683 PolarHBondContact O-N 3.15Å; L681-T684 WeakPolarHBondContact O-CB 3.45Å; L681-T684 PolarHBondContact O-N 3.24Å; L681-T684 VanDerWaalsContact O-N 3.17Å; L681-K685 PolarHBondContact O-N 3.06Å; L681-K685 VanDerWaalsContact O-N 3.12Å; L681-F771 HydrophobicContact CD1-CD2 4.18Å; L681-F771 HydrophobicContact CD1-CE2 3.38Å; L681-F771 HydrophobicContact CD1-CZ 3.74Å; L681-F771 HydrophobicContact CG-CE2 3.82Å; L681-F771 HydrophobicContact CG-CZ 3.7Å; L681-F771 WeakPolarHBondContact O-CE2 3.18Å; L681-F771 VanDerWaalsContact O-CZ 3.32Å; L681-F771 WeakPolarHBondContact O-CZ 3.45Å; L681-I880 HydrophobicContact CB-CD1 4.34Å; L681-I880 HydrophobicContact CD2-CD1 4.01Å; L681-R888 HydrophobicContact CD1-CB 3.8Å; L681-R888 HydrophobicContact CD1-CG 4.27Å; L681-R888 HydrophobicContact CD2-CG 4.2Å |
| 682 | E | 88.2 | Confident | 80 | Confident | 38 Ų | 38 | 31.5 Ų | 31.5 | 18% | 0.178 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.4 | -32.8 | 178.8 | -172.8 | 65.2 | -159.5 | 0 | 0 | 111.8 | A636 R639 D678 I679 T684 K685 V686 | A636-E682 HydrophobicContact CB-CB 3.89Å; A636-E682 HydrophobicContact CB-CG 4.12Å; R639-E682 HydrophobicContact CB-CG 4.07Å; R639-E682 WeakPolarHBondContact CD-OE1 3.09Å; R639-E682 IonicContact CZ-OE1 2.7Å; R639-E682 IonicContact NE-OE1 2.7Å; R639-E682 IonicContact NH1-OE1 2.64Å; R639-E682 PolarHBondContact NH1-OE1 2.81Å; D678-E682 PolarHBondContact O-N 3.24Å; I679-E682 PolarHBondContact O-N 3.39Å; E682-T684 VanDerWaalsContact C-N 3.3Å; E682-T684 PolarHBondContact O-N 3.01Å; E682-K685 WeakPolarHBondContact O-CB 3.43Å; E682-K685 PolarHBondContact O-N 3.28Å; E682-K685 VanDerWaalsContact O-N 3.17Å; E682-K685 IonicContact OE1-NZ 3.52Å; E682-K685 PolarHBondContact OE1-NZ 2.95Å; E682-K685 WeakPolarHBondContact OE2-CD 3.48Å; E682-K685 IonicContact OE2-NZ 2.97Å; E682-K685 PolarHBondContact OE2-NZ 3.09Å; E682-V686 WeakPolarHBondContact O-CG2 3.49Å; E682-V686 PolarHBondContact O-N 3.32Å |
| 683 | A | 87 | Confident | 78.9 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.6 | -35.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | V633 A636 I679 L681 K685 L687 L885 | V633-A683 HydrophobicContact CG2-CB 4.08Å; A636-A683 HydrophobicContact CB-CB 3.78Å; A636-A683 VanDerWaalsContact CB-N 3.31Å; I679-A683 VanDerWaalsContact O-CB 3.24Å; I679-A683 WeakPolarHBondContact O-CB 3.37Å; I679-A683 PolarHBondContact O-N 2.87Å; L681-A683 VanDerWaalsContact C-N 3.35Å; L681-A683 PolarHBondContact O-N 3.15Å; A683-K685 VanDerWaalsContact C-N 3.33Å; A683-L687 WeakPolarHBondContact O-CG 3.46Å; A683-L687 PolarHBondContact O-N 3.34Å; A683-L687 VanDerWaalsContact O-N 3.1Å; A683-L885 HydrophobicContact CB-CD2 3.86Å |
| 684 | T | 84.9 | Confident | 77.7 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.5 | -41.2 | 173.3 | -53.9 | 0 | 0 | 0 | 0 | 110.7 | L680 L681 E682 L687 I688 V700 A703 F771 L885 G886 | L680-T684 WeakPolarHBondContact O-CB 3.41Å; L680-T684 PolarHBondContact O-N 3.49Å; L680-T684 PolarHBondContact O-OG1 2.99Å; L681-T684 WeakPolarHBondContact O-CB 3.45Å; L681-T684 PolarHBondContact O-N 3.24Å; L681-T684 VanDerWaalsContact O-N 3.17Å; E682-T684 VanDerWaalsContact C-N 3.3Å; E682-T684 PolarHBondContact O-N 3.01Å; T684-L687 PolarHBondContact O-N 3.48Å; T684-I688 HydrophobicContact CG2-CD1 3.84Å; T684-I688 WeakPolarHBondContact O-CD1 3.49Å; T684-I688 VanDerWaalsContact O-CG1 3.25Å; T684-I688 WeakPolarHBondContact O-CG1 3.25Å; T684-I688 PolarHBondContact O-N 2.61Å; T684-I688 VanDerWaalsContact O-N 3.08Å; T684-V700 HydrophobicContact CG2-CG1 4.38Å; T684-A703 HydrophobicContact CG2-CB 4.17Å; T684-F771 HydrophobicContact CG2-CD2 4.46Å; T684-F771 HydrophobicContact CG2-CE2 4.37Å; T684-L885 VanDerWaalsContact OG1-CA 3.25Å; T684-L885 WeakPolarHBondContact OG1-CA 3.21Å; T684-L885 WeakPolarHBondContact OG1-CB 3.22Å; T684-L885 VanDerWaalsContact OG1-CD2 3.29Å; T684-L885 WeakPolarHBondContact OG1-CD2 3.48Å; T684-G886 PolarHBondContact OG1-N 2.62Å |
| 685 | K | 83.9 | Confident | 76.2 | Confident | 57 Ų | 57 | 45 Ų | 45 | 25% | 0.248 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.5 | -49.3 | 176.6 | -176.8 | -176.7 | 151.9 | -143.6 | 0 | 112 | L681 E682 A683 L687 I688 E689 F771 | L681-K685 PolarHBondContact O-N 3.06Å; L681-K685 VanDerWaalsContact O-N 3.12Å; E682-K685 WeakPolarHBondContact O-CB 3.43Å; E682-K685 PolarHBondContact O-N 3.28Å; E682-K685 VanDerWaalsContact O-N 3.17Å; E682-K685 IonicContact OE1-NZ 3.52Å; E682-K685 PolarHBondContact OE1-NZ 2.95Å; E682-K685 WeakPolarHBondContact OE2-CD 3.48Å; E682-K685 IonicContact OE2-NZ 2.97Å; E682-K685 PolarHBondContact OE2-NZ 3.09Å; A683-K685 VanDerWaalsContact C-N 3.33Å; K685-L687 VanDerWaalsContact C-N 3.27Å; K685-L687 PolarHBondContact O-N 2.89Å; K685-I688 PolarHBondContact O-N 3.02Å; K685-E689 VanDerWaalsContact CE-CD 3.48Å; K685-E689 WeakPolarHBondContact CE-OE1 3.48Å; K685-E689 VanDerWaalsContact CE-OE2 3.29Å; K685-E689 WeakPolarHBondContact CE-OE2 3.31Å; K685-E689 VanDerWaalsContact CG-CD 3.48Å; K685-E689 HydrophobicContact CG-CG 4.2Å; K685-E689 WeakPolarHBondContact CG-OE1 3.22Å; K685-E689 WeakPolarHBondContact O-CB 3.46Å; K685-E689 WeakPolarHBondContact O-CG 3.43Å; K685-E689 PolarHBondContact O-N 3.27Å; K685-F771 HydrophobicContact CB-CE1 3.92Å; K685-F771 HydrophobicContact CB-CE2 4.46Å; K685-F771 HydrophobicContact CB-CZ 3.71Å; K685-F771 HydrophobicContact CD-CE1 4.16Å; K685-F771 HydrophobicContact CG-CE1 4.18Å; K685-F771 HydrophobicContact CG-CZ 4.46Å |
| 686 | V | 81.2 | Confident | 74.6 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -53.3 | -44 | 174.5 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | A632 I635 E682 I688 E689 D690 Y691 | A632-V686 HydrophobicContact CB-CB 4.26Å; A632-V686 HydrophobicContact CB-CG1 3.84Å; I635-V686 HydrophobicContact CB-CG2 4.43Å; I635-V686 HydrophobicContact CD1-CG1 4.25Å; I635-V686 HydrophobicContact CG2-CG1 4.49Å; I635-V686 HydrophobicContact CG2-CG2 3.8Å; E682-V686 WeakPolarHBondContact O-CG2 3.49Å; E682-V686 PolarHBondContact O-N 3.32Å; V686-I688 PolarHBondContact O-N 2.8Å; V686-E689 PolarHBondContact O-N 2.93Å; V686-D690 WeakPolarHBondContact O-CB 3.49Å; V686-D690 PolarHBondContact O-N 3.27Å; V686-Y691 HydrophobicContact CG1-CE2 4.28Å |
| 687 | L | 77.7 | Confident | 73.1 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -63.3 | -40.6 | 176 | -70 | 168.1 | 0 | 0 | 0 | 112.8 | I624 T628 A632 A683 T684 K685 Y691 F692 L885 | I624-L687 HydrophobicContact CD1-CD2 4.46Å; I624-L687 HydrophobicContact CG1-CD2 4.43Å; I624-L687 HydrophobicContact CG2-CD2 4.18Å; T628-L687 HydrophobicContact CG2-CD2 3.7Å; A632-L687 HydrophobicContact CB-CD1 4.38Å; A632-L687 HydrophobicContact CB-CD2 3.82Å; A632-L687 HydrophobicContact CB-CG 3.74Å; A683-L687 WeakPolarHBondContact O-CG 3.46Å; A683-L687 PolarHBondContact O-N 3.34Å; A683-L687 VanDerWaalsContact O-N 3.1Å; T684-L687 PolarHBondContact O-N 3.48Å; K685-L687 VanDerWaalsContact C-N 3.27Å; K685-L687 PolarHBondContact O-N 2.89Å; L687-Y691 HydrophobicContact CD2-CD2 4.06Å; L687-Y691 HydrophobicContact CD2-CG 4.44Å; L687-Y691 WeakPolarHBondContact O-CB 3.28Å; L687-Y691 PolarHBondContact O-N 3.18Å; L687-F692 WeakPolarHBondContact O-CD2 3.47Å; L687-F692 PolarHBondContact O-N 2.67Å; L687-F692 VanDerWaalsContact O-N 3.14Å; L687-L885 HydrophobicContact CD1-CD1 3.54Å; L687-L885 HydrophobicContact CD1-CD2 4.17Å; L687-L885 HydrophobicContact CD1-CG 4.49Å |
| 688 | I | 74.3 | Confident | 71.8 | Confident | 30 Ų | 30 | 53.7 Ų | 53.7 | 15% | 0.154 | 29% | 0.29 | C | S | . | . | I | π-helix | trans | -69 | -38.4 | 179.8 | -70.4 | 162.8 | 0 | 0 | 0 | 112.4 | T684 K685 V686 F692 K699 V700 | T684-I688 HydrophobicContact CG2-CD1 3.84Å; T684-I688 WeakPolarHBondContact O-CD1 3.49Å; T684-I688 VanDerWaalsContact O-CG1 3.25Å; T684-I688 WeakPolarHBondContact O-CG1 3.25Å; T684-I688 PolarHBondContact O-N 2.61Å; T684-I688 VanDerWaalsContact O-N 3.08Å; K685-I688 PolarHBondContact O-N 3.02Å; V686-I688 PolarHBondContact O-N 2.8Å; I688-F692 HydrophobicContact CG1-CD2 4.5Å; I688-K699 HydrophobicContact CG1-CB 4.22Å; I688-K699 HydrophobicContact CG2-CB 4.46Å; I688-K699 HydrophobicContact CG2-CD 4Å; I688-V700 HydrophobicContact CD1-CB 4.35Å; I688-V700 HydrophobicContact CD1-CG1 4.47Å; I688-V700 HydrophobicContact CD1-CG2 3.79Å |
| 689 | E | 73.2 | Confident | 70.7 | Confident | 112 Ų | 112 | 53.4 Ų | 53.4 | 52% | 0.523 | 29% | 0.286 | S | S | . | . | I | π-helix | trans | -81.1 | -50.7 | -177 | -69.1 | 175.3 | 164.9 | 0 | 0 | 111.9 | R639 K685 V686 | R639-E689 IonicContact NH1-OE2 3.03Å; K685-E689 VanDerWaalsContact CE-CD 3.48Å; K685-E689 WeakPolarHBondContact CE-OE1 3.48Å; K685-E689 VanDerWaalsContact CE-OE2 3.29Å; K685-E689 WeakPolarHBondContact CE-OE2 3.31Å; K685-E689 VanDerWaalsContact CG-CD 3.48Å; K685-E689 HydrophobicContact CG-CG 4.2Å; K685-E689 WeakPolarHBondContact CG-OE1 3.22Å; K685-E689 WeakPolarHBondContact O-CB 3.46Å; K685-E689 WeakPolarHBondContact O-CG 3.43Å; K685-E689 PolarHBondContact O-N 3.27Å; V686-E689 PolarHBondContact O-N 2.93Å |
| 690 | D | 66.7 | Low | 69.4 | Low | 56 Ų | 56 | 53.2 Ų | 53.2 | 30% | 0.299 | 29% | 0.286 | S | S | . | . | I | π-helix | trans | -95.7 | -19.5 | -169.9 | -70.2 | -57.4 | 0 | 0 | 0 | 115 | S558 V686 | S558-D690 PolarHBondContact OG-OD1 2.88Å; V686-D690 WeakPolarHBondContact O-CB 3.49Å; V686-D690 PolarHBondContact O-N 3.27Å |
| 691 | Y | 63.7 | Low | 68.3 | Low | 18 Ų | 18 | 54.8 Ų | 54.8 | 7% | 0.071 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -124.5 | -22.8 | -169.3 | -64 | -88.4 | 0 | 0 | 0 | 116 | S368 T628 V686 L687 | S368-Y691 VanDerWaalsContact CB-CE1 3.47Å; S368-Y691 VanDerWaalsContact CB-CZ 3.48Å; S368-Y691 WeakPolarHBondContact CB-OH 3.31Å; S368-Y691 PolarHBondContact OG-OH 3.06Å; T628-Y691 HydrophobicContact CG2-CD1 3.35Å; T628-Y691 HydrophobicContact CG2-CD2 4.02Å; T628-Y691 HydrophobicContact CG2-CE1 3.38Å; T628-Y691 HydrophobicContact CG2-CE2 4.03Å; T628-Y691 HydrophobicContact CG2-CG 3.66Å; V686-Y691 HydrophobicContact CG1-CE2 4.28Å; L687-Y691 HydrophobicContact CD2-CD2 4.06Å; L687-Y691 HydrophobicContact CD2-CG 4.44Å; L687-Y691 WeakPolarHBondContact O-CB 3.28Å; L687-Y691 PolarHBondContact O-N 3.18Å |
| 692 | F | 63 | Low | 67 | Low | 28 Ų | 28 | 60.8 Ų | 60.8 | 12% | 0.123 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -88.7 | 111 | 174.7 | -87.3 | -80.4 | 0 | 0 | 0 | 111.6 | I624 L687 I688 C696 K699 A703 | I624-F692 HydrophobicContact CD1-CD2 3.95Å; I624-F692 HydrophobicContact CD1-CE1 4.31Å; I624-F692 HydrophobicContact CD1-CE2 3.41Å; I624-F692 VanDerWaalsContact CD1-CE2 3.41Å; I624-F692 HydrophobicContact CD1-CZ 3.61Å; L687-F692 WeakPolarHBondContact O-CD2 3.47Å; L687-F692 PolarHBondContact O-N 2.67Å; L687-F692 VanDerWaalsContact O-N 3.14Å; I688-F692 HydrophobicContact CG1-CD2 4.5Å; F692-C696 HydrophobicContact CD1-CB 4.32Å; F692-K699 HydrophobicContact CB-CB 4.38Å; F692-K699 HydrophobicContact CB-CD 3.51Å; F692-K699 HydrophobicContact CB-CG 3.87Å; F692-K699 HydrophobicContact CD1-CB 4.22Å; F692-K699 HydrophobicContact CD1-CG 4.1Å; F692-K699 HydrophobicContact CD2-CB 4.2Å; F692-K699 HydrophobicContact CG-CB 4.03Å; F692-K699 HydrophobicContact CG-CD 4.14Å; F692-K699 HydrophobicContact CG-CG 3.97Å; F692-K699 WeakPolarHBondContact CZ-O 3.5Å; F692-K699 WeakPolarHBondContact O-CE 3.41Å; F692-K699 PolarHBondContact O-NZ 2.72Å; F692-A703 HydrophobicContact CE2-CB 4.05Å; F692-A703 HydrophobicContact CZ-CB 4.48Å |
| 693 | L | 49.8 | Very low | 65.6 | Low | 139 Ų | 139 | 59 Ų | 59 | 73% | 0.728 | 31% | 0.31 | S | S | * | . | trans | -48.7 | 146.9 | 169.2 | -64.6 | 174 | 0 | 0 | 0 | 112.5 | K699 | L693-K699 WeakPolarHBondContact O-CE 3.38Š| ||
| 694 | D | 51.8 | Low | 64.2 | Low | 150 Ų | 150 | 59.6 Ų | 59.6 | 80% | 0.802 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 149.1 | 175.3 | -78.6 | -24.2 | 0 | 0 | 0 | 113 | K699 | D694-K699 IonicContact OD1-NZ 3.19Å; D694-K699 PolarHBondContact OD1-NZ 2.88Å |
| 695 | G | 47.7 | Very low | 63.1 | Low | 76 Ų | 76 | 65.2 Ų | 65.2 | 78% | 0.784 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.4 | -18.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115 | K697 | G695-K697 PolarHBondContact O-N 3.07Š|
| 696 | C | 50.2 | Low | 61.9 | Low | 63 Ų | 63 | 65.3 Ų | 65.3 | 43% | 0.426 | 35% | 0.347 | S | S | . | . | trans | -64.9 | 98.6 | 175.6 | -85 | 0 | 0 | 0 | 0 | 112.6 | F692 K699 | F692-C696 HydrophobicContact CD1-CB 4.32Å; C696-K699 HydrophobicContact CB-CG 4.03Å; C696-K699 VanDerWaalsContact O-CG 3.26Å; C696-K699 WeakPolarHBondContact O-CG 3.43Å | ||
| 697 | K | 52 | Low | 60.7 | Low | 178 Ų | 178 | 66 Ų | 66 | 77% | 0.774 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 137.1 | 170.6 | -68.7 | -176.9 | 178.8 | 178.7 | 0 | 110.5 | G695 | G695-K697 PolarHBondContact O-N 3.07Š|
| 698 | N | 60.5 | Low | 59.4 | Low | 95 Ų | 95 | 71 Ų | 71 | 51% | 0.508 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | 33.7 | -175.7 | -48.9 | -73.9 | 0 | 0 | 0 | 116.3 | V700 T701 Y702 | N698-V700 VanDerWaalsContact C-N 3.26Å; N698-V700 PolarHBondContact O-N 3.48Å; N698-V700 VanDerWaalsContact O-N 3.11Å; N698-T701 PolarHBondContact O-N 3.13Å; N698-Y702 PolarHBondContact O-N 3.14Å |
| 699 | K | 64.9 | Low | 57.9 | Low | 39 Ų | 39 | 77 Ų | 77 | 17% | 0.17 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -37.8 | -53.6 | 174.8 | -62.2 | -172 | 175.9 | -168.3 | 0 | 112.4 | I688 F692 L693 D694 C696 T701 Y702 A703 | I688-K699 HydrophobicContact CG1-CB 4.22Å; I688-K699 HydrophobicContact CG2-CB 4.46Å; I688-K699 HydrophobicContact CG2-CD 4Å; F692-K699 HydrophobicContact CB-CB 4.38Å; F692-K699 HydrophobicContact CB-CD 3.51Å; F692-K699 HydrophobicContact CB-CG 3.87Å; F692-K699 HydrophobicContact CD1-CB 4.22Å; F692-K699 HydrophobicContact CD1-CG 4.1Å; F692-K699 HydrophobicContact CD2-CB 4.2Å; F692-K699 HydrophobicContact CG-CB 4.03Å; F692-K699 HydrophobicContact CG-CD 4.14Å; F692-K699 HydrophobicContact CG-CG 3.97Å; F692-K699 WeakPolarHBondContact CZ-O 3.5Å; F692-K699 WeakPolarHBondContact O-CE 3.41Å; F692-K699 PolarHBondContact O-NZ 2.72Å; L693-K699 WeakPolarHBondContact O-CE 3.38Å; D694-K699 IonicContact OD1-NZ 3.19Å; D694-K699 PolarHBondContact OD1-NZ 2.88Å; C696-K699 HydrophobicContact CB-CG 4.03Å; C696-K699 VanDerWaalsContact O-CG 3.26Å; C696-K699 WeakPolarHBondContact O-CG 3.43Å; K699-T701 PolarHBondContact O-N 3.49Å; K699-Y702 PolarHBondContact O-N 3.43Å; K699-A703 PolarHBondContact O-N 3.39Å |
| 700 | V | 60.2 | Low | 56.4 | Low | 16 Ų | 16 | 75 Ų | 75 | 10% | 0.097 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -57.7 | -40 | 179.1 | -160.9 | 0 | 0 | 0 | 0 | 114.2 | T684 I688 N698 A703 G704 F771 Y887 | T684-V700 HydrophobicContact CG2-CG1 4.38Å; I688-V700 HydrophobicContact CD1-CB 4.35Å; I688-V700 HydrophobicContact CD1-CG1 4.47Å; I688-V700 HydrophobicContact CD1-CG2 3.79Å; N698-V700 VanDerWaalsContact C-N 3.26Å; N698-V700 PolarHBondContact O-N 3.48Å; N698-V700 VanDerWaalsContact O-N 3.11Å; V700-A703 PolarHBondContact O-N 3.01Å; V700-G704 PolarHBondContact O-N 3.24Å; V700-G704 VanDerWaalsContact O-N 3.07Å; V700-F771 HydrophobicContact CG2-CB 4.37Å; V700-Y887 HydrophobicContact CB-CD1 4.39Å; V700-Y887 HydrophobicContact CB-CE1 3.84Å; V700-Y887 HydrophobicContact CB-CE2 4.33Å; V700-Y887 HydrophobicContact CG1-CD1 3.79Å; V700-Y887 HydrophobicContact CG1-CD2 4.03Å; V700-Y887 HydrophobicContact CG1-CE1 3.74Å; V700-Y887 HydrophobicContact CG1-CE2 3.97Å; V700-Y887 HydrophobicContact CG1-CG 3.93Å; V700-Y887 HydrophobicContact CG2-CE1 4.01Å |
| 701 | T | 64.5 | Low | 55.4 | Low | 41 Ų | 41 | 82.9 Ų | 82.9 | 25% | 0.252 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -71.4 | -35.9 | -179 | -54.3 | 0 | 0 | 0 | 0 | 111.1 | N698 K699 M705 K764 Y887 | N698-T701 PolarHBondContact O-N 3.13Å; K699-T701 PolarHBondContact O-N 3.49Å; T701-M705 WeakPolarHBondContact O-CG 3.36Å; T701-M705 PolarHBondContact O-N 3.18Å; T701-M705 VanDerWaalsContact O-N 3.12Å; T701-K764 PolarHBondContact OG1-NZ 3.3Å; T701-Y887 PolarHBondContact OG1-OH 2.76Å |
| 702 | Y | 62 | Low | 54.5 | Low | 139 Ų | 139 | 86.4 Ų | 86.4 | 55% | 0.545 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.7 | -41.7 | 172.1 | -80.4 | -76.2 | 0 | 0 | 0 | 111.8 | N698 K699 G704 M705 L706 | N698-Y702 PolarHBondContact O-N 3.14Å; K699-Y702 PolarHBondContact O-N 3.43Å; Y702-G704 PolarHBondContact O-N 2.85Å; Y702-M705 PolarHBondContact O-N 3.22Å; Y702-M705 VanDerWaalsContact O-N 3.15Å; Y702-L706 WeakPolarHBondContact O-CG 3.13Å; Y702-L706 PolarHBondContact O-N 2.03Å |
| 703 | A | 58.2 | Low | 53.6 | Low | 0 Ų | 0 | 88.4 Ų | 88.4 | 0% | 0 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -56.2 | -47.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T684 F692 K699 V700 M705 L706 | T684-A703 HydrophobicContact CG2-CB 4.17Å; F692-A703 HydrophobicContact CE2-CB 4.05Å; F692-A703 HydrophobicContact CZ-CB 4.48Å; K699-A703 PolarHBondContact O-N 3.39Å; V700-A703 PolarHBondContact O-N 3.01Å; A703-M705 VanDerWaalsContact C-N 3.34Å; A703-M705 PolarHBondContact O-N 3.34Å; A703-L706 PolarHBondContact O-N 2.94Å |
| 704 | G | 57.8 | Low | 53.3 | Low | 13 Ų | 13 | 83.4 Ų | 83.4 | 13% | 0.134 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -66.8 | -29.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | V700 Y702 N708 L885 | V700-G704 PolarHBondContact O-N 3.24Å; V700-G704 VanDerWaalsContact O-N 3.07Å; Y702-G704 PolarHBondContact O-N 2.85Å; G704-N708 PolarHBondContact O-ND2 3.05Å; G704-L885 VanDerWaalsContact CA-O 3.32Å; G704-L885 WeakPolarHBondContact CA-O 3.42Å |
| 705 | M | 62.5 | Low | 52.5 | Low | 118 Ų | 118 | 79.4 Ų | 79.4 | 58% | 0.581 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -67.6 | -33.2 | 174.8 | -81.8 | -179.5 | 154.6 | 0 | 0 | 113.1 | T701 Y702 A703 L707 N708 | T701-M705 WeakPolarHBondContact O-CG 3.36Å; T701-M705 PolarHBondContact O-N 3.18Å; T701-M705 VanDerWaalsContact O-N 3.12Å; Y702-M705 PolarHBondContact O-N 3.22Å; Y702-M705 VanDerWaalsContact O-N 3.15Å; A703-M705 VanDerWaalsContact C-N 3.34Å; A703-M705 PolarHBondContact O-N 3.34Å; M705-L707 PolarHBondContact O-N 3.47Å; M705-N708 PolarHBondContact O-N 2.84Å |
| 706 | L | 58.6 | Low | 52 | Low | 60 Ų | 60 | 82.9 Ų | 82.9 | 31% | 0.314 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.9 | -32.8 | -173.4 | -72 | 163.2 | 0 | 0 | 0 | 113.5 | I624 I629 Y702 A703 | I624-L706 HydrophobicContact CB-CD1 3.99Å; I624-L706 HydrophobicContact CD1-CD1 3.72Å; I624-L706 HydrophobicContact CG1-CD1 4.46Å; I624-L706 HydrophobicContact CG2-CD1 3.83Å; I629-L706 HydrophobicContact CD1-CB 4.34Å; Y702-L706 WeakPolarHBondContact O-CG 3.13Å; Y702-L706 PolarHBondContact O-N 2.03Å; A703-L706 PolarHBondContact O-N 2.94Å |
| 707 | L | 55.2 | Low | 51.5 | Low | 13 Ų | 13 | 81.5 Ų | 81.5 | 7% | 0.068 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -90.5 | -8.4 | 176.2 | -83 | -167.2 | 0 | 0 | 0 | 115.5 | I629 M705 N709 E710 L885 | I629-L707 HydrophobicContact CD1-CD2 4.31Å; I629-L707 HydrophobicContact CG2-CD1 4.45Å; I629-L707 HydrophobicContact CG2-CD2 4.13Å; I629-L707 HydrophobicContact CG2-CG 4.4Å; M705-L707 PolarHBondContact O-N 3.47Å; L707-N709 PolarHBondContact O-N 3.03Å; L707-E710 HydrophobicContact CD2-CB 4.09Å; L707-E710 CarbonylContact O-C 3.57Å; L707-E710 PolarHBondContact O-N 2.85Å; L707-L885 HydrophobicContact CD1-CD1 3.82Å; L707-L885 HydrophobicContact CD1-CG 3.74Å; L707-L885 HydrophobicContact CG-CD1 3.85Å; L707-L885 HydrophobicContact CG-CG 4.27Å |
| 708 | N | 50.5 | Low | 51.1 | Low | 108 Ų | 108 | 74.7 Ų | 74.7 | 58% | 0.578 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -17.4 | 178.5 | -82.3 | -31.9 | 0 | 0 | 0 | 113.6 | G704 M705 | G704-N708 PolarHBondContact O-ND2 3.05Å; M705-N708 PolarHBondContact O-N 2.84Å |
| 709 | N | 42.1 | Very low | 50.1 | Low | 154 Ų | 154 | 72 Ų | 72 | 82% | 0.824 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -20.8 | 173.8 | -70.1 | -20.4 | 0 | 0 | 0 | 114.1 | L707 | L707-N709 PolarHBondContact O-N 3.03Š|
| 710 | E | 42.6 | Very low | 49.2 | Very low | 70 Ų | 70 | 75.8 Ų | 75.8 | 33% | 0.327 | 40% | 0.404 | S | S | . | . | trans | -114.5 | 90.9 | -178.1 | -71.7 | -156.4 | 168.4 | 0 | 0 | 111.9 | K626 L707 I712 | K626-E710 WeakPolarHBondContact CE-OE2 3.16Å; L707-E710 HydrophobicContact CD2-CB 4.09Å; L707-E710 CarbonylContact O-C 3.57Å; L707-E710 PolarHBondContact O-N 2.85Å; E710-I712 HydrophobicContact CB-CD1 4.24Å; E710-I712 HydrophobicContact CB-CG1 4.19Å; E710-I712 HydrophobicContact CG-CD1 4.29Å; E710-I712 PolarHBondContact O-N 2.96Å | ||
| 711 | R | 45.7 | Very low | 48.6 | Very low | 223 Ų | 223 | 82.6 Ų | 82.6 | 84% | 0.842 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 11.1 | 175.5 | -67.3 | -177.6 | 171.4 | -173.5 | -3.4 | 115 | F713 A714 | R711-F713 PolarHBondContact O-N 3.49Å; R711-A714 PolarHBondContact O-N 2.85Å |
| 712 | I | 44.2 | Very low | 48.4 | Very low | 91 Ų | 91 | 83.7 Ų | 83.7 | 47% | 0.467 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -40 | -160.1 | -61 | -178.7 | 0 | 0 | 0 | 112.1 | E710 | E710-I712 HydrophobicContact CB-CD1 4.24Å; E710-I712 HydrophobicContact CB-CG1 4.19Å; E710-I712 HydrophobicContact CG-CD1 4.29Å; E710-I712 PolarHBondContact O-N 2.96Å |
| 713 | F | 45 | Very low | 48.7 | Very low | 71 Ų | 71 | 86.4 Ų | 86.4 | 31% | 0.311 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -33.8 | -178.8 | -72 | -82.1 | 0 | 0 | 0 | 114.2 | E630 V633 R711 A715 | E630-F713 HydrophobicContact CG-CZ 4.28Å; V633-F713 HydrophobicContact CB-CE1 4.42Å; V633-F713 HydrophobicContact CB-CZ 4.45Å; V633-F713 HydrophobicContact CG1-CD1 4.28Å; V633-F713 HydrophobicContact CG1-CE1 3.84Å; V633-F713 HydrophobicContact CG1-CZ 4.35Å; V633-F713 HydrophobicContact CG2-CE1 4.46Å; V633-F713 HydrophobicContact CG2-CZ 4.3Å; R711-F713 PolarHBondContact O-N 3.49Å; F713-A715 PolarHBondContact O-N 2.99Å |
| 714 | A | 42.1 | Very low | 49.5 | Very low | 33 Ų | 33 | 87.6 Ų | 87.6 | 27% | 0.273 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.7 | -23.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R711 T718 | R711-A714 PolarHBondContact O-N 2.85Å; A714-T718 PolarHBondContact O-N 2.81Å; A714-T718 PolarHBondContact O-OG1 3.49Å |
| 715 | A | 35.6 | Very low | 50.2 | Low | 66 Ų | 66 | 88.1 Ų | 88.1 | 55% | 0.545 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -70.2 | -37.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | F713 | F713-A715 PolarHBondContact O-N 2.99Å |
| 716 | N | 37.4 | Very low | 50.4 | Low | 149 Ų | 149 | 89.5 Ų | 89.5 | 80% | 0.797 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -80.2 | -36.8 | -176.5 | -78.4 | -5.6 | 0 | 0 | 0 | 112.7 | ||
| 717 | A | 39.4 | Very low | 51.2 | Low | 34 Ų | 34 | 88.8 Ų | 88.8 | 28% | 0.281 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T676 G719 | T676-A717 HydrophobicContact CG2-CB 3.51Å; T676-A717 VanDerWaalsContact OG1-CB 3.25Å; T676-A717 WeakPolarHBondContact OG1-CB 3.24Å; A717-G719 VanDerWaalsContact C-N 3.28Å; A717-G719 PolarHBondContact O-N 2.82Å; A717-G719 VanDerWaalsContact O-N 3.09Å |
| 718 | T | 44.2 | Very low | 51.9 | Low | 36 Ų | 36 | 94.4 Ų | 94.4 | 22% | 0.221 | 48% | 0.484 | C | S | . | . | S | Bend | trans | -90.1 | 63.4 | 179.1 | 68.5 | 0 | 0 | 0 | 0 | 111.8 | A714 N720 L883 | A714-T718 PolarHBondContact O-N 2.81Å; A714-T718 PolarHBondContact O-OG1 3.49Å; T718-N720 PolarHBondContact O-N 2.67Å; T718-N720 VanDerWaalsContact O-N 3.12Å; T718-L883 HydrophobicContact CG2-CD1 4.12Å |
| 719 | G | 39.5 | Very low | 52.9 | Low | 38 Ų | 38 | 97.6 Ų | 97.6 | 39% | 0.392 | 49% | 0.489 | S | S | . | . | trans | -47.1 | 115.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A717 N721 N722 | A717-G719 VanDerWaalsContact C-N 3.28Å; A717-G719 PolarHBondContact O-N 2.82Å; A717-G719 VanDerWaalsContact O-N 3.09Å; G719-N721 PolarHBondContact O-N 3.32Å; G719-N722 PolarHBondContact O-N 2.94Å | ||
| 720 | N | 45.9 | Very low | 54.7 | Low | 118 Ų | 118 | 95.3 Ų | 95.3 | 63% | 0.631 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | 14.2 | -162.6 | -139.5 | 17.1 | 0 | 0 | 0 | 115.2 | T718 | T718-N720 PolarHBondContact O-N 2.67Å; T718-N720 VanDerWaalsContact O-N 3.12Å |
| 721 | N | 48 | Very low | 56.8 | Low | 159 Ų | 159 | 92.8 Ų | 92.8 | 85% | 0.85 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.3 | 7.8 | -171.8 | -88.9 | -27.9 | 0 | 0 | 0 | 113.9 | G719 R723 | G719-N721 PolarHBondContact O-N 3.32Å; N721-R723 PolarHBondContact O-N 3.42Å |
| 722 | N | 59.7 | Low | 58.8 | Low | 64 Ų | 64 | 86.3 Ų | 86.3 | 34% | 0.342 | 45% | 0.454 | S | S | . | . | trans | -63.6 | 113.1 | 176.1 | -88.5 | -7.2 | 0 | 0 | 0 | 110.8 | G719 C724 N725 | G719-N722 PolarHBondContact O-N 2.94Å; N722-C724 PolarHBondContact O-N 3Å; N722-N725 PolarHBondContact O-N 2.8Å | ||
| 723 | R | 67.9 | Low | 60.8 | Low | 197 Ų | 197 | 87.4 Ų | 87.4 | 74% | 0.743 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -31.6 | -169.6 | 176.8 | 177 | 170.2 | 173.6 | -3.3 | 114.7 | N721 R726 | N721-R723 PolarHBondContact O-N 3.42Å; R723-R726 PolarHBondContact O-NE 2.89Å; R723-R726 VanDerWaalsContact O-NE 3.12Å |
| 724 | C | 74.9 | Confident | 62.8 | Low | 24 Ų | 24 | 88.9 Ų | 88.9 | 16% | 0.162 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -13.7 | -175 | -53.3 | 0 | 0 | 0 | 0 | 114.6 | E669 N722 N907 D908 C909 | E669-C724 WeakPolarHBondContact OE1-CB 3.44Å; N722-C724 PolarHBondContact O-N 3Å; C724-N907 WeakPolarHBondContact O-CB 3.28Å; C724-D908 WeakPolarHBondContact O-CB 3.22Å; C724-D908 PolarHBondContact O-N 3.1Å; C724-C909 WeakPolarHBondContact CA-SG 3.27Å; C724-C909 HydrophobicContact CB-CB 3.63Å; C724-C909 WeakPolarHBondContact CB-SG 3.25Å; C724-C909 WeakPolarHBondContact SG-CB 3.49Å; C724-C909 CovalentContact SG-SG 2.03Å; C724-C909 PolarHBondContact SG-SG 2.83Å |
| 725 | N | 72.7 | Confident | 65.1 | Low | 24 Ų | 24 | 88.7 Ų | 88.7 | 13% | 0.128 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -132.3 | 63.3 | -172.5 | -90.2 | -28.9 | 0 | 0 | 0 | 110 | N722 K727 T741 F756 N907 | N722-N725 PolarHBondContact O-N 2.8Å; N725-K727 PolarHBondContact O-N 2.88Å; N725-T741 VanDerWaalsContact OD1-CG2 3.26Å; N725-T741 WeakPolarHBondContact OD1-CG2 3.28Å; N725-F756 WeakPolarHBondContact OD1-CE2 3.37Å; N725-N907 WeakPolarHBondContact OD1-CB 3.39Å |
| 726 | R | 66.6 | Low | 67.8 | Low | 147 Ų | 147 | 87.6 Ų | 87.6 | 56% | 0.555 | 46% | 0.459 | S | S | * | . | trans | -74.3 | 96.9 | -168.6 | -64.7 | 171.9 | -177.4 | -150.8 | 0.2 | 113.2 | R723 L728 D908 | R723-R726 PolarHBondContact O-NE 2.89Å; R723-R726 VanDerWaalsContact O-NE 3.12Å; R726-L728 HydrophobicContact CB-CG 4.48Å; R726-L728 PolarHBondContact O-N 3.07Å; R726-D908 WeakPolarHBondContact CB-OD2 3.39Å; R726-D908 WeakPolarHBondContact CD-OD2 3.46Å; R726-D908 VanDerWaalsContact CG-OD2 3.25Å; R726-D908 WeakPolarHBondContact CG-OD2 3.29Å; R726-D908 PolarHBondContact N-OD2 2.67Å; R726-D908 VanDerWaalsContact N-OD2 3.14Å | ||
| 727 | K | 75.7 | Confident | 70.6 | Confident | 46 Ų | 46 | 82.6 Ų | 82.6 | 20% | 0.2 | 43% | 0.43 | C | S | . | . | trans | -78.3 | 63.8 | 172.3 | -63.3 | -176.7 | -174.4 | 179.3 | 0 | 112.1 | N725 Y729 W743 | N725-K727 PolarHBondContact O-N 2.88Å; K727-Y729 PolarHBondContact O-N 3.2Å; K727-W743 HydrophobicContact CB-CD2 4.36Å; K727-W743 HydrophobicContact CB-CZ2 4.03Å; K727-W743 HydrophobicContact CD-CH2 4.48Å; K727-W743 HydrophobicContact CD-CZ3 4.47Å; K727-W743 HydrophobicContact CG-CD2 4.27Å; K727-W743 HydrophobicContact CG-CE3 4.48Å | ||
| 728 | L | 69.7 | Low | 73.2 | Confident | 131 Ų | 131 | 82.7 Ų | 82.7 | 69% | 0.686 | 42% | 0.423 | S | S | * | . | trans | -58 | 125.9 | 176.3 | -65.4 | 176.3 | 0 | 0 | 0 | 110.3 | R726 W743 | R726-L728 HydrophobicContact CB-CG 4.48Å; R726-L728 PolarHBondContact O-N 3.07Å; L728-W743 PolarHBondContact O-NE1 3.37Å | ||
| 729 | Y | 71.5 | Confident | 75.6 | Confident | 174 Ų | 174 | 83.4 Ų | 83.4 | 68% | 0.682 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -141.9 | 138.5 | 179.9 | -167.6 | -93.1 | 0 | 0 | 0 | 109.9 | K727 W743 | K727-Y729 PolarHBondContact O-N 3.2Å; Y729-W743 HydrophobicContact CD2-CZ2 4.37Å |
| 730 | P | 80.7 | Confident | 78.2 | Confident | 106 Ų | 106 | 82.2 Ų | 82.2 | 69% | 0.688 | 41% | 0.412 | S | S | * | . | S | Bend | cis | -62.7 | 156.7 | -1.2 | 28.9 | -36.7 | 0 | 0 | 0 | 113 | D732 | P730-D732 PolarHBondContact O-N 3.29Š|
| 731 | C | 86.6 | Confident | 80.4 | Confident | 18 Ų | 18 | 76.8 Ų | 76.8 | 12% | 0.122 | 38% | 0.383 | C | S | . | . | trans | -62.6 | 130.1 | 175.4 | -68.2 | 0 | 0 | 0 | 0 | 110.9 | L733 C744 L747 P750 | C731-L733 PolarHBondContact O-N 3.3Å; C731-L733 VanDerWaalsContact O-N 3.09Å; C731-C744 WeakPolarHBondContact CA-SG 3.03Å; C731-C744 HydrophobicContact CB-CB 3.64Å; C731-C744 WeakPolarHBondContact CB-SG 3.46Å; C731-C744 WeakPolarHBondContact SG-CB 3.43Å; C731-C744 CovalentContact SG-SG 2.03Å; C731-C744 PolarHBondContact SG-SG 3.35Å; C731-L747 HydrophobicContact CB-CD2 4.06Å; C731-P750 VanDerWaalsContact SG-CG 3.5Å | ||
| 732 | D | 87 | Confident | 82.6 | Confident | 87 Ų | 87 | 69.3 Ų | 69.3 | 47% | 0.465 | 34% | 0.343 | S | S | . | . | trans | -69.3 | 107.6 | 170.2 | 179.8 | 11.4 | 0 | 0 | 0 | 110.2 | P730 T734 S735 | P730-D732 PolarHBondContact O-N 3.29Å; D732-T734 PolarHBondContact O-N 3.09Å; D732-T734 WeakPolarHBondContact OD1-CA 3.16Å; D732-T734 WeakPolarHBondContact OD1-CB 3.47Å; D732-T734 PolarHBondContact OD1-N 2.98Å; D732-T734 PolarHBondContact OD1-OG1 2.79Å; D732-S735 PolarHBondContact OD1-N 3.3Å; D732-S735 WeakPolarHBondContact OD2-CB 3.36Å; D732-S735 PolarHBondContact OD2-N 3.49Å | ||
| 733 | L | 87 | Confident | 84.1 | Confident | 113 Ų | 113 | 67.9 Ų | 67.9 | 59% | 0.592 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -67.3 | -26.2 | 176.6 | -57.2 | 175 | 0 | 0 | 0 | 112.1 | C731 L747 | C731-L733 PolarHBondContact O-N 3.3Å; C731-L733 VanDerWaalsContact O-N 3.09Å; L733-L747 HydrophobicContact CD2-CD1 3.79Å; L733-L747 HydrophobicContact CD2-CD2 3.99Å; L733-L747 HydrophobicContact CD2-CG 4.31Å |
| 734 | T | 87.5 | Confident | 85.3 | Confident | 102 Ų | 102 | 59 Ų | 59 | 63% | 0.626 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -91.5 | -12.6 | -172.9 | 70.5 | 0 | 0 | 0 | 0 | 113.8 | D732 P736 | D732-T734 PolarHBondContact O-N 3.09Å; D732-T734 WeakPolarHBondContact OD1-CA 3.16Å; D732-T734 WeakPolarHBondContact OD1-CB 3.47Å; D732-T734 PolarHBondContact OD1-N 2.98Å; D732-T734 PolarHBondContact OD1-OG1 2.79Å; T734-P736 WeakPolarHBondContact O-CD 3.43Å |
| 735 | S | 90.4 | Very high | 86.2 | Confident | 29 Ų | 29 | 58 Ų | 58 | 20% | 0.203 | 29% | 0.294 | C | S | . | . | trans | -61.2 | 123.2 | -178.4 | 177.3 | 0 | 0 | 0 | 0 | 112.3 | D732 Y737 | D732-S735 PolarHBondContact OD1-N 3.3Å; D732-S735 WeakPolarHBondContact OD2-CB 3.36Å; D732-S735 PolarHBondContact OD2-N 3.49Å; S735-Y737 PolarHBondContact O-N 3.45Å; S735-Y737 PolarHBondContact OG-N 2.88Å; S735-Y737 PolarHBondContact OG-O 3.19Å | ||
| 736 | P | 92.4 | Very high | 87.2 | Confident | 43 Ų | 43 | 56.8 Ų | 56.8 | 28% | 0.279 | 29% | 0.288 | S | S | . | . | trans | -80.9 | 0.9 | 178.4 | 34.7 | -37.3 | 0 | 0 | 0 | 113.5 | T734 K1001 E1245 | T734-P736 WeakPolarHBondContact O-CD 3.43Å; P736-K1001 PolarHBondContact O-NZ 2.98Å; P736-E1245 WeakPolarHBondContact CA-O 3.37Å; P736-E1245 VanDerWaalsContact CB-O 3.29Å; P736-E1245 WeakPolarHBondContact CB-O 3.49Å | ||
| 737 | Y | 95.1 | Very high | 88.4 | Confident | 44 Ų | 44 | 52.6 Ų | 52.6 | 17% | 0.173 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -126.5 | 150.5 | -172.2 | -51.8 | -53.4 | 0 | 0 | 0 | 112.9 | S735 K994 Q997 E998 K1001 F1237 | S735-Y737 PolarHBondContact O-N 3.45Å; S735-Y737 PolarHBondContact OG-N 2.88Å; S735-Y737 PolarHBondContact OG-O 3.19Å; Y737-K994 WeakPolarHBondContact OH-CD 3.3Å; Y737-K994 PolarHBondContact OH-NZ 2.87Å; Y737-Q997 HydrophobicContact CD1-CB 3.82Å; Y737-Q997 HydrophobicContact CD2-CB 3.85Å; Y737-Q997 HydrophobicContact CD2-CG 4.1Å; Y737-Q997 HydrophobicContact CE1-CB 3.82Å; Y737-Q997 HydrophobicContact CE2-CB 3.83Å; Y737-Q997 HydrophobicContact CE2-CG 4.34Å; Y737-Q997 HydrophobicContact CG-CB 3.87Å; Y737-Q997 HydrophobicContact CG-CG 4.33Å; Y737-E998 HydrophobicContact CE1-CG 4.42Å; Y737-E998 PolarHBondContact OH-OE1 2.85Å; Y737-K1001 HydrophobicContact CD1-CD 4.11Å; Y737-K1001 HydrophobicContact CE1-CD 4.17Å; Y737-F1237 VanDerWaalsContact C-CZ 3.49Å; Y737-F1237 WeakPolarHBondContact O-CZ 3.08Å |
| 738 | R | 94.9 | Very high | 89 | Confident | 36 Ų | 36 | 55.8 Ų | 55.8 | 14% | 0.136 | 29% | 0.29 | C | S | . | . | trans | -68.6 | 142.2 | 169.2 | -60.7 | 172.7 | -178 | -89 | -8.2 | 110.1 | N745 D899 R1000 Q1008 D1235 F1237 | R738-N745 PolarHBondContact NH1-ND2 2.59Å; R738-D899 VanDerWaalsContact CD-CB 3.43Å; R738-D899 WeakPolarHBondContact CD-OD2 3.48Å; R738-D899 IonicContact CZ-OD2 3.49Å; R738-D899 IonicContact NE-OD2 2.69Å; R738-D899 IonicContact NH1-OD2 3.73Å; R738-D899 PolarHBondContact NH1-OD2 3.28Å; R738-D899 VanDerWaalsContact NH1-OD2 3.14Å; R738-R1000 PolarHBondContact O-NH1 2.93Å; R738-Q1008 VanDerWaalsContact NH2-NE2 3.14Å; R738-D1235 IonicContact CZ-OD1 2.62Å; R738-D1235 IonicContact CZ-OD2 2.97Å; R738-D1235 IonicContact NH1-OD1 2.7Å; R738-D1235 PolarHBondContact NH1-OD1 2.71Å; R738-D1235 IonicContact NH1-OD2 3.63Å; R738-D1235 VanDerWaalsContact NH2-CG 3.34Å; R738-D1235 IonicContact NH2-OD1 2.76Å; R738-D1235 PolarHBondContact NH2-OD1 2.85Å; R738-D1235 IonicContact NH2-OD2 2.7Å; R738-D1235 PolarHBondContact NH2-OD2 2.97Å; R738-F1237 HydrophobicContact CG-CB 3.85Å; R738-F1237 HydrophobicContact CG-CD1 4.08Å; R738-F1237 HydrophobicContact CG-CD2 3.75Å; R738-F1237 HydrophobicContact CG-CE2 4.25Å; R738-F1237 HydrophobicContact CG-CG 3.64Å; R738-F1237 PolarHBondContact NH2-O 3.37Å | ||
| 739 | T | 94.4 | Very high | 90 | Very high | 51 Ų | 51 | 53.1 Ų | 53.1 | 31% | 0.313 | 28% | 0.276 | S | S | . | . | trans | -58.4 | 166.1 | 157.3 | 50.5 | 0 | 0 | 0 | 0 | 110.4 | G742 W743 R1000 | T739-G742 VanDerWaalsContact OG1-C 3.31Å; T739-G742 WeakPolarHBondContact OG1-CA 3.04Å; T739-G742 PolarHBondContact OG1-N 3.45Å; T739-W743 VanDerWaalsContact CG2-O 3.24Å; T739-W743 WeakPolarHBondContact CG2-O 3.25Å; T739-W743 PolarHBondContact OG1-N 2.82Å; T739-W743 VanDerWaalsContact OG1-N 3.11Å; T739-W743 PolarHBondContact OG1-O 3.2Å; T739-R1000 PolarHBondContact O-NH2 2.7Å | ||
| 740 | I | 94.4 | Very high | 90.9 | Very high | 14 Ų | 14 | 45.7 Ų | 45.7 | 7% | 0.072 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -75.5 | -36.3 | 172.4 | -54.8 | -62 | 0 | 0 | 0 | 110.8 | G742 G905 N907 D908 A911 | I740-G742 VanDerWaalsContact C-N 3.35Å; I740-G742 PolarHBondContact O-N 3.28Å; I740-G905 VanDerWaalsContact CG2-O 3.26Å; I740-G905 WeakPolarHBondContact CG2-O 3.38Å; I740-N907 VanDerWaalsContact CG2-C 3.45Å; I740-N907 WeakPolarHBondContact CG2-O 3.43Å; I740-D908 WeakPolarHBondContact CG1-OD1 3.29Å; I740-A911 HydrophobicContact CB-CB 4.48Å; I740-A911 HydrophobicContact CD1-CB 3.8Å; I740-A911 HydrophobicContact CG1-CB 3.91Å; I740-A911 HydrophobicContact CG2-CB 3.77Å |
| 741 | T | 91.8 | Very high | 91.2 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 3% | 0.025 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -82.3 | -3.4 | -176.6 | 57.6 | 0 | 0 | 0 | 0 | 115 | N725 W743 M754 A755 T895 | N725-T741 VanDerWaalsContact OD1-CG2 3.26Å; N725-T741 WeakPolarHBondContact OD1-CG2 3.28Å; T741-W743 PolarHBondContact O-N 3.47Å; T741-W743 WeakPolarHBondContact OG1-CB 3.44Å; T741-M754 CarbonylContact O-C 3.56Å; T741-M754 WeakPolarHBondContact O-CA 3.39Å; T741-M754 WeakPolarHBondContact O-CG 3.36Å; T741-A755 PolarHBondContact O-N 3.36Å; T741-T895 VanDerWaalsContact C-CG2 3.48Å |
| 742 | G | 93.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | trans | 76.6 | -7.2 | -172 | 0 | 0 | 0 | 0 | 0 | 115 | T739 I740 N745 | T739-G742 VanDerWaalsContact OG1-C 3.31Å; T739-G742 WeakPolarHBondContact OG1-CA 3.04Å; T739-G742 PolarHBondContact OG1-N 3.45Å; I740-G742 VanDerWaalsContact C-N 3.35Å; I740-G742 PolarHBondContact O-N 3.28Å; G742-N745 WeakPolarHBondContact O-CB 3.41Å; G742-N745 PolarHBondContact O-N 2.83Å | ||
| 743 | W | 91.4 | Very high | 91.7 | Very high | 34 Ų | 34 | 39.7 Ų | 39.7 | 13% | 0.129 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 142.5 | 175.5 | 179.1 | -108.2 | 0 | 0 | 0 | 112.2 | K727 L728 Y729 T739 T741 N745 P750 M754 | K727-W743 HydrophobicContact CB-CD2 4.36Å; K727-W743 HydrophobicContact CB-CZ2 4.03Å; K727-W743 HydrophobicContact CD-CH2 4.48Å; K727-W743 HydrophobicContact CD-CZ3 4.47Å; K727-W743 HydrophobicContact CG-CD2 4.27Å; K727-W743 HydrophobicContact CG-CE3 4.48Å; L728-W743 PolarHBondContact O-NE1 3.37Å; Y729-W743 HydrophobicContact CD2-CZ2 4.37Å; T739-W743 VanDerWaalsContact CG2-O 3.24Å; T739-W743 WeakPolarHBondContact CG2-O 3.25Å; T739-W743 PolarHBondContact OG1-N 2.82Å; T739-W743 VanDerWaalsContact OG1-N 3.11Å; T739-W743 PolarHBondContact OG1-O 3.2Å; T741-W743 PolarHBondContact O-N 3.47Å; T741-W743 WeakPolarHBondContact OG1-CB 3.44Å; W743-N745 PolarHBondContact O-N 3.16Å; W743-P750 WeakPolarHBondContact CA-O 3.11Å; W743-P750 HydrophobicContact CD2-CB 3.94Å; W743-P750 VanDerWaalsContact CE3-C 3.47Å; W743-P750 HydrophobicContact CE3-CB 3.81Å; W743-P750 HydrophobicContact CH2-CB 3.79Å; W743-P750 HydrophobicContact CZ2-CB 3.87Å; W743-P750 HydrophobicContact CZ3-CB 3.75Å; W743-M754 HydrophobicContact CB-CG 4.22Å; W743-M754 HydrophobicContact CB-SD 4.19Å; W743-M754 HydrophobicContact CD2-SD 4.25Å; W743-M754 HydrophobicContact CE3-SD 3.47Å; W743-M754 HydrophobicContact CZ3-SD 4.19Å |
| 744 | C | 92.8 | Very high | 92 | Very high | 10 Ų | 10 | 35 Ų | 35 | 7% | 0.068 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 21.3 | -176.8 | -64.9 | 0 | 0 | 0 | 0 | 115.3 | C731 P750 R1236 | C731-C744 WeakPolarHBondContact CA-SG 3.03Å; C731-C744 HydrophobicContact CB-CB 3.64Å; C731-C744 WeakPolarHBondContact CB-SG 3.46Å; C731-C744 WeakPolarHBondContact SG-CB 3.43Å; C731-C744 CovalentContact SG-SG 2.03Å; C731-C744 PolarHBondContact SG-SG 3.35Å; C744-P750 PolarHBondContact N-O 2.84Å; C744-P750 VanDerWaalsContact N-O 3.1Å; C744-R1236 PolarHBondContact O-NH2 3.37Å |
| 745 | N | 94.2 | Very high | 92.1 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -67 | -64.6 | 166 | -171.4 | -30.1 | 0 | 0 | 0 | 109.7 | R738 G742 W743 L747 Y897 D1235 R1236 | R738-N745 PolarHBondContact NH1-ND2 2.59Å; G742-N745 WeakPolarHBondContact O-CB 3.41Å; G742-N745 PolarHBondContact O-N 2.83Å; W743-N745 PolarHBondContact O-N 3.16Å; N745-L747 PolarHBondContact O-N 3.11Å; N745-Y897 HydrophobicContact CB-CD2 4.46Å; N745-Y897 HydrophobicContact CB-CE1 4.49Å; N745-Y897 HydrophobicContact CB-CE2 3.59Å; N745-Y897 WeakPolarHBondContact CB-OH 3.33Å; N745-Y897 WeakPolarHBondContact ND2-CD2 3.49Å; N745-Y897 VanDerWaalsContact ND2-CE1 3.29Å; N745-Y897 WeakPolarHBondContact ND2-CE1 3.45Å; N745-Y897 VanDerWaalsContact ND2-CE2 3.25Å; N745-Y897 WeakPolarHBondContact ND2-CE2 3.25Å; N745-D1235 PolarHBondContact ND2-OD1 3.37Å; N745-R1236 WeakPolarHBondContact O-CB 3.38Å; N745-R1236 WeakPolarHBondContact O-CD 3.35Å; N745-R1236 PolarHBondContact O-NE 3.31Å; N745-R1236 WeakPolarHBondContact OD1-CB 3.49Å; N745-R1236 PolarHBondContact OD1-N 3.23Å |
| 746 | N | 93.3 | Very high | 92 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -72 | 124.2 | 163.5 | -175 | -50.2 | 0 | 0 | 0 | 109.5 | K748 N749 P750 N752 Q1043 C1045 | N746-K748 PolarHBondContact OD1-N 2.8Å; N746-N749 CarbonylContact O-C 3.54Å; N746-N749 PolarHBondContact OD1-N 3.42Å; N746-P750 VanDerWaalsContact O-CA 3.29Å; N746-P750 WeakPolarHBondContact O-CA 3.48Å; N746-N752 HydrophobicContact CB-CB 4.25Å; N746-Q1043 PolarHBondContact ND2-O 3.33Å; N746-Q1043 PolarHBondContact OD1-O 2.89Å; N746-C1045 PolarHBondContact ND2-O 3.11Å; N746-C1045 VanDerWaalsContact ND2-O 3.11Å |
| 747 | L | 91 | Very high | 91.7 | Very high | 59 Ų | 59 | 27.9 Ų | 27.9 | 31% | 0.309 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -84.7 | -15.6 | -173.7 | -65.5 | 172.7 | 0 | 0 | 0 | 114.4 | C731 L733 N745 | C731-L747 HydrophobicContact CB-CD2 4.06Å; L733-L747 HydrophobicContact CD2-CD1 3.79Å; L733-L747 HydrophobicContact CD2-CD2 3.99Å; L733-L747 HydrophobicContact CD2-CG 4.31Å; N745-L747 PolarHBondContact O-N 3.11Å |
| 748 | K | 89.4 | Confident | 91.5 | Very high | 113 Ų | 113 | 27.8 Ų | 27.8 | 49% | 0.491 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -92.2 | -35.8 | 176 | -76.1 | 179.7 | 167.2 | 171.5 | 0 | 112.2 | N746 L1044 | N746-K748 PolarHBondContact OD1-N 2.8Å; K748-L1044 HydrophobicContact CD-CD2 3.89Å |
| 749 | N | 89.7 | Confident | 91.5 | Very high | 75 Ų | 75 | 26.5 Ų | 26.5 | 40% | 0.401 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -127.3 | 81.2 | 177.5 | -61.5 | -61 | 0 | 0 | 0 | 109.3 | N746 S751 N752 | N746-N749 CarbonylContact O-C 3.54Å; N746-N749 PolarHBondContact OD1-N 3.42Å; N749-S751 PolarHBondContact O-N 2.88Å; N749-N752 WeakPolarHBondContact CB-OD1 2.99Å; N749-N752 PolarHBondContact O-N 3.27Å |
| 750 | P | 90.5 | Very high | 91.5 | Very high | 18 Ų | 18 | 25.8 Ų | 25.8 | 12% | 0.117 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -15.9 | -170.1 | -28.6 | 38.5 | 0 | 0 | 0 | 116.4 | C731 W743 C744 N746 | C731-P750 VanDerWaalsContact SG-CG 3.5Å; W743-P750 WeakPolarHBondContact CA-O 3.11Å; W743-P750 HydrophobicContact CD2-CB 3.94Å; W743-P750 VanDerWaalsContact CE3-C 3.47Å; W743-P750 HydrophobicContact CE3-CB 3.81Å; W743-P750 HydrophobicContact CH2-CB 3.79Å; W743-P750 HydrophobicContact CZ2-CB 3.87Å; W743-P750 HydrophobicContact CZ3-CB 3.75Å; C744-P750 PolarHBondContact N-O 2.84Å; C744-P750 VanDerWaalsContact N-O 3.1Å; N746-P750 VanDerWaalsContact O-CA 3.29Å; N746-P750 WeakPolarHBondContact O-CA 3.48Å |
| 751 | S | 87.9 | Confident | 91.5 | Very high | 57 Ų | 57 | 27.1 Ų | 27.1 | 40% | 0.399 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -18.7 | 176.4 | 49.1 | 0 | 0 | 0 | 0 | 114.9 | N749 G753 M754 | N749-S751 PolarHBondContact O-N 2.88Å; S751-G753 PolarHBondContact O-N 3.24Å; S751-M754 VanDerWaalsContact O-CB 3.22Å; S751-M754 WeakPolarHBondContact O-CB 3.49Å; S751-M754 PolarHBondContact O-N 3.28Å; S751-M754 VanDerWaalsContact O-N 3.09Å |
| 752 | N | 92.5 | Very high | 91.7 | Very high | 28 Ų | 28 | 28.9 Ų | 28.9 | 15% | 0.15 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 124.9 | -176.1 | -70.5 | 12.7 | 0 | 0 | 0 | 109.8 | N746 N749 M754 Y897 | N746-N752 HydrophobicContact CB-CB 4.25Å; N749-N752 WeakPolarHBondContact CB-OD1 2.99Å; N749-N752 PolarHBondContact O-N 3.27Å; N752-M754 PolarHBondContact O-N 3.46Å; N752-Y897 PolarHBondContact O-OH 3.11Å; N752-Y897 VanDerWaalsContact O-OH 3.09Å |
| 753 | G | 92.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 6.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | S751 S896 T1048 | S751-G753 PolarHBondContact O-N 3.24Å; G753-S896 PolarHBondContact O-N 2.98Å; G753-T1048 PolarHBondContact N-OG1 2.72Å |
| 754 | M | 91.9 | Very high | 91.9 | Very high | 15 Ų | 15 | 35 Ų | 35 | 7% | 0.074 | 18% | 0.178 | C | C | . | . | trans | -69.1 | 146.1 | 176.5 | -172.6 | -167.3 | 70.7 | 0 | 0 | 111.4 | T741 W743 S751 N752 S757 | T741-M754 CarbonylContact O-C 3.56Å; T741-M754 WeakPolarHBondContact O-CA 3.39Å; T741-M754 WeakPolarHBondContact O-CG 3.36Å; W743-M754 HydrophobicContact CB-CG 4.22Å; W743-M754 HydrophobicContact CB-SD 4.19Å; W743-M754 HydrophobicContact CD2-SD 4.25Å; W743-M754 HydrophobicContact CE3-SD 3.47Å; W743-M754 HydrophobicContact CZ3-SD 4.19Å; S751-M754 VanDerWaalsContact O-CB 3.22Å; S751-M754 WeakPolarHBondContact O-CB 3.49Å; S751-M754 PolarHBondContact O-N 3.28Å; S751-M754 VanDerWaalsContact O-N 3.09Å; N752-M754 PolarHBondContact O-N 3.46Å; M754-S757 WeakPolarHBondContact O-CB 3.31Å; M754-S757 PolarHBondContact O-OG 2.03Å | ||
| 755 | A | 90.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.008 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -60.3 | 152.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T741 L894 T895 | T741-A755 PolarHBondContact O-N 3.36Å; A755-L894 WeakPolarHBondContact CA-O 3.36Å; A755-T895 HydrophobicContact CB-CG2 4.3Å |
| 756 | F | 87.1 | Confident | 91.8 | Very high | 10 Ų | 10 | 36.8 Ų | 36.8 | 4% | 0.044 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 57.9 | 49.2 | -175.3 | -43.3 | -83.9 | 0 | 0 | 0 | 112.4 | K667 E670 I673 N725 N892 Q893 N907 | K667-F756 HydrophobicContact CD-CE1 4.48Å; K667-F756 HydrophobicContact CD-CZ 4.28Å; E670-F756 HydrophobicContact CG-CD1 3.73Å; E670-F756 HydrophobicContact CG-CE1 3.73Å; I673-F756 HydrophobicContact CD1-CB 3.8Å; N725-F756 WeakPolarHBondContact OD1-CE2 3.37Å; F756-N892 VanDerWaalsContact CA-O 3.23Å; F756-N892 WeakPolarHBondContact CA-O 3.29Å; F756-N892 PolarHBondContact N-O 3.18Å; F756-Q893 HydrophobicContact CD1-CB 4.1Å; F756-Q893 HydrophobicContact CE1-CB 3.94Å; F756-N907 HydrophobicContact CE2-CB 4.03Å; F756-N907 HydrophobicContact CZ-CB 4.38Å |
| 757 | S | 86.6 | Confident | 91.8 | Very high | 13 Ų | 13 | 37.5 Ų | 37.5 | 9% | 0.091 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 158.5 | 174.8 | 68.1 | 0 | 0 | 0 | 0 | 111.6 | M754 N892 | M754-S757 WeakPolarHBondContact O-CB 3.31Å; M754-S757 PolarHBondContact O-OG 2.03Å; S757-N892 PolarHBondContact N-O 2.96Å; S757-N892 PolarHBondContact O-N 3.37Å |
| 758 | P | 91.2 | Very high | 91.7 | Very high | 42 Ų | 42 | 37.3 Ų | 37.3 | 27% | 0.273 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 147.7 | 173 | -25.6 | 35.7 | 0 | 0 | 0 | 113.1 | G881 E889 Q890 T1048 | P758-G881 VanDerWaalsContact CG-O 3.23Å; P758-G881 WeakPolarHBondContact CG-O 3.45Å; P758-E889 HydrophobicContact CB-CB 4.32Å; P758-Q890 WeakPolarHBondContact CA-O 3.5Å; P758-T1048 WeakPolarHBondContact O-CG2 3.43Å |
| 759 | F | 95.1 | Very high | 91.5 | Very high | 8 Ų | 8 | 35.6 Ų | 35.6 | 4% | 0.035 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 145.5 | 161.8 | -62.5 | -79.2 | 0 | 0 | 0 | 110.7 | T823 Q890 L891 N892 I1049 N1051 A1054 | F759-T823 HydrophobicContact CE2-CG2 4.35Å; F759-T823 VanDerWaalsContact CE2-OG1 3.3Å; F759-T823 WeakPolarHBondContact CE2-OG1 3.34Å; F759-T823 WeakPolarHBondContact CZ-OG1 3.39Å; F759-Q890 HydrophobicContact CD2-CB 4.2Å; F759-Q890 VanDerWaalsContact CD2-O 3.28Å; F759-Q890 WeakPolarHBondContact CD2-O 3.08Å; F759-Q890 HydrophobicContact CE2-CB 4.4Å; F759-Q890 PolarHBondContact N-O 3.41Å; F759-L891 VanDerWaalsContact CE2-O 3.32Å; F759-L891 WeakPolarHBondContact CE2-O 3.46Å; F759-N892 HydrophobicContact CD1-CB 4.08Å; F759-N892 HydrophobicContact CE1-CB 3.59Å; F759-N892 HydrophobicContact CE2-CB 4.08Å; F759-N892 HydrophobicContact CZ-CB 3.58Å; F759-I1049 WeakPolarHBondContact CA-O 3.44Å; F759-I1049 WeakPolarHBondContact CB-O 3.43Å; F759-I1049 HydrophobicContact CD1-CB 3.97Å; F759-I1049 HydrophobicContact CD1-CG2 3.89Å; F759-I1049 HydrophobicContact CE1-CB 4.21Å; F759-I1049 HydrophobicContact CE1-CG2 3.98Å; F759-N1051 HydrophobicContact CB-CB 3.71Å; F759-N1051 HydrophobicContact CG-CB 4.28Å; F759-A1054 HydrophobicContact CD1-CB 4.32Å; F759-A1054 HydrophobicContact CE1-CB 3.67Å; F759-A1054 HydrophobicContact CZ-CB 4.06Å |
| 760 | R | 94.5 | Very high | 91.1 | Very high | 36 Ų | 36 | 33.8 Ų | 33.8 | 14% | 0.136 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -73.1 | 170.7 | 161.5 | 70.4 | 172.9 | 177.6 | 113.8 | 6.1 | 109.6 | D1046 T1048 I1049 A1050 N1051 E1226 K1230 | R760-D1046 WeakPolarHBondContact CD-OD2 3.44Å; R760-T1048 VanDerWaalsContact CD-O 3.29Å; R760-T1048 WeakPolarHBondContact CD-O 3.41Å; R760-T1048 PolarHBondContact NE-O 3.42Å; R760-I1049 PolarHBondContact N-O 2.79Å; R760-A1050 HydrophobicContact CG-CB 4.23Å; R760-A1050 CarbonylContact O-C 3.52Å; R760-A1050 WeakPolarHBondContact O-CA 3.47Å; R760-N1051 PolarHBondContact O-N 3.35Å; R760-E1226 IonicContact CZ-OE1 2.99Å; R760-E1226 IonicContact CZ-OE2 3.24Å; R760-E1226 IonicContact NH1-OE1 3.94Å; R760-E1226 PolarHBondContact NH1-OE1 3.37Å; R760-E1226 IonicContact NH1-OE2 3.13Å; R760-E1226 PolarHBondContact NH1-OE2 2.89Å; R760-E1226 IonicContact NH2-OE1 3.19Å; R760-E1226 IonicContact NH2-OE2 3.43Å; R760-E1226 PolarHBondContact NH2-OE2 2.98Å; R760-K1230 VanDerWaalsContact NH1-CE 3.32Å |
| 761 | R | 94.6 | Very high | 90.7 | Very high | 42 Ų | 42 | 33.9 Ų | 33.9 | 16% | 0.158 | 19% | 0.189 | C | C | . | . | trans | -121.8 | 158.5 | 169.4 | -60.6 | -173.5 | 179 | -95.4 | -8.3 | 112.4 | L763 Y767 R888 E889 N1051 E1052 H1154 | R761-L763 WeakPolarHBondContact CB-O 3.41Å; R761-L763 WeakPolarHBondContact CD-O 3.22Å; R761-Y767 PolarHBondContact NH2-OH 2.95Å; R761-R888 PolarHBondContact NH2-O 3.24Å; R761-E889 IonicContact CZ-OE1 2.76Å; R761-E889 IonicContact CZ-OE2 2.71Å; R761-E889 IonicContact NE-OE1 3.42Å; R761-E889 PolarHBondContact NE-OE1 3Å; R761-E889 IonicContact NE-OE2 3.21Å; R761-E889 PolarHBondContact NE-OE2 3.48Å; R761-E889 IonicContact NH2-OE1 3.77Å; R761-E889 IonicContact NH2-OE2 3.8Å; R761-E889 PolarHBondContact NH2-OE2 3.32Å; R761-N1051 HydrophobicContact CG-CB 4.27Å; R761-N1051 PolarHBondContact NH2-ND2 3.07Å; R761-E1052 WeakPolarHBondContact CA-OE2 3.23Å; R761-H1154 PolarHBondContact NH1-O 3.01Å; R761-H1154 PolarHBondContact NH2-O 3.45Å | ||
| 762 | L | 96.4 | Very high | 90.8 | Very high | 41 Ų | 41 | 31.8 Ų | 31.8 | 22% | 0.215 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -91.5 | -32.8 | 167.8 | -57.7 | 174.6 | 0 | 0 | 0 | 111.6 | A1050 E1052 Y1162 L1165 I1223 | L762-A1050 HydrophobicContact CD1-CB 4.47Å; L762-A1050 HydrophobicContact CD2-CB 4.28Å; L762-A1050 HydrophobicContact CG-CB 4.03Å; L762-E1052 WeakPolarHBondContact CA-OE1 3.47Å; L762-E1052 HydrophobicContact CB-CG 4.48Å; L762-E1052 WeakPolarHBondContact CB-OE1 3.27Å; L762-E1052 HydrophobicContact CD1-CB 4.11Å; L762-E1052 HydrophobicContact CD1-CG 4.3Å; L762-E1052 HydrophobicContact CG-CG 4.5Å; L762-E1052 VanDerWaalsContact N-CD 3.3Å; L762-E1052 PolarHBondContact N-OE1 3.15Å; L762-E1052 PolarHBondContact N-OE2 3.45Å; L762-Y1162 HydrophobicContact CB-CE1 4.24Å; L762-L1165 HydrophobicContact CB-CD2 3.82Å; L762-L1165 HydrophobicContact CD1-CD2 4.42Å; L762-I1223 HydrophobicContact CD1-CG1 4.24Å; L762-I1223 HydrophobicContact CD1-CG2 4.1Å |
| 763 | L | 95.5 | Very high | 90.7 | Very high | 49 Ų | 49 | 33.3 Ų | 33.3 | 26% | 0.257 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -126.4 | 162.9 | 174.1 | -63.3 | -179.3 | 0 | 0 | 0 | 111.5 | R761 E1052 P1157 A1161 Y1162 L1165 | R761-L763 WeakPolarHBondContact CB-O 3.41Å; R761-L763 WeakPolarHBondContact CD-O 3.22Å; L763-E1052 PolarHBondContact N-OE1 2.87Å; L763-P1157 HydrophobicContact CB-CG 4.19Å; L763-P1157 HydrophobicContact CD1-CB 4.43Å; L763-P1157 HydrophobicContact CD1-CG 4.36Å; L763-A1161 HydrophobicContact CD1-CB 3.76Å; L763-Y1162 HydrophobicContact CB-CE1 4.43Å; L763-Y1162 HydrophobicContact CD1-CD1 4.08Å; L763-Y1162 HydrophobicContact CD1-CD2 4.33Å; L763-Y1162 HydrophobicContact CD1-CE1 3.63Å; L763-Y1162 HydrophobicContact CD1-CE2 3.96Å; L763-Y1162 HydrophobicContact CD1-CG 4.4Å; L763-Y1162 HydrophobicContact CG-CD1 4.5Å; L763-Y1162 HydrophobicContact CG-CE1 3.78Å; L763-L1165 HydrophobicContact CD2-CD1 4.19Å; L763-L1165 HydrophobicContact CD2-CD2 4.22Å; L763-L1165 HydrophobicContact CG-CD2 4.25Å |
| 764 | K | 92.3 | Very high | 90.7 | Very high | 114 Ų | 114 | 33.6 Ų | 33.6 | 50% | 0.496 | 18% | 0.182 | S | C | . | . | trans | -60.4 | 145.1 | 168.9 | -73.6 | -163.2 | 177.1 | -165.6 | 0 | 110.1 | T701 P1157 | T701-K764 PolarHBondContact OG1-NZ 3.3Å; K764-P1157 WeakPolarHBondContact O-CG 3.44Å | ||
| 765 | P | 93.7 | Very high | 90.7 | Very high | 18 Ų | 18 | 34 Ų | 34 | 12% | 0.117 | 18% | 0.183 | C | C | . | . | trans | -64.5 | 148.4 | 177.9 | 25.4 | -32.1 | 0 | 0 | 0 | 112.3 | Y767 Y887 G1155 | P765-Y767 HydrophobicContact CB-CD2 3.78Å; P765-Y767 HydrophobicContact CB-CE2 3.63Å; P765-Y767 HydrophobicContact CG-CD2 4.23Å; P765-Y767 HydrophobicContact CG-CE2 4.13Å; P765-Y887 HydrophobicContact CG-CD1 3.63Å; P765-Y887 HydrophobicContact CG-CD2 4.08Å; P765-Y887 HydrophobicContact CG-CE1 4.25Å; P765-Y887 HydrophobicContact CG-CG 3.53Å; P765-G1155 CarbonylContact C-O 2.88Å; P765-G1155 VanDerWaalsContact CA-O 3.3Å; P765-G1155 WeakPolarHBondContact CA-O 3.46Å | ||
| 766 | A | 92.8 | Very high | 90.7 | Very high | 34 Ų | 34 | 37.7 Ų | 37.7 | 28% | 0.281 | 20% | 0.199 | S | C | . | . | trans | -111.5 | 77.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110 | G1155 P1157 | A766-G1155 PolarHBondContact N-O 3.15Å; A766-P1157 HydrophobicContact CB-CB 4.36Å; A766-P1157 HydrophobicContact CB-CG 4.05Å | ||
| 767 | Y | 92.5 | Very high | 90.9 | Very high | 14 Ų | 14 | 41.9 Ų | 41.9 | 6% | 0.055 | 22% | 0.217 | C | C | . | . | trans | -90.2 | 154.9 | 169.8 | -67.4 | -60.7 | 0 | 0 | 0 | 110.9 | R761 P765 D769 G770 F771 E773 R888 Q890 D1153 H1154 G1155 | R761-Y767 PolarHBondContact NH2-OH 2.95Å; P765-Y767 HydrophobicContact CB-CD2 3.78Å; P765-Y767 HydrophobicContact CB-CE2 3.63Å; P765-Y767 HydrophobicContact CG-CD2 4.23Å; P765-Y767 HydrophobicContact CG-CE2 4.13Å; Y767-D769 WeakPolarHBondContact CB-OD1 3.28Å; Y767-G770 WeakPolarHBondContact O-CA 3.29Å; Y767-G770 PolarHBondContact O-N 3.07Å; Y767-G770 VanDerWaalsContact O-N 3.08Å; Y767-F771 VanDerWaalsContact CD2-C 3.42Å; Y767-F771 WeakPolarHBondContact CD2-O 3.22Å; Y767-E773 CarbonylContact C-O 2.99Å; Y767-E773 WeakPolarHBondContact CA-O 3.24Å; Y767-E773 VanDerWaalsContact CB-O 3.32Å; Y767-E773 WeakPolarHBondContact CB-O 3.4Å; Y767-E773 WeakPolarHBondContact CD1-O 3.14Å; Y767-R888 HydrophobicContact CE2-CB 3.93Å; Y767-R888 WeakPolarHBondContact CE2-O 3.15Å; Y767-R888 PolarHBondContact OH-O 3.1Å; Y767-Q890 PolarHBondContact OH-NE2 3.44Å; Y767-D1153 WeakPolarHBondContact CE1-O 3.44Å; Y767-H1154 PolarHBondContact OH-O 2.03Å; Y767-G1155 VanDerWaalsContact CE1-CA 3.4Å | ||
| 768 | N | 89.1 | Confident | 91.1 | Very high | 55 Ų | 55 | 41.9 Ų | 41.9 | 29% | 0.294 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -40.4 | -170.5 | -166.1 | 83.2 | 0 | 0 | 0 | 112.8 | G770 E773 P774 F777 | N768-G770 PolarHBondContact O-N 2.93Å; N768-E773 HydrophobicContact CB-CB 4.09Å; N768-E773 HydrophobicContact CB-CG 4.03Å; N768-E773 WeakPolarHBondContact CB-OE2 3.28Å; N768-E773 PolarHBondContact N-O 2.69Å; N768-E773 PolarHBondContact ND2-OE2 2.8Å; N768-P774 WeakPolarHBondContact CB-O 3.44Å; N768-F777 VanDerWaalsContact OD1-CD2 3.26Å; N768-F777 WeakPolarHBondContact OD1-CD2 3.47Å; N768-F777 PolarHBondContact OD1-N 3.09Å |
| 769 | D | 84.2 | Confident | 90.9 | Very high | 78 Ų | 78 | 43.5 Ų | 43.5 | 42% | 0.417 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -0.4 | 166.1 | 60.9 | -0.4 | 0 | 0 | 0 | 113.2 | Y767 F771 S772 E773 | Y767-D769 WeakPolarHBondContact CB-OD1 3.28Å; D769-F771 VanDerWaalsContact C-N 3.3Å; D769-F771 PolarHBondContact O-N 3.24Å; D769-F771 PolarHBondContact OD1-N 2.93Å; D769-F771 WeakPolarHBondContact OD2-CD1 3.09Å; D769-S772 PolarHBondContact OD1-N 3.04Å; D769-S772 PolarHBondContact OD2-N 3.07Å; D769-E773 HydrophobicContact CB-CB 4.01Å; D769-E773 VanDerWaalsContact CG-CB 3.46Å; D769-E773 PolarHBondContact OD1-N 3.14Å; D769-E773 WeakPolarHBondContact OD2-CB 3.17Å; D769-E773 PolarHBondContact OD2-N 2.95Å |
| 770 | G | 81.1 | Confident | 90.5 | Very high | 37 Ų | 37 | 47.8 Ų | 47.8 | 38% | 0.381 | 25% | 0.253 | S | S | . | . | S | Bend | trans | 74.5 | 8.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y767 N768 Y887 | Y767-G770 WeakPolarHBondContact O-CA 3.29Å; Y767-G770 PolarHBondContact O-N 3.07Å; Y767-G770 VanDerWaalsContact O-N 3.08Å; N768-G770 PolarHBondContact O-N 2.93Å; G770-Y887 WeakPolarHBondContact O-CD1 3.41Å; G770-Y887 VanDerWaalsContact O-CE1 3.25Å; G770-Y887 WeakPolarHBondContact O-CE1 3.44Å |
| 771 | F | 82.3 | Confident | 90.2 | Very high | 19 Ų | 19 | 48.4 Ų | 48.4 | 8% | 0.083 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -141.8 | -45.6 | -170 | 142.1 | -102.3 | 0 | 0 | 0 | 115.4 | L681 T684 K685 V700 Y767 D769 Y887 R888 | L681-F771 HydrophobicContact CD1-CD2 4.18Å; L681-F771 HydrophobicContact CD1-CE2 3.38Å; L681-F771 HydrophobicContact CD1-CZ 3.74Å; L681-F771 HydrophobicContact CG-CE2 3.82Å; L681-F771 HydrophobicContact CG-CZ 3.7Å; L681-F771 WeakPolarHBondContact O-CE2 3.18Å; L681-F771 VanDerWaalsContact O-CZ 3.32Å; L681-F771 WeakPolarHBondContact O-CZ 3.45Å; T684-F771 HydrophobicContact CG2-CD2 4.46Å; T684-F771 HydrophobicContact CG2-CE2 4.37Å; K685-F771 HydrophobicContact CB-CE1 3.92Å; K685-F771 HydrophobicContact CB-CE2 4.46Å; K685-F771 HydrophobicContact CB-CZ 3.71Å; K685-F771 HydrophobicContact CD-CE1 4.16Å; K685-F771 HydrophobicContact CG-CE1 4.18Å; K685-F771 HydrophobicContact CG-CZ 4.46Å; V700-F771 HydrophobicContact CG2-CB 4.37Å; Y767-F771 VanDerWaalsContact CD2-C 3.42Å; Y767-F771 WeakPolarHBondContact CD2-O 3.22Å; D769-F771 VanDerWaalsContact C-N 3.3Å; D769-F771 PolarHBondContact O-N 3.24Å; D769-F771 PolarHBondContact OD1-N 2.93Å; D769-F771 WeakPolarHBondContact OD2-CD1 3.09Å; F771-Y887 WeakPolarHBondContact O-CA 3.27Å; F771-R888 PolarHBondContact O-N 2.81Å |
| 772 | S | 89.9 | Confident | 90.1 | Very high | 13 Ų | 13 | 47.7 Ų | 47.7 | 9% | 0.091 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -153.5 | -29.8 | -169.8 | -177.2 | 0 | 0 | 0 | 0 | 115.6 | D769 R877 | D769-S772 PolarHBondContact OD1-N 3.04Å; D769-S772 PolarHBondContact OD2-N 3.07Å; S772-R877 PolarHBondContact O-NH1 3.28Å; S772-R877 PolarHBondContact O-NH2 3Å |
| 773 | E | 91.2 | Very high | 89.9 | Confident | 60 Ų | 60 | 50.5 Ų | 50.5 | 28% | 0.28 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -69.1 | 127.7 | -177.7 | -172.8 | -177.2 | -151 | 0 | 0 | 111.3 | Y767 N768 D769 K776 | Y767-E773 CarbonylContact C-O 2.99Å; Y767-E773 WeakPolarHBondContact CA-O 3.24Å; Y767-E773 VanDerWaalsContact CB-O 3.32Å; Y767-E773 WeakPolarHBondContact CB-O 3.4Å; Y767-E773 WeakPolarHBondContact CD1-O 3.14Å; N768-E773 HydrophobicContact CB-CB 4.09Å; N768-E773 HydrophobicContact CB-CG 4.03Å; N768-E773 WeakPolarHBondContact CB-OE2 3.28Å; N768-E773 PolarHBondContact N-O 2.69Å; N768-E773 PolarHBondContact ND2-OE2 2.8Å; D769-E773 HydrophobicContact CB-CB 4.01Å; D769-E773 VanDerWaalsContact CG-CB 3.46Å; D769-E773 PolarHBondContact OD1-N 3.14Å; D769-E773 WeakPolarHBondContact OD2-CB 3.17Å; D769-E773 PolarHBondContact OD2-N 2.95Å; E773-K776 HydrophobicContact CG-CD 4.44Å; E773-K776 WeakPolarHBondContact OE1-CE 3.44Å; E773-K776 IonicContact OE1-NZ 3.99Å; E773-K776 PolarHBondContact OE1-NZ 2.95Å |
| 774 | P | 93 | Very high | 89.9 | Confident | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.039 | 28% | 0.284 | C | S | . | . | trans | -55.1 | 148.2 | 178 | -25.9 | 34.7 | 0 | 0 | 0 | 113.4 | N768 K776 W850 R1152 | N768-P774 WeakPolarHBondContact CB-O 3.44Å; P774-K776 WeakPolarHBondContact O-CG 3.22Å; P774-K776 PolarHBondContact O-N 3.32Å; P774-W850 HydrophobicContact CB-CD2 4.14Å; P774-W850 HydrophobicContact CB-CE3 3.78Å; P774-W850 HydrophobicContact CB-CH2 3.37Å; P774-W850 HydrophobicContact CB-CZ2 3.75Å; P774-W850 HydrophobicContact CB-CZ3 3.38Å; P774-W850 HydrophobicContact CG-CD2 4.05Å; P774-W850 HydrophobicContact CG-CE3 3.84Å; P774-W850 HydrophobicContact CG-CH2 4.31Å; P774-W850 HydrophobicContact CG-CZ2 4.49Å; P774-W850 HydrophobicContact CG-CZ3 3.98Å; P774-R1152 WeakPolarHBondContact CA-O 3.35Å | ||
| 775 | R | 91.6 | Very high | 90 | Very high | 24 Ų | 24 | 44.8 Ų | 44.8 | 9% | 0.091 | 27% | 0.269 | C | S | . | . | trans | -62.3 | 110.5 | -179.3 | -166.8 | 176.9 | 71.1 | 129 | -0.3 | 111.2 | L784 R1152 D1198 D1200 | R775-L784 HydrophobicContact CG-CD1 3.93Å; R775-R1152 HydrophobicContact CB-CB 4.46Å; R775-R1152 PolarHBondContact N-O 2.97Å; R775-D1198 PolarHBondContact NH1-O 2.96Å; R775-D1198 PolarHBondContact NH2-O 3.01Å; R775-D1200 IonicContact CZ-OD1 4Å; R775-D1200 VanDerWaalsContact NH2-CG 3.33Å; R775-D1200 IonicContact NH2-OD1 3.24Å; R775-D1200 PolarHBondContact NH2-OD1 3.19Å; R775-D1200 IonicContact NH2-OD2 3.05Å | ||
| 776 | K | 89.7 | Confident | 90.1 | Very high | 78 Ų | 78 | 45.2 Ų | 45.2 | 34% | 0.339 | 27% | 0.273 | S | S | . | . | trans | -109.3 | -37 | -176.7 | -74.7 | 168.5 | -175.1 | -178.9 | 0 | 113.7 | E773 P774 L784 W850 | E773-K776 HydrophobicContact CG-CD 4.44Å; E773-K776 WeakPolarHBondContact OE1-CE 3.44Å; E773-K776 IonicContact OE1-NZ 3.99Å; E773-K776 PolarHBondContact OE1-NZ 2.95Å; P774-K776 WeakPolarHBondContact O-CG 3.22Å; P774-K776 PolarHBondContact O-N 3.32Å; K776-L784 WeakPolarHBondContact O-CB 3.29Å; K776-L784 PolarHBondContact O-N 3.37Å; K776-W850 HydrophobicContact CG-CZ2 4.26Å | ||
| 777 | F | 92 | Very high | 90.3 | Very high | 99 Ų | 99 | 43.8 Ų | 43.8 | 43% | 0.434 | 26% | 0.261 | S | S | . | . | B | Isolated β-bridge | trans | -103.3 | 152.5 | -176.3 | -57.3 | -67.8 | 0 | 0 | 0 | 113.6 | N768 G781 S782 P783 | N768-F777 VanDerWaalsContact OD1-CD2 3.26Å; N768-F777 WeakPolarHBondContact OD1-CD2 3.47Å; N768-F777 PolarHBondContact OD1-N 3.09Å; F777-G781 WeakPolarHBondContact CD1-O 3.26Å; F777-S782 CarbonylContact C-O 3.51Å; F777-S782 VanDerWaalsContact CA-O 3.3Å; F777-S782 WeakPolarHBondContact CA-O 3.43Å; F777-P783 HydrophobicContact CE1-CG 4.49Å |
| 778 | S | 90.7 | Very high | 90.5 | Very high | 12 Ų | 12 | 43.1 Ų | 43.1 | 8% | 0.084 | 26% | 0.258 | C | S | . | . | trans | -70.4 | 163.2 | 168.4 | 160 | 0 | 0 | 0 | 0 | 110.9 | D780 G781 S782 D1198 | S778-D780 WeakPolarHBondContact CB-OD1 3.43Å; S778-D780 PolarHBondContact O-N 3.42Å; S778-D780 PolarHBondContact OG-N 2.99Å; S778-D780 PolarHBondContact OG-OD1 3.33Å; S778-G781 PolarHBondContact O-N 3.28Å; S778-S782 WeakPolarHBondContact CB-O 3.44Å; S778-S782 WeakPolarHBondContact CB-OG 3.44Å; S778-S782 PolarHBondContact N-O 3.41Å; S778-D1198 PolarHBondContact OG-OD2 3.17Å; S778-D1198 VanDerWaalsContact OG-OD2 3.13Å | ||
| 779 | S | 86.6 | Confident | 90.8 | Very high | 76 Ų | 76 | 43.2 Ų | 43.2 | 53% | 0.531 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -13.5 | 172.7 | 48.2 | 0 | 0 | 0 | 0 | 115 | H1195 D1198 | S779-H1195 WeakPolarHBondContact OG-CB 3.36Å; S779-H1195 PolarHBondContact OG-ND1 3.45Å; S779-D1198 WeakPolarHBondContact CB-OD1 3.41Å; S779-D1198 PolarHBondContact N-OD1 3.01Å; S779-D1198 PolarHBondContact OG-OD1 3.28Å |
| 780 | D | 86.7 | Confident | 91.4 | Very high | 98 Ų | 98 | 39.5 Ų | 39.5 | 52% | 0.524 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -0.9 | 169.2 | 73.2 | -11.4 | 0 | 0 | 0 | 114.5 | S778 S782 H1194 | S778-D780 WeakPolarHBondContact CB-OD1 3.43Å; S778-D780 PolarHBondContact O-N 3.42Å; S778-D780 PolarHBondContact OG-N 2.99Å; S778-D780 PolarHBondContact OG-OD1 3.33Å; D780-S782 VanDerWaalsContact OD1-CB 3.27Å; D780-S782 WeakPolarHBondContact OD1-CB 3.17Å; D780-S782 PolarHBondContact OD1-N 2.87Å; D780-S782 PolarHBondContact OD1-OG 3.02Å; D780-H1194 IonicContact OD1-ND1 3.69Å; D780-H1194 IonicContact OD2-CE1 2.91Å; D780-H1194 IonicContact OD2-CG 3.11Å; D780-H1194 IonicContact OD2-ND1 3.97Å; D780-H1194 PolarHBondContact OD2-ND1 3Å |
| 781 | G | 88.3 | Confident | 92.2 | Very high | 50 Ų | 50 | 37.7 Ų | 37.7 | 52% | 0.515 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 87.3 | -5 | -177 | 0 | 0 | 0 | 0 | 0 | 115.4 | F777 S778 | F777-G781 WeakPolarHBondContact CD1-O 3.26Å; S778-G781 PolarHBondContact O-N 3.28Å |
| 782 | S | 92 | Very high | 92.8 | Very high | 27 Ų | 27 | 37.9 Ų | 37.9 | 19% | 0.189 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -72.5 | 159.5 | 173.5 | 67.5 | 0 | 0 | 0 | 0 | 112.2 | F777 S778 D780 H1194 | F777-S782 CarbonylContact C-O 3.51Å; F777-S782 VanDerWaalsContact CA-O 3.3Å; F777-S782 WeakPolarHBondContact CA-O 3.43Å; S778-S782 WeakPolarHBondContact CB-O 3.44Å; S778-S782 WeakPolarHBondContact CB-OG 3.44Å; S778-S782 PolarHBondContact N-O 3.41Å; D780-S782 VanDerWaalsContact OD1-CB 3.27Å; D780-S782 WeakPolarHBondContact OD1-CB 3.17Å; D780-S782 PolarHBondContact OD1-N 2.87Å; D780-S782 PolarHBondContact OD1-OG 3.02Å; S782-H1194 PolarHBondContact OG-CE1 3.47Å; S782-H1194 PolarHBondContact OG-ND1 2.88Å |
| 783 | P | 93.2 | Very high | 93.1 | Very high | 99 Ų | 99 | 39.7 Ų | 39.7 | 64% | 0.643 | 23% | 0.229 | S | C | * | . | B | Isolated β-bridge | trans | -66.2 | 135.9 | 176.1 | -21.1 | 34 | 0 | 0 | 0 | 112.7 | F777 | F777-P783 HydrophobicContact CE1-CG 4.49Å |
| 784 | L | 94.8 | Very high | 93.3 | Very high | 17 Ų | 17 | 36.8 Ų | 36.8 | 9% | 0.089 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -63.6 | 146.5 | 171.8 | -72.1 | 176.4 | 0 | 0 | 0 | 111.2 | R775 K776 D1198 | R775-L784 HydrophobicContact CG-CD1 3.93Å; K776-L784 WeakPolarHBondContact O-CB 3.29Å; K776-L784 PolarHBondContact O-N 3.37Å; L784-D1198 HydrophobicContact CD2-CB 3.9Å |
| 785 | P | 95.1 | Very high | 93.4 | Very high | 26 Ų | 26 | 36.5 Ų | 36.5 | 17% | 0.169 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -58.7 | 144.4 | 176.4 | 26.4 | -37.1 | 0 | 0 | 0 | 111.6 | V790 R1152 L1192 Y1193 | P785-V790 HydrophobicContact CB-CG2 3.86Å; P785-V790 HydrophobicContact CG-CG2 3.6Å; P785-R1152 PolarHBondContact O-NH1 2.75Å; P785-R1152 PolarHBondContact O-NH2 2.91Å; P785-L1192 WeakPolarHBondContact CG-O 3.41Å; P785-Y1193 HydrophobicContact CG-CD1 4.08Å; P785-Y1193 HydrophobicContact CG-CE1 3.94Å |
| 786 | S | 94.9 | Very high | 93.5 | Very high | 28 Ų | 28 | 37.4 Ų | 37.4 | 20% | 0.196 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -53 | 136.1 | 174.5 | 166.1 | 0 | 0 | 0 | 0 | 110.3 | R788 K789 V790 P853 | S786-R788 PolarHBondContact O-N 3.48Å; S786-R788 VanDerWaalsContact O-N 3.12Å; S786-R788 PolarHBondContact OG-N 3.45Å; S786-K789 WeakPolarHBondContact O-CA 3.34Å; S786-K789 WeakPolarHBondContact O-CB 3.17Å; S786-K789 PolarHBondContact O-N 3.42Å; S786-V790 PolarHBondContact O-N 2.89Å; S786-P853 PolarHBondContact OG-O 2.68Å |
| 787 | P | 97 | Very high | 93.7 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -49.5 | -37.6 | 175.2 | -26.7 | 31.1 | 0 | 0 | 0 | 113.5 | V790 A791 I852 A1145 I1148 Q1149 | P787-V790 PolarHBondContact O-N 3.47Å; P787-A791 WeakPolarHBondContact O-CB 3.46Å; P787-A791 PolarHBondContact O-N 3.01Å; P787-I852 HydrophobicContact CB-CD1 4.36Å; P787-I852 HydrophobicContact CB-CG2 4.01Å; P787-I852 HydrophobicContact CG-CG1 4.4Å; P787-I852 HydrophobicContact CG-CG2 4.11Å; P787-A1145 HydrophobicContact CB-CB 4Å; P787-A1145 WeakPolarHBondContact CB-O 3.14Å; P787-I1148 HydrophobicContact CB-CB 4.08Å; P787-I1148 HydrophobicContact CB-CG2 3.87Å; P787-I1148 HydrophobicContact CG-CG2 4.17Å; P787-Q1149 HydrophobicContact CB-CB 4.45Å; P787-Q1149 HydrophobicContact CG-CB 4.04Å |
| 788 | R | 97 | Very high | 93.7 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.6 | -38 | 176.1 | 178.2 | 55.9 | 179 | -174.2 | -3.2 | 112.4 | S786 A791 N792 I852 I854 D858 F861 M873 R1127 N1128 D1142 A1145 | S786-R788 PolarHBondContact O-N 3.48Å; S786-R788 VanDerWaalsContact O-N 3.12Å; S786-R788 PolarHBondContact OG-N 3.45Å; R788-A791 PolarHBondContact O-N 2.68Å; R788-N792 PolarHBondContact NE-OD1 3.3Å; R788-N792 WeakPolarHBondContact O-CB 3.13Å; R788-N792 VanDerWaalsContact O-CG 3.22Å; R788-N792 PolarHBondContact O-N 3.04Å; R788-N792 PolarHBondContact O-ND2 3.18Å; R788-I852 HydrophobicContact CB-CG2 4.07Å; R788-I854 HydrophobicContact CG-CD1 4.19Å; R788-D858 VanDerWaalsContact CG-OD2 3.23Å; R788-D858 WeakPolarHBondContact CG-OD2 3.37Å; R788-D858 IonicContact CZ-OD1 3.84Å; R788-D858 IonicContact CZ-OD2 3.61Å; R788-D858 IonicContact NE-OD1 2.71Å; R788-D858 IonicContact NE-OD2 3.42Å; R788-D858 PolarHBondContact NE-OD2 2.88Å; R788-D858 IonicContact NH2-OD1 3.97Å; R788-D858 PolarHBondContact NH2-OD1 2.91Å; R788-D858 IonicContact NH2-OD2 2.85Å; R788-D858 PolarHBondContact NH2-OD2 3.17Å; R788-F861 VanDerWaalsContact NH2-CD2 3.28Å; R788-M873 HydrophobicContact CB-CE 3.8Å; R788-M873 HydrophobicContact CG-CE 3.96Å; R788-R1127 PolarHBondContact NH1-O 3.47Å; R788-N1128 PolarHBondContact NH1-OD1 2.72Å; R788-N1128 PolarHBondContact NH2-OD1 2.82Å; R788-D1142 WeakPolarHBondContact CD-OD2 3.38Å; R788-D1142 IonicContact CZ-OD2 3.18Å; R788-D1142 IonicContact NE-OD2 2.66Å; R788-D1142 IonicContact NH1-OD2 2.94Å; R788-D1142 PolarHBondContact NH1-OD2 3.1Å; R788-A1145 HydrophobicContact CB-CB 4.43Å |
| 789 | K | 96.4 | Very high | 93.6 | Very high | 56 Ų | 56 | 39.6 Ų | 39.6 | 24% | 0.243 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.5 | -43.4 | 174.8 | -173 | 59.4 | 168.9 | -175.8 | 0 | 111.4 | S786 N792 V793 P855 D857 L1192 | S786-K789 WeakPolarHBondContact O-CA 3.34Å; S786-K789 WeakPolarHBondContact O-CB 3.17Å; S786-K789 PolarHBondContact O-N 3.42Å; K789-N792 PolarHBondContact O-N 3.03Å; K789-V793 PolarHBondContact O-N 3.03Å; K789-P855 HydrophobicContact CB-CG 4.43Å; K789-P855 HydrophobicContact CD-CB 4.45Å; K789-P855 HydrophobicContact CD-CG 4.36Å; K789-D857 IonicContact NZ-OD1 2.68Å; K789-D857 PolarHBondContact NZ-OD1 3.35Å; K789-D857 IonicContact NZ-OD2 3.41Å; K789-D857 PolarHBondContact NZ-OD2 2.96Å; K789-L1192 HydrophobicContact CG-CD2 4.24Å |
| 790 | V | 96.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.9 | -47.3 | 172.7 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | P785 S786 P787 N792 V793 M794 I1148 L1192 Y1193 P1203 | P785-V790 HydrophobicContact CB-CG2 3.86Å; P785-V790 HydrophobicContact CG-CG2 3.6Å; S786-V790 PolarHBondContact O-N 2.89Å; P787-V790 PolarHBondContact O-N 3.47Å; V790-N792 PolarHBondContact O-N 3.28Å; V790-V793 PolarHBondContact O-N 3.29Å; V790-M794 HydrophobicContact CG1-CG 3.95Å; V790-M794 VanDerWaalsContact O-CB 3.3Å; V790-M794 WeakPolarHBondContact O-CB 3.24Å; V790-M794 PolarHBondContact O-N 2.87Å; V790-I1148 HydrophobicContact CB-CD1 3.96Å; V790-I1148 HydrophobicContact CG1-CD1 3.61Å; V790-L1192 HydrophobicContact CB-CD1 4.48Å; V790-L1192 HydrophobicContact CG1-CD1 4.24Å; V790-Y1193 HydrophobicContact CG1-CE2 4.4Å; V790-Y1193 WeakPolarHBondContact CG1-OH 3.38Å; V790-P1203 HydrophobicContact CG1-CG 4.31Å |
| 791 | A | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.9 | -41 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P787 R788 H795 R1127 D1142 P1144 A1145 | P787-A791 WeakPolarHBondContact O-CB 3.46Å; P787-A791 PolarHBondContact O-N 3.01Å; R788-A791 PolarHBondContact O-N 2.68Å; A791-H795 WeakPolarHBondContact O-CA 3.42Å; A791-H795 WeakPolarHBondContact O-CB 3.46Å; A791-H795 PolarHBondContact O-N 3Å; A791-R1127 PolarHBondContact O-NH1 2.81Å; A791-D1142 VanDerWaalsContact CB-OD2 3.32Å; A791-D1142 WeakPolarHBondContact CB-OD2 3.49Å; A791-P1144 HydrophobicContact CB-CB 4.07Å; A791-P1144 HydrophobicContact CB-CG 4.39Å; A791-A1145 HydrophobicContact CB-CB 4.13Å |
| 792 | N | 95.8 | Very high | 94 | Very high | 23 Ų | 23 | 36.9 Ų | 36.9 | 12% | 0.123 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.5 | -42 | 177.5 | -73.7 | -20.5 | 0 | 0 | 0 | 113.2 | R788 K789 V790 D858 P859 R1127 | R788-N792 PolarHBondContact NE-OD1 3.3Å; R788-N792 WeakPolarHBondContact O-CB 3.13Å; R788-N792 VanDerWaalsContact O-CG 3.22Å; R788-N792 PolarHBondContact O-N 3.04Å; R788-N792 PolarHBondContact O-ND2 3.18Å; K789-N792 PolarHBondContact O-N 3.03Å; V790-N792 PolarHBondContact O-N 3.28Å; N792-D858 PolarHBondContact ND2-OD2 2.94Å; N792-P859 WeakPolarHBondContact ND2-CD 3.31Å; N792-R1127 PolarHBondContact OD1-NH2 2.01Å |
| 793 | V | 95.7 | Very high | 93.7 | Very high | 50 Ų | 50 | 45.5 Ų | 45.5 | 30% | 0.303 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -86 | -40.2 | -176.6 | 172.2 | 0 | 0 | 0 | 0 | 112.2 | K789 V790 R1120 A1188 L1192 | K789-V793 PolarHBondContact O-N 3.03Å; V790-V793 PolarHBondContact O-N 3.29Å; V793-R1120 PolarHBondContact O-NH2 3.41Å; V793-A1188 HydrophobicContact CG1-CB 4.09Å; V793-L1192 HydrophobicContact CB-CD1 3.92Å; V793-L1192 HydrophobicContact CB-CD2 4.01Å; V793-L1192 HydrophobicContact CB-CG 4.12Å; V793-L1192 HydrophobicContact CG1-CD1 3.82Å; V793-L1192 HydrophobicContact CG1-CD2 4.26Å; V793-L1192 HydrophobicContact CG1-CG 3.89Å; V793-L1192 HydrophobicContact CG2-CD2 4.14Å |
| 794 | M | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -79.4 | -37.9 | 180 | -66 | -49.6 | -54.4 | 0 | 0 | 113.3 | V790 P796 R1120 A1185 A1188 F1189 L1192 P1203 | V790-M794 HydrophobicContact CG1-CG 3.95Å; V790-M794 VanDerWaalsContact O-CB 3.3Å; V790-M794 WeakPolarHBondContact O-CB 3.24Å; V790-M794 PolarHBondContact O-N 2.87Å; M794-P796 WeakPolarHBondContact O-CD 3.03Å; M794-R1120 PolarHBondContact O-NE 2.89Å; M794-R1120 PolarHBondContact O-NH2 2.91Å; M794-A1185 HydrophobicContact CE-CB 4.46Å; M794-A1188 HydrophobicContact CE-CB 4.15Å; M794-A1188 HydrophobicContact SD-CB 3.57Å; M794-A1188 VanDerWaalsContact SD-CB 3.57Å; M794-F1189 HydrophobicContact CE-CD1 4Å; M794-F1189 HydrophobicContact CE-CD2 3.82Å; M794-F1189 HydrophobicContact CE-CE1 3.68Å; M794-F1189 HydrophobicContact CE-CE2 3.48Å; M794-F1189 VanDerWaalsContact CE-CE2 3.48Å; M794-F1189 HydrophobicContact CE-CG 4.06Å; M794-F1189 HydrophobicContact CE-CZ 3.41Å; M794-F1189 VanDerWaalsContact CE-CZ 3.41Å; M794-F1189 HydrophobicContact CG-CE1 4.22Å; M794-F1189 HydrophobicContact SD-CD1 3.82Å; M794-F1189 HydrophobicContact SD-CD2 4.46Å; M794-F1189 HydrophobicContact SD-CE1 3.9Å; M794-F1189 HydrophobicContact SD-CG 4.1Å; M794-F1189 HydrophobicContact SD-CZ 4.27Å; M794-L1192 HydrophobicContact CG-CD1 3.55Å; M794-L1192 HydrophobicContact SD-CD1 3.7Å; M794-P1203 HydrophobicContact CG-CB 4.47Å |
| 795 | H | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -120.4 | 37.7 | -164.9 | -51.5 | -50.9 | 0 | 0 | 0 | 116.2 | A791 R1120 I1122 R1127 P1144 | A791-H795 WeakPolarHBondContact O-CA 3.42Å; A791-H795 WeakPolarHBondContact O-CB 3.46Å; A791-H795 PolarHBondContact O-N 3Å; H795-R1120 VanDerWaalsContact CA-O 3.27Å; H795-R1120 WeakPolarHBondContact CA-O 3.31Å; H795-R1120 WeakPolarHBondContact CB-O 3.48Å; H795-R1120 PolarHBondContact ND1-O 3.24Å; H795-I1122 HydrophobicContact CB-CD1 4.33Å; H795-I1122 HydrophobicContact CB-CG1 4.48Å; H795-R1127 VanDerWaalsContact C-NH1 3.27Å; H795-R1127 VanDerWaalsContact O-CD 3.32Å; H795-R1127 WeakPolarHBondContact O-CD 3.3Å; H795-R1127 PolarHBondContact O-NH1 2.7Å; H795-P1144 HydrophobicContact CB-CB 4.44Å; H795-P1144 HydrophobicContact CB-CG 4.44Å | ||
| 796 | P | 93.7 | Very high | 92.7 | Very high | 43 Ų | 43 | 44.4 Ų | 44.4 | 28% | 0.279 | 22% | 0.223 | S | C | . | . | trans | -62.2 | 146.9 | -179 | 29.3 | -36 | 0 | 0 | 0 | 111.5 | M794 K798 Y1121 | M794-P796 WeakPolarHBondContact O-CD 3.03Å; P796-K798 PolarHBondContact O-N 3.15Å; P796-Y1121 HydrophobicContact CG-CD1 4.18Å; P796-Y1121 HydrophobicContact CG-CE1 4.34Å; P796-Y1121 WeakPolarHBondContact O-CB 3.49Å; P796-Y1121 VanDerWaalsContact O-CD1 3.25Å; P796-Y1121 WeakPolarHBondContact O-CD1 3.36Å | ||
| 797 | S | 93.4 | Very high | 92.6 | Very high | 33 Ų | 33 | 43.1 Ų | 43.1 | 23% | 0.231 | 21% | 0.214 | C | C | . | . | trans | -65.8 | 130.9 | 178.8 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | E1067 I1122 | S797-E1067 PolarHBondContact OG-OE1 3.31Å; S797-I1122 WeakPolarHBondContact CA-O 3.49Å; S797-I1122 WeakPolarHBondContact CB-O 3.46Å | ||
| 798 | K | 92 | Very high | 92.5 | Very high | 98 Ų | 98 | 42.9 Ų | 42.9 | 43% | 0.426 | 21% | 0.213 | S | C | . | . | trans | -139.8 | 135.9 | 165.4 | -63.4 | -170.8 | -170.5 | 172.1 | 0 | 108 | P796 V800 Y1121 | P796-K798 PolarHBondContact O-N 3.15Å; K798-V800 HydrophobicContact CB-CG2 3.98Å; K798-V800 PolarHBondContact O-N 3.19Å; K798-Y1121 HydrophobicContact CB-CD1 4.34Å; K798-Y1121 HydrophobicContact CB-CD2 4.04Å; K798-Y1121 HydrophobicContact CB-CG 3.93Å; K798-Y1121 HydrophobicContact CD-CD1 3.94Å; K798-Y1121 HydrophobicContact CD-CD2 4.1Å; K798-Y1121 HydrophobicContact CD-CE1 3.63Å; K798-Y1121 HydrophobicContact CD-CE2 3.84Å; K798-Y1121 HydrophobicContact CD-CG 4.17Å; K798-Y1121 VanDerWaalsContact CE-CE1 3.47Å; K798-Y1121 HydrophobicContact CG-CD1 3.97Å; K798-Y1121 HydrophobicContact CG-CD2 4.37Å; K798-Y1121 HydrophobicContact CG-CE1 4.18Å; K798-Y1121 HydrophobicContact CG-CG 4.08Å; K798-Y1121 PolarHBondContact NZ-OH 2.89Å | ||
| 799 | N | 89.3 | Confident | 92.3 | Very high | 103 Ų | 103 | 42.9 Ų | 42.9 | 55% | 0.551 | 21% | 0.213 | S | C | * | . | trans | -80.5 | 67.5 | -178.6 | -166.8 | -9.6 | 0 | 0 | 0 | 111.6 | I801 M1116 | N799-I801 WeakPolarHBondContact OD1-CG1 3.35Å; N799-M1116 WeakPolarHBondContact OD1-CE 3.4Å | ||
| 800 | V | 91.9 | Very high | 92.2 | Very high | 54 Ų | 54 | 40.5 Ų | 40.5 | 33% | 0.327 | 20% | 0.202 | S | C | . | . | trans | -89.9 | 104.3 | 178.5 | -168.4 | 0 | 0 | 0 | 0 | 109.8 | K798 M1116 A1117 D1119 Y1121 | K798-V800 HydrophobicContact CB-CG2 3.98Å; K798-V800 PolarHBondContact O-N 3.19Å; V800-M1116 WeakPolarHBondContact O-CA 3.35Å; V800-M1116 WeakPolarHBondContact O-CE 3.47Å; V800-A1117 HydrophobicContact CB-CB 4.16Å; V800-A1117 HydrophobicContact CG1-CB 3.69Å; V800-A1117 PolarHBondContact O-N 3.34Å; V800-D1119 WeakPolarHBondContact CB-OD2 3.23Å; V800-Y1121 HydrophobicContact CG2-CD2 3.9Å; V800-Y1121 HydrophobicContact CG2-CE2 4.32Å | ||
| 801 | I | 89.4 | Confident | 92.1 | Very high | 73 Ų | 73 | 40.6 Ų | 40.6 | 37% | 0.374 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 133.7 | -174.7 | -63.4 | -178.6 | 0 | 0 | 0 | 111.4 | N799 K803 P1114 M1116 | N799-I801 WeakPolarHBondContact OD1-CG1 3.35Å; I801-K803 PolarHBondContact O-N 2.95Å; I801-P1114 HydrophobicContact CG2-CB 3.47Å; I801-P1114 VanDerWaalsContact CG2-CB 3.47Å; I801-P1114 HydrophobicContact CG2-CG 3.25Å; I801-M1116 HydrophobicContact CG1-SD 4.47Å |
| 802 | H | 88.9 | Confident | 92 | Very high | 41 Ų | 41 | 40.6 Ų | 40.6 | 19% | 0.19 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 122.6 | 178.3 | -168.3 | -117.3 | 0 | 0 | 0 | 112.5 | K804 Y805 P1114 S1115 M1116 | H802-K804 PolarHBondContact O-N 3.26Å; H802-Y805 AromaticContact CE1-CD2 3.12Å; H802-Y805 WeakPolarHBondContact CE1-CD2 3.29Å; H802-Y805 AromaticContact CE1-CE2 3.55Å; H802-Y805 AromaticContact CE1-CG 3.48Å; H802-Y805 VanDerWaalsContact CE1-CG 3.48Å; H802-Y805 WeakPolarHBondContact ND1-CB 3.45Å; H802-Y805 AromaticContact ND1-CD2 3.39Å; H802-Y805 WeakPolarHBondContact ND1-CD2 3.04Å; H802-Y805 AromaticContact ND1-CG 3.49Å; H802-Y805 PolarHBondContact ND1-N 3.1Å; H802-P1114 WeakPolarHBondContact O-CB 3.35Å; H802-S1115 WeakPolarHBondContact CB-O 3.32Å; H802-S1115 WeakPolarHBondContact CB-OG 3.46Å; H802-S1115 PolarHBondContact N-O 3.26Å; H802-M1116 WeakPolarHBondContact CB-O 3.01Å |
| 803 | K | 84 | Confident | 92.1 | Very high | 208 Ų | 208 | 39.9 Ų | 39.9 | 90% | 0.904 | 20% | 0.201 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -68.1 | -1 | -170.2 | -59.2 | -179.1 | -179.5 | 178.3 | 0 | 116.1 | I801 | I801-K803 PolarHBondContact O-N 2.95Å |
| 804 | K | 84.7 | Confident | 92.1 | Very high | 108 Ų | 108 | 38.9 Ų | 38.9 | 47% | 0.47 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | -22.8 | -160.8 | -170.9 | 176.8 | -176.7 | 177.4 | 0 | 116.8 | H802 K1281 L1282 | H802-K804 PolarHBondContact O-N 3.26Å; K804-K1281 WeakPolarHBondContact O-CA 3.47Å; K804-L1282 PolarHBondContact O-N 3.13Å |
| 805 | Y | 87.9 | Confident | 92.2 | Very high | 11 Ų | 11 | 38.9 Ų | 38.9 | 4% | 0.043 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 140.7 | -176 | -60.1 | -32.4 | 0 | 0 | 0 | 110.5 | H802 L809 K1018 P1114 S1115 L1215 R1280 K1281 | H802-Y805 AromaticContact CE1-CD2 3.12Å; H802-Y805 WeakPolarHBondContact CE1-CD2 3.29Å; H802-Y805 AromaticContact CE1-CE2 3.55Å; H802-Y805 AromaticContact CE1-CG 3.48Å; H802-Y805 VanDerWaalsContact CE1-CG 3.48Å; H802-Y805 WeakPolarHBondContact ND1-CB 3.45Å; H802-Y805 AromaticContact ND1-CD2 3.39Å; H802-Y805 WeakPolarHBondContact ND1-CD2 3.04Å; H802-Y805 AromaticContact ND1-CG 3.49Å; H802-Y805 PolarHBondContact ND1-N 3.1Å; Y805-L809 HydrophobicContact CD1-CD1 4.3Å; Y805-L809 HydrophobicContact CD2-CD1 3.85Å; Y805-L809 HydrophobicContact CE2-CD1 4.36Å; Y805-L809 HydrophobicContact CG-CD1 3.84Å; Y805-K1018 HydrophobicContact CE1-CB 4.26Å; Y805-K1018 HydrophobicContact CE1-CD 4.17Å; Y805-K1018 HydrophobicContact CE1-CG 4.47Å; Y805-K1018 HydrophobicContact CE2-CB 4.35Å; Y805-K1018 PolarHBondContact OH-O 3.02Å; Y805-P1114 WeakPolarHBondContact O-CA 3.36Å; Y805-S1115 PolarHBondContact O-N 3.34Å; Y805-L1215 HydrophobicContact CD2-CD1 4.22Å; Y805-L1215 HydrophobicContact CD2-CD2 4.35Å; Y805-L1215 HydrophobicContact CE2-CB 4.39Å; Y805-L1215 HydrophobicContact CE2-CD1 4.14Å; Y805-L1215 HydrophobicContact CE2-CD2 4.42Å; Y805-R1280 WeakPolarHBondContact CA-O 3.22Å; Y805-R1280 WeakPolarHBondContact CD1-O 3.39Å; Y805-K1281 HydrophobicContact CD1-CG 4.24Å; Y805-K1281 HydrophobicContact CE1-CG 4.28Å |
| 806 | S | 91.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 156.3 | 178.1 | 56.4 | 0 | 0 | 0 | 0 | 110.9 | F808 L809 L1111 S1113 T1279 R1280 | S806-F808 PolarHBondContact O-N 3.47Å; S806-F808 VanDerWaalsContact O-N 3.15Å; S806-L809 WeakPolarHBondContact O-CB 3.28Å; S806-L809 PolarHBondContact O-N 3.13Å; S806-L1111 WeakPolarHBondContact CB-O 3.44Å; S806-S1113 CarbonylContact C-O 2.89Å; S806-S1113 VanDerWaalsContact CA-O 3.28Å; S806-S1113 WeakPolarHBondContact CA-O 3.06Å; S806-T1279 PolarHBondContact OG-O 3.43Å; S806-R1280 PolarHBondContact N-O 3.26Å; S806-R1280 WeakPolarHBondContact OG-CA 3.22Å |
| 807 | H | 92.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -25.2 | 178.9 | -159.3 | -157.7 | 0 | 0 | 0 | 112.1 | L809 M810 M811 R1066 F1069 L1110 S1113 | H807-L809 PolarHBondContact O-N 3.5Å; H807-M810 WeakPolarHBondContact NE2-CE 3.34Å; H807-M810 PolarHBondContact O-N 3.08Å; H807-M810 VanDerWaalsContact O-N 3.1Å; H807-M811 PolarHBondContact O-N 2.96Å; H807-R1066 PolarHBondContact NE2-N 3.11Å; H807-R1066 VanDerWaalsContact NE2-N 3.12Å; H807-F1069 AromaticContact CE1-CE1 3.62Å; H807-F1069 AromaticContact CE1-CE2 3.63Å; H807-F1069 AromaticContact CE1-CZ 3.4Å; H807-F1069 WeakPolarHBondContact CE1-CZ 3.3Å; H807-F1069 AromaticContact ND1-CE1 3.99Å; H807-L1110 HydrophobicContact CB-CD2 4.01Å; H807-L1110 PolarHBondContact N-O 3.35Å; H807-L1110 WeakPolarHBondContact ND1-CD2 3.47Å; H807-S1113 WeakPolarHBondContact CB-OG 3.45Å; H807-S1113 PolarHBondContact N-O 2.91Å |
| 808 | F | 93.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.6 | -25.4 | 171.3 | -149.9 | -73.8 | 0 | 0 | 0 | 113.8 | S806 M810 F812 L971 L1110 L1111 L1261 I1265 | S806-F808 PolarHBondContact O-N 3.47Å; S806-F808 VanDerWaalsContact O-N 3.15Å; F808-M810 VanDerWaalsContact C-N 3.28Å; F808-M810 PolarHBondContact O-N 3.22Å; F808-F812 HydrophobicContact CD1-CB 4.28Å; F808-F812 HydrophobicContact CE1-CB 4.28Å; F808-F812 HydrophobicContact CE1-CD2 4.45Å; F808-F812 WeakPolarHBondContact O-CB 3.42Å; F808-F812 PolarHBondContact O-N 2.81Å; F808-L971 HydrophobicContact CZ-CD1 4.2Å; F808-L1110 HydrophobicContact CB-CB 4.21Å; F808-L1110 HydrophobicContact CD2-CB 3.78Å; F808-L1110 HydrophobicContact CD2-CD1 4.26Å; F808-L1110 HydrophobicContact CG-CB 4.45Å; F808-L1110 PolarHBondContact N-O 2.91Å; F808-L1111 HydrophobicContact CB-CD2 4.41Å; F808-L1111 HydrophobicContact CD2-CD2 4.22Å; F808-L1111 HydrophobicContact CD2-CG 4.26Å; F808-L1111 HydrophobicContact CG-CD2 4.34Å; F808-L1261 HydrophobicContact CD1-CD2 3.79Å; F808-L1261 HydrophobicContact CE1-CD1 4.01Å; F808-L1261 HydrophobicContact CE1-CD2 3.6Å; F808-L1261 HydrophobicContact CE1-CG 4.22Å; F808-L1261 HydrophobicContact CZ-CD1 4.39Å; F808-I1265 HydrophobicContact CE2-CD1 4.31Å; F808-I1265 HydrophobicContact CZ-CD1 4.31Å |
| 809 | L | 93.5 | Very high | 93 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.6 | -38.4 | 174.4 | 178.2 | 146.9 | 0 | 0 | 0 | 111.7 | Y805 S806 H807 G813 W1015 K1018 L1064 L1215 R1280 | Y805-L809 HydrophobicContact CD1-CD1 4.3Å; Y805-L809 HydrophobicContact CD2-CD1 3.85Å; Y805-L809 HydrophobicContact CE2-CD1 4.36Å; Y805-L809 HydrophobicContact CG-CD1 3.84Å; S806-L809 WeakPolarHBondContact O-CB 3.28Å; S806-L809 PolarHBondContact O-N 3.13Å; H807-L809 PolarHBondContact O-N 3.5Å; L809-G813 PolarHBondContact O-N 3.21Å; L809-W1015 PolarHBondContact O-NE1 3.41Å; L809-K1018 HydrophobicContact CD1-CB 3.99Å; L809-L1064 HydrophobicContact CD2-CD1 3.95Å; L809-L1215 HydrophobicContact CD2-CD2 3.95Å; L809-R1280 HydrophobicContact CB-CB 4.24Å; L809-R1280 HydrophobicContact CB-CG 4.38Å; L809-R1280 HydrophobicContact CD1-CB 4.28Å |
| 810 | M | 93.9 | Very high | 93.4 | Very high | 5 Ų | 5 | 27.1 Ų | 27.1 | 3% | 0.025 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -73.4 | -49.9 | 177 | 177.6 | -79.2 | -68.8 | 0 | 0 | 110.8 | H807 F808 F812 G813 Q814 L1064 I1065 | H807-M810 WeakPolarHBondContact NE2-CE 3.34Å; H807-M810 PolarHBondContact O-N 3.08Å; H807-M810 VanDerWaalsContact O-N 3.1Å; F808-M810 VanDerWaalsContact C-N 3.28Å; F808-M810 PolarHBondContact O-N 3.22Å; M810-F812 VanDerWaalsContact C-N 3.28Å; M810-F812 PolarHBondContact O-N 3.48Å; M810-G813 CarbonylContact O-C 3.15Å; M810-G813 VanDerWaalsContact O-CA 3.27Å; M810-G813 WeakPolarHBondContact O-CA 3.48Å; M810-G813 PolarHBondContact O-N 2.91Å; M810-Q814 PolarHBondContact O-N 3.24Å; M810-L1064 HydrophobicContact CB-CB 3.83Å; M810-L1064 HydrophobicContact CB-CD1 4.26Å; M810-L1064 HydrophobicContact CG-CB 3.77Å; M810-I1065 HydrophobicContact CE-CB 4.08Å; M810-I1065 HydrophobicContact CE-CD1 4.27Å; M810-I1065 HydrophobicContact CE-CG1 3.73Å; M810-I1065 HydrophobicContact CE-CG2 3.93Å; M810-I1065 HydrophobicContact CG-CG1 3.91Å; M810-I1065 HydrophobicContact SD-CD1 3.95Å; M810-I1065 HydrophobicContact SD-CG1 3.74Å |
| 811 | M | 95.1 | Very high | 93.5 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.1 | -37.9 | -179.7 | -73.9 | -87.5 | 121.7 | 0 | 0 | 112.8 | H807 G813 Q814 F815 G964 L965 F1069 L1110 | H807-M811 PolarHBondContact O-N 2.96Å; M811-G813 VanDerWaalsContact C-N 3.33Å; M811-Q814 PolarHBondContact O-N 3.46Å; M811-F815 WeakPolarHBondContact O-CB 3.23Å; M811-F815 PolarHBondContact O-N 3.48Å; M811-G964 VanDerWaalsContact SD-CA 3.58Å; M811-L965 PolarHBondContact SD-N 3.49Å; M811-L965 VanDerWaalsContact SD-N 3.39Å; M811-F1069 HydrophobicContact CE-CE1 3.98Å; M811-F1069 HydrophobicContact CE-CZ 3.94Å; M811-F1069 HydrophobicContact SD-CE1 4.35Å; M811-L1110 HydrophobicContact CB-CD1 4.4Å; M811-L1110 HydrophobicContact CG-CD1 3.87Å; M811-L1110 HydrophobicContact CG-CD2 3.8Å; M811-L1110 HydrophobicContact CG-CG 4.46Å; M811-L1110 HydrophobicContact SD-CD1 4.29Å |
| 812 | F | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -69.5 | -31.1 | 172 | -170.5 | -82.5 | 0 | 0 | 0 | 112.7 | F808 M810 F815 L816 F972 I1010 W1015 L1261 R1280 | F808-F812 HydrophobicContact CD1-CB 4.28Å; F808-F812 HydrophobicContact CE1-CB 4.28Å; F808-F812 HydrophobicContact CE1-CD2 4.45Å; F808-F812 WeakPolarHBondContact O-CB 3.42Å; F808-F812 PolarHBondContact O-N 2.81Å; M810-F812 VanDerWaalsContact C-N 3.28Å; M810-F812 PolarHBondContact O-N 3.48Å; F812-F815 HydrophobicContact CD2-CD1 4.38Å; F812-F815 HydrophobicContact CE2-CD1 4.29Å; F812-L816 HydrophobicContact CD1-CB 4.49Å; F812-L816 HydrophobicContact CE1-CB 4.33Å; F812-L816 HydrophobicContact CE1-CD2 4.39Å; F812-L816 VanDerWaalsContact O-CB 3.23Å; F812-L816 WeakPolarHBondContact O-CB 3.45Å; F812-L816 PolarHBondContact O-N 3.14Å; F812-F972 HydrophobicContact CE2-CE2 4.19Å; F812-F972 HydrophobicContact CE2-CZ 4.27Å; F812-I1010 HydrophobicContact CE2-CG2 3.96Å; F812-I1010 HydrophobicContact CZ-CG2 3.79Å; F812-W1015 HydrophobicContact CD1-CB 4.46Å; F812-W1015 AromaticContact CD1-CD1 3.78Å; F812-W1015 HydrophobicContact CD1-CG 4.11Å; F812-L1261 HydrophobicContact CD2-CD2 4.17Å; F812-R1280 VanDerWaalsContact CD2-NH2 3.25Å; F812-R1280 VanDerWaalsContact CE2-NH2 3.31Å |
| 813 | G | 96.5 | Very high | 93.9 | Very high | 9 Ų | 9 | 21.4 Ų | 21.4 | 9% | 0.093 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65 | -42.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L809 M810 M811 L816 D817 | L809-G813 PolarHBondContact O-N 3.21Å; M810-G813 CarbonylContact O-C 3.15Å; M810-G813 VanDerWaalsContact O-CA 3.27Å; M810-G813 WeakPolarHBondContact O-CA 3.48Å; M810-G813 PolarHBondContact O-N 2.91Å; M811-G813 VanDerWaalsContact C-N 3.33Å; G813-L816 PolarHBondContact O-N 3.39Å; G813-D817 PolarHBondContact O-N 3.12Å |
| 814 | Q | 97.2 | Very high | 94 | Very high | 28 Ų | 28 | 11.5 Ų | 11.5 | 13% | 0.131 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -63.3 | -49.8 | 173.6 | -171.7 | 177.4 | 22.2 | 0 | 0 | 111.3 | M810 M811 L816 D817 H818 E961 N962 L965 | M810-Q814 PolarHBondContact O-N 3.24Å; M811-Q814 PolarHBondContact O-N 3.46Å; Q814-L816 PolarHBondContact O-N 3.48Å; Q814-D817 WeakPolarHBondContact O-CB 3.44Å; Q814-D817 PolarHBondContact O-N 3.18Å; Q814-D817 VanDerWaalsContact O-N 3.11Å; Q814-H818 PolarHBondContact O-CD2 2.78Å; Q814-H818 PolarHBondContact O-N 3.35Å; Q814-E961 PolarHBondContact NE2-OE1 3.19Å; Q814-E961 PolarHBondContact NE2-OE2 3.08Å; Q814-N962 PolarHBondContact OE1-ND2 3.17Å; Q814-L965 HydrophobicContact CB-CD1 4.25Å; Q814-L965 HydrophobicContact CG-CD1 3.94Å; Q814-L965 HydrophobicContact CG-CD2 4.22Å |
| 815 | F | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -56 | -34.4 | 174.5 | 178.3 | -110.6 | 0 | 0 | 0 | 113.4 | M811 F812 N902 V903 L965 P968 H969 F972 M1007 | M811-F815 WeakPolarHBondContact O-CB 3.23Å; M811-F815 PolarHBondContact O-N 3.48Å; F812-F815 HydrophobicContact CD2-CD1 4.38Å; F812-F815 HydrophobicContact CE2-CD1 4.29Å; F815-N902 WeakPolarHBondContact CE2-ND2 3.25Å; F815-N902 WeakPolarHBondContact CZ-ND2 3.27Å; F815-N902 PolarHBondContact O-ND2 2.97Å; F815-V903 HydrophobicContact CZ-CG2 4.14Å; F815-L965 HydrophobicContact CB-CD1 4.06Å; F815-P968 HydrophobicContact CB-CB 4.14Å; F815-P968 HydrophobicContact CB-CG 3.93Å; F815-P968 HydrophobicContact CD1-CB 4Å; F815-P968 HydrophobicContact CD2-CB 3.91Å; F815-P968 HydrophobicContact CD2-CG 4.12Å; F815-P968 HydrophobicContact CE1-CB 4.36Å; F815-P968 HydrophobicContact CE2-CB 4.3Å; F815-P968 HydrophobicContact CG-CB 3.75Å; F815-P968 HydrophobicContact CG-CG 4.02Å; F815-H969 AromaticContact CD2-CD2 3.59Å; F815-H969 AromaticContact CD2-CG 3.97Å; F815-H969 AromaticContact CD2-NE2 3.62Å; F815-H969 HydrophobicContact CE2-CB 4.37Å; F815-H969 AromaticContact CE2-CD2 3.84Å; F815-H969 AromaticContact CE2-CE1 3.92Å; F815-H969 AromaticContact CE2-CG 3.7Å; F815-H969 AromaticContact CE2-ND1 3.76Å; F815-H969 AromaticContact CE2-NE2 3.96Å; F815-F972 HydrophobicContact CD1-CE2 4.46Å; F815-F972 AromaticContact CE1-CD2 3.5Å; F815-F972 HydrophobicContact CE1-CD2 3.5Å; F815-F972 AromaticContact CE1-CE2 3.59Å; F815-F972 HydrophobicContact CE1-CE2 3.59Å; F815-F972 HydrophobicContact CE1-CG 4.1Å; F815-F972 HydrophobicContact CE1-CZ 4.25Å; F815-F972 HydrophobicContact CZ-CB 4.11Å; F815-F972 AromaticContact CZ-CD2 3.58Å; F815-F972 HydrophobicContact CZ-CD2 3.58Å; F815-F972 HydrophobicContact CZ-CE2 4.17Å; F815-F972 AromaticContact CZ-CG 3.88Å; F815-F972 HydrophobicContact CZ-CG 3.88Å; F815-M1007 HydrophobicContact CE1-CE 3.64Å; F815-M1007 HydrophobicContact CE1-SD 4.26Å; F815-M1007 HydrophobicContact CZ-CE 3.82Å |
| 816 | L | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -76.5 | -37.1 | 175.7 | 178.8 | 62.7 | 0 | 0 | 0 | 113 | F812 G813 Q814 H818 D819 M820 I898 T1011 W1015 F1058 | F812-L816 HydrophobicContact CD1-CB 4.49Å; F812-L816 HydrophobicContact CE1-CB 4.33Å; F812-L816 HydrophobicContact CE1-CD2 4.39Å; F812-L816 VanDerWaalsContact O-CB 3.23Å; F812-L816 WeakPolarHBondContact O-CB 3.45Å; F812-L816 PolarHBondContact O-N 3.14Å; G813-L816 PolarHBondContact O-N 3.39Å; Q814-L816 PolarHBondContact O-N 3.48Å; L816-H818 PolarHBondContact O-N 2.76Å; L816-D819 WeakPolarHBondContact O-CB 3.36Å; L816-D819 PolarHBondContact O-N 2.81Å; L816-D819 VanDerWaalsContact O-N 3.15Å; L816-M820 HydrophobicContact CD1-CE 4.42Å; L816-M820 HydrophobicContact CG-CE 4.04Å; L816-M820 WeakPolarHBondContact O-CE 3.34Å; L816-I898 HydrophobicContact CD1-CD1 4.16Å; L816-I898 HydrophobicContact CD1-CG1 4.05Å; L816-I898 HydrophobicContact CD1-CG2 4.1Å; L816-T1011 HydrophobicContact CD1-CG2 4.42Å; L816-T1011 HydrophobicContact CD2-CG2 3.56Å; L816-W1015 HydrophobicContact CD2-CD2 4.41Å; L816-W1015 HydrophobicContact CD2-CE3 4.04Å; L816-W1015 HydrophobicContact CD2-CZ3 4.11Å; L816-F1058 HydrophobicContact CD2-CZ 4.15Å; L816-F1058 HydrophobicContact CG-CZ 4.38Å |
| 817 | D | 97.6 | Very high | 93.5 | Very high | 24 Ų | 24 | 8.2 Ų | 8.2 | 13% | 0.128 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -57.5 | -43.7 | 170.9 | 179.2 | -103.6 | 0 | 0 | 0 | 110.6 | G813 Q814 D819 M820 T821 R958 F1058 | G813-D817 PolarHBondContact O-N 3.12Å; Q814-D817 WeakPolarHBondContact O-CB 3.44Å; Q814-D817 PolarHBondContact O-N 3.18Å; Q814-D817 VanDerWaalsContact O-N 3.11Å; D817-D819 PolarHBondContact O-N 2.82Å; D817-M820 PolarHBondContact O-N 2.92Å; D817-T821 PolarHBondContact O-N 3.13Å; D817-T821 PolarHBondContact OD1-OG1 2.73Å; D817-T821 VanDerWaalsContact OD2-CG2 3.3Å; D817-T821 WeakPolarHBondContact OD2-CG2 3.39Å; D817-T821 PolarHBondContact OD2-OG1 3.39Å; D817-R958 IonicContact OD1-NH1 2.75Å; D817-R958 PolarHBondContact OD1-NH1 2.75Å; D817-F1058 HydrophobicContact CB-CD1 3.7Å; D817-F1058 HydrophobicContact CB-CE1 3.84Å |
| 818 | H | 97.4 | Very high | 92.8 | Very high | 6 Ų | 6 | 8.2 Ų | 8.2 | 3% | 0.028 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -3.4 | -179.3 | -67.5 | -147.1 | 0 | 0 | 0 | 113.8 | Q814 L816 L894 N902 D956 R958 | Q814-H818 PolarHBondContact O-CD2 2.78Å; Q814-H818 PolarHBondContact O-N 3.35Å; L816-H818 PolarHBondContact O-N 2.76Å; H818-L894 WeakPolarHBondContact O-CD1 3.43Å; H818-N902 WeakPolarHBondContact O-CB 3.42Å; H818-D956 HydrophobicContact CB-CB 4.22Å; H818-D956 IonicContact CE1-OD1 2.67Å; H818-D956 IonicContact CG-OD1 3.09Å; H818-D956 IonicContact ND1-OD1 3.1Å; H818-D956 PolarHBondContact ND1-OD1 3.3Å; H818-R958 VanDerWaalsContact CD2-CZ 3.49Å; H818-R958 PolarHBondContact CD2-NH1 2.75Å; H818-R958 VanDerWaalsContact CD2-NH1 3.26Å; H818-R958 VanDerWaalsContact CE1-CB 3.45Å; H818-R958 WeakPolarHBondContact CE1-CB 3.48Å; H818-R958 PolarHBondContact CE1-NE 3.36Å; H818-R958 VanDerWaalsContact CG-CZ 3.45Å; H818-R958 PolarHBondContact ND1-NE 3.24Å; H818-R958 PolarHBondContact NE2-NH1 3.32Å |
| 819 | D | 98 | Very high | 91.9 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -19.4 | 168.9 | -158.7 | 29.9 | 0 | 0 | 0 | 113 | L816 D817 I898 D899 A900 S901 N902 | L816-D819 WeakPolarHBondContact O-CB 3.36Å; L816-D819 PolarHBondContact O-N 2.81Å; L816-D819 VanDerWaalsContact O-N 3.15Å; D817-D819 PolarHBondContact O-N 2.82Å; D819-I898 VanDerWaalsContact OD2-CA 3.32Å; D819-I898 WeakPolarHBondContact OD2-CA 3.17Å; D819-D899 PolarHBondContact OD2-N 2.76Å; D819-D899 VanDerWaalsContact OD2-N 3.15Å; D819-A900 WeakPolarHBondContact OD1-CA 3.22Å; D819-A900 PolarHBondContact OD1-N 3.44Å; D819-A900 PolarHBondContact OD2-N 3.47Å; D819-S901 PolarHBondContact O-OG 3.43Å; D819-S901 PolarHBondContact OD1-N 3.43Å; D819-S901 PolarHBondContact OD1-OG 2.79Å; D819-N902 HydrophobicContact CB-CB 4.26Å; D819-N902 PolarHBondContact OD1-N 2.93Å; D819-N902 VanDerWaalsContact OD1-N 3.17Å |
| 820 | M | 96.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | -33.1 | -163.8 | -59.1 | -178.1 | -58.7 | 0 | 0 | 114.5 | L816 D817 N892 T895 I898 I1049 F1053 F1058 M1228 L1231 | L816-M820 HydrophobicContact CD1-CE 4.42Å; L816-M820 HydrophobicContact CG-CE 4.04Å; L816-M820 WeakPolarHBondContact O-CE 3.34Å; D817-M820 PolarHBondContact O-N 2.92Å; M820-N892 PolarHBondContact O-ND2 3Å; M820-T895 WeakPolarHBondContact CA-O 3.24Å; M820-I898 HydrophobicContact CG-CG1 4.13Å; M820-I898 HydrophobicContact SD-CD1 4.12Å; M820-I898 HydrophobicContact SD-CG1 3.6Å; M820-I898 VanDerWaalsContact SD-CG1 3.6Å; M820-I1049 HydrophobicContact CB-CD1 4.13Å; M820-I1049 HydrophobicContact CB-CG1 4.34Å; M820-I1049 WeakPolarHBondContact O-CG1 3.4Å; M820-F1053 HydrophobicContact CE-CE1 3.97Å; M820-F1053 HydrophobicContact CE-CZ 4.01Å; M820-F1058 HydrophobicContact CE-CD1 4.5Å; M820-F1058 HydrophobicContact CE-CE1 3.95Å; M820-F1058 HydrophobicContact CE-CZ 4.05Å; M820-M1228 HydrophobicContact CE-CE 4.27Å; M820-L1231 HydrophobicContact SD-CD1 3.42Å; M820-L1231 WeakPolarHBondContact SD-CD1 3.5Å |
| 821 | T | 95.9 | Very high | 89.6 | Confident | 7 Ų | 7 | 16.9 Ų | 16.9 | 4% | 0.043 | 11% | 0.106 | C | C | . | . | trans | -133.4 | 126.2 | -170.2 | 109.9 | 0 | 0 | 0 | 0 | 112.2 | D817 R958 I1049 F1053 A1054 | D817-T821 PolarHBondContact O-N 3.13Å; D817-T821 PolarHBondContact OD1-OG1 2.73Å; D817-T821 VanDerWaalsContact OD2-CG2 3.3Å; D817-T821 WeakPolarHBondContact OD2-CG2 3.39Å; D817-T821 PolarHBondContact OD2-OG1 3.39Å; T821-R958 PolarHBondContact O-NH1 3.32Å; T821-R958 PolarHBondContact O-NH2 2.89Å; T821-I1049 HydrophobicContact CG2-CG1 4.46Å; T821-I1049 HydrophobicContact CG2-CG2 4.06Å; T821-F1053 HydrophobicContact CG2-CD1 4.21Å; T821-F1053 HydrophobicContact CG2-CE1 4.09Å; T821-A1054 HydrophobicContact CG2-CB 4.01Å | ||
| 822 | H | 93.2 | Very high | 88.4 | Confident | 16 Ų | 16 | 18.7 Ų | 18.7 | 7% | 0.074 | 12% | 0.118 | C | C | . | . | trans | -156.2 | 117.3 | 164.9 | -164.3 | -23.9 | 0 | 0 | 0 | 109.6 | N892 Q893 L894 D956 R958 | H822-N892 PolarHBondContact N-OD1 3.14Å; H822-N892 WeakPolarHBondContact O-CA 3.4Å; H822-N892 PolarHBondContact O-OD1 3.05Å; H822-Q893 HydrophobicContact CB-CG 3.7Å; H822-Q893 PolarHBondContact CD2-NE2 2.9Å; H822-Q893 VanDerWaalsContact CD2-NE2 3.29Å; H822-Q893 PolarHBondContact CE1-NE2 3.02Å; H822-Q893 PolarHBondContact ND1-NE2 2.9Å; H822-Q893 PolarHBondContact NE2-NE2 3.32Å; H822-Q893 PolarHBondContact O-N 3.1Å; H822-L894 HydrophobicContact CB-CD1 3.93Å; H822-L894 HydrophobicContact CB-CG 3.78Å; H822-D956 IonicContact CD2-OD2 2.78Å; H822-D956 PolarHBondContact CD2-OD2 2.9Å; H822-R958 PolarHBondContact CD2-NE 3.4Å | ||
| 823 | T | 92.1 | Very high | 87.4 | Confident | 25 Ų | 25 | 20.6 Ų | 20.6 | 15% | 0.153 | 13% | 0.128 | C | C | . | . | P | Polyproline II helix | trans | -95.3 | 120.2 | 170 | -45.5 | 0 | 0 | 0 | 0 | 109.2 | F759 Q890 | F759-T823 HydrophobicContact CE2-CG2 4.35Å; F759-T823 VanDerWaalsContact CE2-OG1 3.3Å; F759-T823 WeakPolarHBondContact CE2-OG1 3.34Å; F759-T823 WeakPolarHBondContact CZ-OG1 3.39Å; T823-Q890 HydrophobicContact CG2-CB 4.14Å |
| 824 | P | 87.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | P | Polyproline II helix | trans | -77.2 | 164.1 | 169.2 | 27.7 | -26.9 | 0 | 0 | 0 | 111.4 | V664 L879 L891 Q893 | V664-P824 HydrophobicContact CG1-CB 4.16Å; P824-L879 HydrophobicContact CB-CB 4.39Å; P824-L879 HydrophobicContact CB-CD2 4.29Å; P824-L879 HydrophobicContact CG-CB 3.99Å; P824-L879 HydrophobicContact CG-CD2 3.81Å; P824-L879 WeakPolarHBondContact O-CB 3.45Å; P824-L879 PolarHBondContact O-N 3.17Å; P824-L891 HydrophobicContact CG-CD2 4.12Å; P824-Q893 HydrophobicContact CG-CB 4.47Å |
| 825 | M | 87.5 | Confident | 86.1 | Confident | 31 Ų | 31 | 22.4 Ų | 22.4 | 15% | 0.153 | 13% | 0.134 | C | C | . | . | B | Isolated β-bridge | trans | -100.2 | 164.3 | 178.3 | -58.2 | -162.7 | -64.6 | 0 | 0 | 111.4 | V664 V876 R1150 | V664-M825 HydrophobicContact CG1-CB 3.97Å; V664-M825 HydrophobicContact CG1-CG 4.2Å; V664-M825 VanDerWaalsContact CG1-N 3.28Å; V664-M825 HydrophobicContact CG2-CE 4.07Å; M825-V876 HydrophobicContact CB-CB 4.19Å; M825-V876 HydrophobicContact CB-CG1 4.43Å; M825-V876 HydrophobicContact CE-CB 4.43Å; M825-V876 HydrophobicContact CE-CG2 4.14Å; M825-V876 HydrophobicContact SD-CB 3.92Å; M825-V876 HydrophobicContact SD-CG2 4.23Å; M825-R1150 PolarHBondContact SD-NH2 3.06Å; M825-R1150 VanDerWaalsContact SD-NH2 3.43Å |
| 826 | T | 86.7 | Confident | 85.8 | Confident | 14 Ų | 14 | 22.4 Ų | 22.4 | 9% | 0.086 | 13% | 0.134 | C | C | . | . | P | Polyproline II helix | trans | -63.2 | 142.6 | 165.7 | -51.9 | 0 | 0 | 0 | 0 | 110.2 | L834 S848 V876 R877 | T826-L834 HydrophobicContact CG2-CD1 4.15Å; T826-S848 WeakPolarHBondContact CG2-OG 3.45Å; T826-S848 PolarHBondContact OG1-OG 3.14Å; T826-V876 WeakPolarHBondContact O-CG1 3.41Å; T826-R877 PolarHBondContact N-O 3.02Å; T826-R877 VanDerWaalsContact N-O 3.07Å; T826-R877 PolarHBondContact OG1-O 2.87Å |
| 827 | V | 78.1 | Confident | 85.3 | Confident | 5 Ų | 5 | 24.1 Ų | 24.1 | 3% | 0.03 | 15% | 0.146 | C | C | . | . | trans | -127.2 | 164.4 | 171.4 | -44.2 | 0 | 0 | 0 | 0 | 108.6 | R666 S832 | R666-V827 HydrophobicContact CG-CG1 4.02Å; R666-V827 HydrophobicContact CG-CG2 4.01Å; V827-S832 WeakPolarHBondContact CB-O 3.31Å | ||
| 828 | A | 77.3 | Confident | 84.9 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | trans | -57.4 | 157.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q651 D830 G831 S832 L834 | Q651-A828 VanDerWaalsContact NE2-CB 3.31Å; A828-D830 WeakPolarHBondContact CB-OD1 3.31Å; A828-D830 PolarHBondContact O-N 3.4Å; A828-G831 PolarHBondContact O-N 3.35Å; A828-S832 WeakPolarHBondContact CB-O 3.48Å; A828-S832 VanDerWaalsContact CB-OG 3.27Å; A828-S832 WeakPolarHBondContact CB-OG 3.4Å; A828-S832 PolarHBondContact N-O 2.81Å; A828-L834 HydrophobicContact CB-CD2 4.04Å | ||
| 829 | P | 74.9 | Confident | 84.7 | Confident | 31 Ų | 31 | 27.2 Ų | 27.2 | 20% | 0.201 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | 2.9 | 174.9 | -19.2 | 32.1 | 0 | 0 | 0 | 115.8 | E644 E647 R648 | E644-P829 HydrophobicContact CB-CB 4.2Å; E644-P829 HydrophobicContact CB-CG 4.23Å; E644-P829 HydrophobicContact CG-CB 4.25Å; E644-P829 HydrophobicContact CG-CG 4.36Å; E647-P829 HydrophobicContact CB-CG 4.06Å; R648-P829 HydrophobicContact CG-CB 3.91Å; R648-P829 HydrophobicContact CG-CG 4.32Å; R648-P829 PolarHBondContact NE-O 2.89Å; R648-P829 PolarHBondContact NH2-O 3.27Å |
| 830 | D | 69.4 | Low | 84.4 | Confident | 107 Ų | 107 | 31.3 Ų | 31.3 | 57% | 0.572 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108 | -6.2 | 167.3 | 71.7 | -8.3 | 0 | 0 | 0 | 113.6 | A828 S832 | A828-D830 WeakPolarHBondContact CB-OD1 3.31Å; A828-D830 PolarHBondContact O-N 3.4Å; D830-S832 VanDerWaalsContact OD1-CB 3.27Å; D830-S832 WeakPolarHBondContact OD1-CB 3.42Å; D830-S832 PolarHBondContact OD1-N 2.74Å; D830-S832 PolarHBondContact OD1-OG 3.23Å |
| 831 | G | 69.1 | Low | 84.1 | Confident | 49 Ų | 49 | 31.3 Ų | 31.3 | 51% | 0.505 | 20% | 0.195 | S | C | . | . | S | Bend | trans | 100.2 | -7.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | A828 | A828-G831 PolarHBondContact O-N 3.35Š|
| 832 | S | 70.3 | Confident | 83.9 | Confident | 40 Ų | 40 | 33.5 Ų | 33.5 | 28% | 0.28 | 21% | 0.211 | S | C | . | . | P | Polyproline II helix | trans | -74.9 | 159.6 | 179.8 | 65 | 0 | 0 | 0 | 0 | 113.7 | V827 A828 D830 | V827-S832 WeakPolarHBondContact CB-O 3.31Å; A828-S832 WeakPolarHBondContact CB-O 3.48Å; A828-S832 VanDerWaalsContact CB-OG 3.27Å; A828-S832 WeakPolarHBondContact CB-OG 3.4Å; A828-S832 PolarHBondContact N-O 2.81Å; D830-S832 VanDerWaalsContact OD1-CB 3.27Å; D830-S832 WeakPolarHBondContact OD1-CB 3.42Å; D830-S832 PolarHBondContact OD1-N 2.74Å; D830-S832 PolarHBondContact OD1-OG 3.23Å |
| 833 | L | 75.2 | Confident | 83.7 | Confident | 39 Ų | 39 | 39.1 Ų | 39.1 | 20% | 0.204 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 144 | 176.4 | -62.3 | -179.1 | 0 | 0 | 0 | 111.7 | F658 N662 | F658-L833 HydrophobicContact CD1-CB 4.12Å; F658-L833 HydrophobicContact CD1-CD1 4.38Å; F658-L833 HydrophobicContact CE1-CB 4.18Å; F658-L833 HydrophobicContact CE1-CD1 4.21Å; N662-L833 HydrophobicContact CB-CD1 4.42Å |
| 834 | L | 81.9 | Confident | 83.4 | Confident | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -82.4 | 118 | 172.9 | -62.1 | 172.6 | 0 | 0 | 0 | 110.3 | T826 A828 C836 V845 H874 V876 | T826-L834 HydrophobicContact CG2-CD1 4.15Å; A828-L834 HydrophobicContact CB-CD2 4.04Å; L834-C836 PolarHBondContact O-N 2.73Å; L834-C836 VanDerWaalsContact O-N 3.11Å; L834-V845 HydrophobicContact CD2-CG1 4.29Å; L834-H874 PolarHBondContact O-NE2 2.74Å; L834-V876 HydrophobicContact CB-CG1 4.49Å; L834-V876 HydrophobicContact CB-CG2 4.39Å; L834-V876 HydrophobicContact CD1-CG1 3.89Å |
| 835 | E | 83.9 | Confident | 83.3 | Confident | 70 Ų | 70 | 41 Ų | 41 | 33% | 0.327 | 25% | 0.248 | S | C | . | . | trans | -77 | 91.8 | 170 | 169.9 | 48.3 | 135.4 | 0 | 0 | 109.8 | F658 S837 H874 | F658-E835 HydrophobicContact CB-CB 4.22Å; F658-E835 HydrophobicContact CD1-CB 4.3Å; F658-E835 HydrophobicContact CD2-CB 3.98Å; F658-E835 HydrophobicContact CD2-CG 3.92Å; F658-E835 WeakPolarHBondContact CD2-OE1 3.47Å; F658-E835 HydrophobicContact CE2-CB 4.47Å; F658-E835 HydrophobicContact CE2-CG 4.41Å; F658-E835 WeakPolarHBondContact CE2-OE1 3.49Å; F658-E835 VanDerWaalsContact CE2-OE2 3.24Å; F658-E835 WeakPolarHBondContact CE2-OE2 3.21Å; F658-E835 HydrophobicContact CG-CB 3.89Å; F658-E835 HydrophobicContact CG-CG 4.29Å; E835-S837 VanDerWaalsContact CD-OG 3.29Å; E835-S837 PolarHBondContact OE1-OG 3.46Å; E835-S837 WeakPolarHBondContact OE2-CB 3.08Å; E835-S837 PolarHBondContact OE2-N 3.29Å; E835-S837 PolarHBondContact OE2-OG 3.38Å; E835-H874 IonicContact OE2-CD2 2.65Å; E835-H874 PolarHBondContact OE2-CD2 3.36Å | ||
| 836 | C | 90.5 | Very high | 83.4 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -102.3 | 25.6 | -179.2 | -57.7 | 0 | 0 | 0 | 0 | 113.5 | L834 S841 C849 P851 H874 V876 | L834-C836 PolarHBondContact O-N 2.73Å; L834-C836 VanDerWaalsContact O-N 3.11Å; C836-S841 WeakPolarHBondContact CA-OG 3.48Å; C836-S841 PolarHBondContact O-OG 3.32Å; C836-C849 VanDerWaalsContact CA-SG 3.59Å; C836-C849 HydrophobicContact CB-CB 3.54Å; C836-C849 WeakPolarHBondContact CB-SG 3.28Å; C836-C849 WeakPolarHBondContact SG-CA 3.29Å; C836-C849 WeakPolarHBondContact SG-CB 3.34Å; C836-C849 CovalentContact SG-SG 2.03Å; C836-C849 PolarHBondContact SG-SG 3.25Å; C836-P851 WeakPolarHBondContact O-CB 3.49Å; C836-H874 PolarHBondContact N-CD2 3.09Å; C836-H874 PolarHBondContact N-NE2 3.08Å; C836-V876 HydrophobicContact CB-CG2 4.37Å | ||
| 837 | S | 88.4 | Confident | 83.5 | Confident | 36 Ų | 36 | 42.6 Ų | 42.6 | 25% | 0.252 | 26% | 0.263 | S | S | . | . | trans | -75.2 | -32.5 | 179.7 | -57.8 | 0 | 0 | 0 | 0 | 113.4 | E835 | E835-S837 VanDerWaalsContact CD-OG 3.29Å; E835-S837 PolarHBondContact OE1-OG 3.46Å; E835-S837 WeakPolarHBondContact OE2-CB 3.08Å; E835-S837 PolarHBondContact OE2-N 3.29Å; E835-S837 PolarHBondContact OE2-OG 3.38Å | ||
| 838 | A | 89.8 | Confident | 84.1 | Confident | 50 Ų | 50 | 43 Ų | 43 | 41% | 0.413 | 27% | 0.267 | S | S | . | . | B | Isolated β-bridge | trans | -72.7 | 136.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | N840 S841 | A838-N840 PolarHBondContact O-N 3.27Å; A838-N840 VanDerWaalsContact O-N 3.1Å; A838-S841 WeakPolarHBondContact O-CB 3.23Å; A838-S841 PolarHBondContact O-N 3.44Å; A838-S841 PolarHBondContact O-OG 3.37Å |
| 839 | C | 92.7 | Very high | 84.9 | Confident | 46 Ų | 46 | 43.1 Ų | 43.1 | 31% | 0.311 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -19.1 | -175.2 | -63.8 | 0 | 0 | 0 | 0 | 115 | P870 R871 C872 | C839-P870 PolarHBondContact SG-O 3.44Å; C839-R871 VanDerWaalsContact SG-C 3.52Å; C839-C872 WeakPolarHBondContact CA-SG 3.27Å; C839-C872 HydrophobicContact CB-CB 4.22Å; C839-C872 WeakPolarHBondContact CB-SG 3.22Å; C839-C872 WeakPolarHBondContact SG-CB 3.49Å; C839-C872 PolarHBondContact SG-N 2.98Å; C839-C872 VanDerWaalsContact SG-N 3.4Å; C839-C872 CovalentContact SG-SG 2.04Å; C839-C872 PolarHBondContact SG-SG 2.9Å |
| 840 | N | 91.4 | Very high | 85.9 | Confident | 86 Ų | 86 | 43.9 Ų | 43.9 | 46% | 0.46 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 8.7 | 176.1 | 65.9 | -12.3 | 0 | 0 | 0 | 113.9 | A838 S842 E843 T844 | A838-N840 PolarHBondContact O-N 3.27Å; A838-N840 VanDerWaalsContact O-N 3.1Å; N840-S842 PolarHBondContact O-N 2.71Å; N840-E843 PolarHBondContact O-N 3.36Å; N840-T844 PolarHBondContact O-N 3.41Å; N840-T844 PolarHBondContact O-OG1 3.43Å |
| 841 | S | 91.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.4 | -20.2 | -176.7 | 51.8 | 0 | 0 | 0 | 0 | 114.7 | C836 A838 E843 T844 V845 S846 C849 | C836-S841 WeakPolarHBondContact CA-OG 3.48Å; C836-S841 PolarHBondContact O-OG 3.32Å; A838-S841 WeakPolarHBondContact O-CB 3.23Å; A838-S841 PolarHBondContact O-N 3.44Å; A838-S841 PolarHBondContact O-OG 3.37Å; S841-E843 PolarHBondContact O-N 3.31Å; S841-T844 WeakPolarHBondContact CA-OG1 3.45Å; S841-V845 WeakPolarHBondContact O-CA 3.44Å; S841-V845 WeakPolarHBondContact O-CB 2.96Å; S841-V845 PolarHBondContact O-N 3.42Å; S841-S846 PolarHBondContact O-N 2.95Å; S841-C849 WeakPolarHBondContact OG-CB 3.42Å |
| 842 | S | 90.5 | Very high | 88.4 | Confident | 53 Ų | 53 | 37 Ų | 37 | 37% | 0.371 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.9 | -25.6 | 169.7 | 51.4 | 0 | 0 | 0 | 0 | 114.1 | N840 S846 | N840-S842 PolarHBondContact O-N 2.71Å; S842-S846 CarbonylContact C-O 3.49Å; S842-S846 VanDerWaalsContact CA-O 3.29Å; S842-S846 WeakPolarHBondContact CA-O 3.5Å |
| 843 | E | 88.8 | Confident | 89.5 | Confident | 134 Ų | 134 | 38.4 Ų | 38.4 | 63% | 0.626 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -110.5 | -34.8 | -178 | -64.7 | 174.2 | -169 | 0 | 0 | 112.4 | R646 N840 S841 | R646-E843 PolarHBondContact NH2-O 3.13Å; N840-E843 PolarHBondContact O-N 3.36Å; S841-E843 PolarHBondContact O-N 3.31Å |
| 844 | T | 86.8 | Confident | 90.5 | Very high | 50 Ų | 50 | 37.1 Ų | 37.1 | 31% | 0.307 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -96.4 | -12.6 | -172.9 | 58.6 | 0 | 0 | 0 | 0 | 114.8 | N840 S841 | N840-T844 PolarHBondContact O-N 3.41Å; N840-T844 PolarHBondContact O-OG1 3.43Å; S841-T844 WeakPolarHBondContact CA-OG1 3.45Å |
| 845 | V | 85.4 | Confident | 91.1 | Very high | 14 Ų | 14 | 37.9 Ų | 37.9 | 9% | 0.085 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.6 | -59.8 | -179.3 | -179 | 0 | 0 | 0 | 0 | 111.9 | L834 S841 | L834-V845 HydrophobicContact CD2-CG1 4.29Å; S841-V845 WeakPolarHBondContact O-CA 3.44Å; S841-V845 WeakPolarHBondContact O-CB 2.96Å; S841-V845 PolarHBondContact O-N 3.42Å |
| 846 | S | 88.9 | Confident | 91.6 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | trans | -161.2 | 145.4 | 179.6 | 169.7 | 0 | 0 | 0 | 0 | 111.7 | E647 S841 S842 S848 C849 | E647-S846 VanDerWaalsContact OE1-CA 3.22Å; E647-S846 WeakPolarHBondContact OE1-CA 3.45Å; E647-S846 VanDerWaalsContact OE1-CB 3.28Å; E647-S846 WeakPolarHBondContact OE1-CB 3.42Å; E647-S846 PolarHBondContact OE1-OG 3.5Å; E647-S846 PolarHBondContact OE2-OG 2.94Å; S841-S846 PolarHBondContact O-N 2.95Å; S842-S846 CarbonylContact C-O 3.49Å; S842-S846 VanDerWaalsContact CA-O 3.29Å; S842-S846 WeakPolarHBondContact CA-O 3.5Å; S846-S848 PolarHBondContact O-N 3.48Å; S846-S848 PolarHBondContact OG-N 3.49Å; S846-C849 WeakPolarHBondContact O-CB 3.49Å; S846-C849 PolarHBondContact O-N 2.93Å | ||
| 847 | S | 89.4 | Confident | 91.7 | Very high | 77 Ų | 77 | 46.6 Ų | 46.6 | 54% | 0.538 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -17.4 | 170.9 | 60.9 | 0 | 0 | 0 | 0 | 114 | E647 | E647-S847 PolarHBondContact OE1-N 2.92Å; E647-S847 PolarHBondContact OE1-OG 2.96Å |
| 848 | S | 91.3 | Very high | 92.1 | Very high | 14 Ų | 14 | 45.9 Ų | 45.9 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -1.8 | 174.5 | -72.2 | 0 | 0 | 0 | 0 | 114.5 | T826 S846 R877 | T826-S848 WeakPolarHBondContact CG2-OG 3.45Å; T826-S848 PolarHBondContact OG1-OG 3.14Å; S846-S848 PolarHBondContact O-N 3.48Å; S846-S848 PolarHBondContact OG-N 3.49Å; S848-R877 WeakPolarHBondContact O-CB 3.5Å; S848-R877 WeakPolarHBondContact O-CG 3.42Å; S848-R877 PolarHBondContact O-N 3.02Å |
| 849 | C | 93.6 | Very high | 92.3 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.02 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -76.2 | 127.8 | 169.6 | -69.1 | 0 | 0 | 0 | 0 | 110.9 | C836 S841 S846 | C836-C849 VanDerWaalsContact CA-SG 3.59Å; C836-C849 HydrophobicContact CB-CB 3.54Å; C836-C849 WeakPolarHBondContact CB-SG 3.28Å; C836-C849 WeakPolarHBondContact SG-CA 3.29Å; C836-C849 WeakPolarHBondContact SG-CB 3.34Å; C836-C849 CovalentContact SG-SG 2.03Å; C836-C849 PolarHBondContact SG-SG 3.25Å; S841-C849 WeakPolarHBondContact OG-CB 3.42Å; S846-C849 WeakPolarHBondContact O-CB 3.49Å; S846-C849 PolarHBondContact O-N 2.93Å |
| 850 | W | 94.7 | Very high | 92.4 | Very high | 47 Ų | 47 | 49.6 Ų | 49.6 | 18% | 0.178 | 28% | 0.278 | C | S | . | . | trans | -141 | 63.3 | 173.6 | -166.6 | 44.3 | 0 | 0 | 0 | 112.5 | P774 K776 F875 R877 Q1149 R1152 D1153 | P774-W850 HydrophobicContact CB-CD2 4.14Å; P774-W850 HydrophobicContact CB-CE3 3.78Å; P774-W850 HydrophobicContact CB-CH2 3.37Å; P774-W850 HydrophobicContact CB-CZ2 3.75Å; P774-W850 HydrophobicContact CB-CZ3 3.38Å; P774-W850 HydrophobicContact CG-CD2 4.05Å; P774-W850 HydrophobicContact CG-CE3 3.84Å; P774-W850 HydrophobicContact CG-CH2 4.31Å; P774-W850 HydrophobicContact CG-CZ2 4.49Å; P774-W850 HydrophobicContact CG-CZ3 3.98Å; K776-W850 HydrophobicContact CG-CZ2 4.26Å; W850-F875 CarbonylContact C-O 3.52Å; W850-F875 HydrophobicContact CB-CD1 4.15Å; W850-F875 HydrophobicContact CE3-CE1 4.15Å; W850-F875 PolarHBondContact N-O 2.67Å; W850-F875 WeakPolarHBondContact O-CB 3.44Å; W850-F875 VanDerWaalsContact O-CD1 3.28Å; W850-F875 WeakPolarHBondContact O-CD1 3.33Å; W850-R877 HydrophobicContact CB-CG 4.17Å; W850-Q1149 VanDerWaalsContact CD2-NE2 3.34Å; W850-Q1149 HydrophobicContact CE3-CG 3.9Å; W850-Q1149 HydrophobicContact CZ3-CG 3.87Å; W850-Q1149 PolarHBondContact O-NE2 2.98Å; W850-R1152 HydrophobicContact CH2-CB 3.68Å; W850-R1152 HydrophobicContact CZ3-CB 3.86Å; W850-D1153 HydrophobicContact CE3-CB 4.27Å; W850-D1153 HydrophobicContact CZ3-CB 4.23Å | ||
| 851 | P | 95.5 | Very high | 92.5 | Very high | 12 Ų | 12 | 45.7 Ų | 45.7 | 8% | 0.078 | 26% | 0.257 | C | S | . | . | trans | -53.6 | 158.8 | -175.9 | 17.1 | -31.1 | 0 | 0 | 0 | 115.2 | C836 P853 C872 M873 Q1149 | C836-P851 WeakPolarHBondContact O-CB 3.49Å; P851-P853 WeakPolarHBondContact O-CD 3.47Å; P851-C872 HydrophobicContact CB-CB 3.63Å; P851-M873 WeakPolarHBondContact CA-O 3.2Å; P851-M873 WeakPolarHBondContact CB-O 3.44Å; P851-Q1149 PolarHBondContact O-NE2 3.3Å | ||
| 852 | I | 96.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 113.2 | 177.2 | -58.7 | 173.4 | 0 | 0 | 0 | 109.8 | P787 R788 C872 M873 F875 A1145 L1146 Q1149 | P787-I852 HydrophobicContact CB-CD1 4.36Å; P787-I852 HydrophobicContact CB-CG2 4.01Å; P787-I852 HydrophobicContact CG-CG1 4.4Å; P787-I852 HydrophobicContact CG-CG2 4.11Å; R788-I852 HydrophobicContact CB-CG2 4.07Å; I852-C872 CarbonylContact O-C 3.54Å; I852-C872 VanDerWaalsContact O-CA 3.23Å; I852-C872 WeakPolarHBondContact O-CA 3.46Å; I852-C872 WeakPolarHBondContact O-CB 3.2Å; I852-M873 HydrophobicContact CB-CB 4.36Å; I852-M873 HydrophobicContact CB-CE 4.28Å; I852-M873 HydrophobicContact CG2-CE 3.89Å; I852-M873 PolarHBondContact N-O 3.17Å; I852-M873 PolarHBondContact O-N 3.28Å; I852-F875 HydrophobicContact CG1-CB 4.46Å; I852-A1145 HydrophobicContact CD1-CB 4.2Å; I852-L1146 HydrophobicContact CD1-CD2 4.01Å; I852-Q1149 HydrophobicContact CD1-CB 3.7Å; I852-Q1149 HydrophobicContact CD1-CG 4.06Å; I852-Q1149 HydrophobicContact CG1-CB 3.93Å; I852-Q1149 HydrophobicContact CG1-CG 3.74Å |
| 853 | P | 94.5 | Very high | 92.8 | Very high | 69 Ų | 69 | 47.4 Ų | 47.4 | 45% | 0.448 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 133.4 | 178.5 | -20.8 | 34.1 | 0 | 0 | 0 | 113.1 | S786 P851 C872 | S786-P853 PolarHBondContact OG-O 2.68Å; P851-P853 WeakPolarHBondContact O-CD 3.47Å; P853-C872 VanDerWaalsContact CA-SG 3.59Å |
| 854 | I | 96.2 | Very high | 93 | Very high | 11 Ų | 11 | 44.2 Ų | 44.2 | 6% | 0.056 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 127.9 | 170.7 | -60.5 | -56.1 | 0 | 0 | 0 | 108.9 | R788 D858 F861 R871 M873 | R788-I854 HydrophobicContact CG-CD1 4.19Å; I854-D858 HydrophobicContact CG2-CB 3.71Å; I854-F861 HydrophobicContact CD1-CB 3.94Å; I854-F861 HydrophobicContact CD1-CD2 3.93Å; I854-F861 HydrophobicContact CD1-CG 4.08Å; I854-F861 HydrophobicContact CG1-CB 4.15Å; I854-F861 HydrophobicContact CG2-CB 3.9Å; I854-R871 HydrophobicContact CB-CB 4.31Å; I854-R871 WeakPolarHBondContact CB-O 3.45Å; I854-R871 HydrophobicContact CG1-CB 4.06Å; I854-R871 HydrophobicContact CG1-CG 3.79Å; I854-R871 WeakPolarHBondContact CG1-O 3.32Å; I854-R871 PolarHBondContact N-O 3.42Å; I854-M873 HydrophobicContact CD1-CE 3.85Å; I854-M873 HydrophobicContact CD1-CG 4.07Å; I854-M873 HydrophobicContact CD1-SD 4.47Å |
| 855 | P | 94.3 | Very high | 93.1 | Very high | 22 Ų | 22 | 45.5 Ų | 45.5 | 14% | 0.143 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 152.1 | 176.3 | 31 | -34.4 | 0 | 0 | 0 | 111.5 | K789 D857 D858 | K789-P855 HydrophobicContact CB-CG 4.43Å; K789-P855 HydrophobicContact CD-CB 4.45Å; K789-P855 HydrophobicContact CD-CG 4.36Å; P855-D857 PolarHBondContact O-N 3.1Å; P855-D858 HydrophobicContact CG-CB 4.1Å; P855-D858 PolarHBondContact O-N 2.79Å; P855-D858 VanDerWaalsContact O-N 3.07Å |
| 856 | N | 93.8 | Very high | 93.2 | Very high | 150 Ų | 150 | 51.1 Ų | 51.1 | 80% | 0.802 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -17.9 | 178.4 | -69.9 | -13.8 | 0 | 0 | 0 | 114.5 | ||
| 857 | D | 93.3 | Very high | 93.2 | Very high | 102 Ų | 102 | 57.1 Ų | 57.1 | 55% | 0.545 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | 31.9 | 178.2 | 71.8 | -15.3 | 0 | 0 | 0 | 113.1 | K789 P855 | K789-D857 IonicContact NZ-OD1 2.68Å; K789-D857 PolarHBondContact NZ-OD1 3.35Å; K789-D857 IonicContact NZ-OD2 3.41Å; K789-D857 PolarHBondContact NZ-OD2 2.96Å; P855-D857 PolarHBondContact O-N 3.1Å |
| 858 | D | 95.9 | Very high | 93.2 | Very high | 21 Ų | 21 | 56 Ų | 56 | 11% | 0.112 | 33% | 0.329 | C | S | . | . | trans | -65.7 | 133.4 | 170.9 | -159.5 | -88.2 | 0 | 0 | 0 | 111.8 | R788 N792 I854 P855 Y860 F861 | R788-D858 VanDerWaalsContact CG-OD2 3.23Å; R788-D858 WeakPolarHBondContact CG-OD2 3.37Å; R788-D858 IonicContact CZ-OD1 3.84Å; R788-D858 IonicContact CZ-OD2 3.61Å; R788-D858 IonicContact NE-OD1 2.71Å; R788-D858 IonicContact NE-OD2 3.42Å; R788-D858 PolarHBondContact NE-OD2 2.88Å; R788-D858 IonicContact NH2-OD1 3.97Å; R788-D858 PolarHBondContact NH2-OD1 2.91Å; R788-D858 IonicContact NH2-OD2 2.85Å; R788-D858 PolarHBondContact NH2-OD2 3.17Å; N792-D858 PolarHBondContact ND2-OD2 2.94Å; I854-D858 HydrophobicContact CG2-CB 3.71Å; P855-D858 HydrophobicContact CG-CB 4.1Å; P855-D858 PolarHBondContact O-N 2.79Å; P855-D858 VanDerWaalsContact O-N 3.07Å; D858-Y860 VanDerWaalsContact C-N 3.26Å; D858-Y860 PolarHBondContact O-N 3.46Å; D858-Y860 PolarHBondContact OD1-N 3.16Å; D858-F861 WeakPolarHBondContact CB-O 3.39Å; D858-F861 PolarHBondContact OD1-N 3.08Å | ||
| 859 | P | 94.2 | Very high | 93.2 | Very high | 105 Ų | 105 | 57.4 Ų | 57.4 | 68% | 0.682 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -81 | 1.4 | -177.3 | 33.9 | -37.3 | 0 | 0 | 0 | 114.1 | N792 | N792-P859 WeakPolarHBondContact ND2-CD 3.31Š|
| 860 | Y | 94.6 | Very high | 93.2 | Very high | 69 Ų | 69 | 61.6 Ų | 61.6 | 27% | 0.271 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -141.2 | -47.9 | -177 | -177.4 | -101.9 | 0 | 0 | 0 | 114.4 | D858 N1128 H1129 F1138 | D858-Y860 VanDerWaalsContact C-N 3.26Å; D858-Y860 PolarHBondContact O-N 3.46Å; D858-Y860 PolarHBondContact OD1-N 3.16Å; Y860-N1128 WeakPolarHBondContact CB-ND2 3.32Å; Y860-N1128 HydrophobicContact CD1-CB 3.64Å; Y860-N1128 HydrophobicContact CE1-CB 3.75Å; Y860-N1128 HydrophobicContact CG-CB 4.07Å; Y860-N1128 VanDerWaalsContact CG-ND2 3.27Å; Y860-H1129 AromaticContact CZ-CE1 3.68Å; Y860-H1129 PolarHBondContact OH-CE1 2.94Å; Y860-F1138 HydrophobicContact CE1-CD1 4.06Å; Y860-F1138 VanDerWaalsContact O-CE1 3.27Å; Y860-F1138 WeakPolarHBondContact O-CE1 3.48Å |
| 861 | F | 94.3 | Very high | 93.2 | Very high | 5 Ų | 5 | 60.9 Ų | 60.9 | 2% | 0.022 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -86.4 | 125.5 | -179.5 | -65.1 | -69.9 | 0 | 0 | 0 | 110.3 | R788 I854 D858 M873 F1138 G1140 | R788-F861 VanDerWaalsContact NH2-CD2 3.28Å; I854-F861 HydrophobicContact CD1-CB 3.94Å; I854-F861 HydrophobicContact CD1-CD2 3.93Å; I854-F861 HydrophobicContact CD1-CG 4.08Å; I854-F861 HydrophobicContact CG1-CB 4.15Å; I854-F861 HydrophobicContact CG2-CB 3.9Å; D858-F861 WeakPolarHBondContact CB-O 3.39Å; D858-F861 PolarHBondContact OD1-N 3.08Å; F861-M873 HydrophobicContact CE2-SD 4.16Å; F861-M873 HydrophobicContact CZ-SD 4.44Å; F861-F1138 HydrophobicContact CD1-CB 4.13Å; F861-F1138 HydrophobicContact CD1-CD1 4.47Å; F861-G1140 VanDerWaalsContact CE1-O 3.23Å; F861-G1140 WeakPolarHBondContact CE1-O 3.07Å; F861-G1140 WeakPolarHBondContact CZ-O 3.32Å |
| 862 | P | 94.1 | Very high | 93.1 | Very high | 45 Ų | 45 | 61 Ų | 61 | 29% | 0.292 | 36% | 0.364 | S | S | . | . | trans | -64.3 | 135.6 | 173.8 | 25.4 | -31.3 | 0 | 0 | 0 | 109.7 | T864 R871 F1138 | P862-T864 PolarHBondContact O-N 3.04Å; P862-T864 VanDerWaalsContact O-N 3.09Å; P862-R871 WeakPolarHBondContact O-CD 3.29Å; P862-R871 PolarHBondContact O-NE 2.97Å; P862-F1138 HydrophobicContact CG-CD2 4.26Å; P862-F1138 HydrophobicContact CG-CE2 4.36Å; P862-F1138 HydrophobicContact CG-CG 4.39Å | ||
| 863 | P | 93 | Very high | 93 | Very high | 43 Ų | 43 | 61.5 Ų | 61.5 | 28% | 0.279 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -69.3 | -11.1 | -170.5 | 27.8 | -36.1 | 0 | 0 | 0 | 114.2 | R871 | P863-R871 PolarHBondContact O-N 3.39Š|
| 864 | T | 93.6 | Very high | 92.8 | Very high | 68 Ų | 68 | 59 Ų | 59 | 42% | 0.417 | 35% | 0.349 | S | S | . | . | B | Isolated β-bridge | trans | -120.8 | 161 | 174.1 | 52 | 0 | 0 | 0 | 0 | 112.5 | P862 S869 R871 | P862-T864 PolarHBondContact O-N 3.04Å; P862-T864 VanDerWaalsContact O-N 3.09Å; T864-S869 CarbonylContact C-O 3.53Å; T864-S869 WeakPolarHBondContact CA-O 3.28Å; T864-S869 WeakPolarHBondContact CB-O 3.46Å; T864-R871 PolarHBondContact O-NE 3.34Å; T864-R871 PolarHBondContact O-NH2 3.02Å |
| 865 | M | 89.1 | Confident | 92.7 | Very high | 76 Ų | 76 | 58.7 Ų | 58.7 | 37% | 0.374 | 35% | 0.347 | S | S | . | . | trans | -83.1 | 164.9 | 165 | -64.6 | -63.6 | -76.1 | 0 | 0 | 110.3 | D867 G868 S869 R871 | M865-D867 WeakPolarHBondContact CB-OD1 3.17Å; M865-D867 PolarHBondContact O-N 3.3Å; M865-D867 VanDerWaalsContact O-N 3.13Å; M865-G868 PolarHBondContact O-N 3.39Å; M865-S869 WeakPolarHBondContact CB-OG 3.2Å; M865-S869 PolarHBondContact N-O 3.26Å; M865-R871 HydrophobicContact CG-CB 4.43Å; M865-R871 HydrophobicContact SD-CB 4.37Å; M865-R871 HydrophobicContact SD-CG 4.02Å; M865-R871 PolarHBondContact SD-NH1 2.9Å; M865-R871 VanDerWaalsContact SD-NH1 3.44Å | ||
| 866 | P | 85.9 | Confident | 92.7 | Very high | 133 Ų | 133 | 57.7 Ų | 57.7 | 86% | 0.864 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -17.4 | -177.6 | -24.5 | 35.9 | 0 | 0 | 0 | 115.5 | G868 | P866-G868 VanDerWaalsContact C-N 3.34Š|
| 867 | D | 88.9 | Confident | 92.7 | Very high | 127 Ų | 127 | 51.8 Ų | 51.8 | 68% | 0.679 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -3.4 | 174 | 63.3 | -2.5 | 0 | 0 | 0 | 113.6 | M865 S869 | M865-D867 WeakPolarHBondContact CB-OD1 3.17Å; M865-D867 PolarHBondContact O-N 3.3Å; M865-D867 VanDerWaalsContact O-N 3.13Å; D867-S869 VanDerWaalsContact OD1-CB 3.31Å; D867-S869 WeakPolarHBondContact OD1-CB 3.27Å; D867-S869 PolarHBondContact OD1-N 3.48Å; D867-S869 PolarHBondContact OD1-OG 3.25Å; D867-S869 PolarHBondContact OD2-OG 2.97Å |
| 868 | G | 90.2 | Very high | 92.8 | Very high | 53 Ų | 53 | 47 Ų | 47 | 55% | 0.546 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 88.5 | -3.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115 | M865 P866 | M865-G868 PolarHBondContact O-N 3.39Å; P866-G868 VanDerWaalsContact C-N 3.34Å |
| 869 | S | 91.1 | Very high | 92.5 | Very high | 45 Ų | 45 | 46 Ų | 46 | 32% | 0.315 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 153.2 | 175.7 | 67.6 | 0 | 0 | 0 | 0 | 111.9 | T864 M865 D867 | T864-S869 CarbonylContact C-O 3.53Å; T864-S869 WeakPolarHBondContact CA-O 3.28Å; T864-S869 WeakPolarHBondContact CB-O 3.46Å; M865-S869 WeakPolarHBondContact CB-OG 3.2Å; M865-S869 PolarHBondContact N-O 3.26Å; D867-S869 VanDerWaalsContact OD1-CB 3.31Å; D867-S869 WeakPolarHBondContact OD1-CB 3.27Å; D867-S869 PolarHBondContact OD1-N 3.48Å; D867-S869 PolarHBondContact OD1-OG 3.25Å; D867-S869 PolarHBondContact OD2-OG 2.97Å |
| 870 | P | 93.7 | Very high | 92.3 | Very high | 90 Ų | 90 | 41 Ų | 41 | 58% | 0.584 | 24% | 0.244 | S | C | * | . | B | Isolated β-bridge | trans | -62.9 | 138 | 177.1 | -21.6 | 33.7 | 0 | 0 | 0 | 112 | C839 | C839-P870 PolarHBondContact SG-O 3.44Å |
| 871 | R | 93.7 | Very high | 91.8 | Very high | 32 Ų | 32 | 37.8 Ų | 37.8 | 12% | 0.121 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -83.5 | 133.9 | 175.8 | -172.9 | 179.2 | -60.1 | -92.1 | -11.9 | 111.1 | C839 I854 P862 P863 T864 M865 | C839-R871 VanDerWaalsContact SG-C 3.52Å; I854-R871 HydrophobicContact CB-CB 4.31Å; I854-R871 WeakPolarHBondContact CB-O 3.45Å; I854-R871 HydrophobicContact CG1-CB 4.06Å; I854-R871 HydrophobicContact CG1-CG 3.79Å; I854-R871 WeakPolarHBondContact CG1-O 3.32Å; I854-R871 PolarHBondContact N-O 3.42Å; P862-R871 WeakPolarHBondContact O-CD 3.29Å; P862-R871 PolarHBondContact O-NE 2.97Å; P863-R871 PolarHBondContact O-N 3.39Å; T864-R871 PolarHBondContact O-NE 3.34Å; T864-R871 PolarHBondContact O-NH2 3.02Å; M865-R871 HydrophobicContact CG-CB 4.43Å; M865-R871 HydrophobicContact SD-CB 4.37Å; M865-R871 HydrophobicContact SD-CG 4.02Å; M865-R871 PolarHBondContact SD-NH1 2.9Å; M865-R871 VanDerWaalsContact SD-NH1 3.44Å |
| 872 | C | 94.3 | Very high | 91.3 | Very high | 14 Ų | 14 | 37.9 Ų | 37.9 | 10% | 0.095 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 161.7 | 164.1 | -73 | 0 | 0 | 0 | 0 | 110.9 | C839 P851 I852 P853 | C839-C872 WeakPolarHBondContact CA-SG 3.27Å; C839-C872 HydrophobicContact CB-CB 4.22Å; C839-C872 WeakPolarHBondContact CB-SG 3.22Å; C839-C872 WeakPolarHBondContact SG-CB 3.49Å; C839-C872 PolarHBondContact SG-N 2.98Å; C839-C872 VanDerWaalsContact SG-N 3.4Å; C839-C872 CovalentContact SG-SG 2.04Å; C839-C872 PolarHBondContact SG-SG 2.9Å; P851-C872 HydrophobicContact CB-CB 3.63Å; I852-C872 CarbonylContact O-C 3.54Å; I852-C872 VanDerWaalsContact O-CA 3.23Å; I852-C872 WeakPolarHBondContact O-CA 3.46Å; I852-C872 WeakPolarHBondContact O-CB 3.2Å; P853-C872 VanDerWaalsContact CA-SG 3.59Å |
| 873 | M | 93.4 | Very high | 90.4 | Very high | 11 Ų | 11 | 38.8 Ų | 38.8 | 5% | 0.054 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 143.4 | 159.4 | -69.9 | 176.2 | -77.3 | 0 | 0 | 109.8 | R788 P851 I852 I854 F861 D1142 A1145 | R788-M873 HydrophobicContact CB-CE 3.8Å; R788-M873 HydrophobicContact CG-CE 3.96Å; P851-M873 WeakPolarHBondContact CA-O 3.2Å; P851-M873 WeakPolarHBondContact CB-O 3.44Å; I852-M873 HydrophobicContact CB-CB 4.36Å; I852-M873 HydrophobicContact CB-CE 4.28Å; I852-M873 HydrophobicContact CG2-CE 3.89Å; I852-M873 PolarHBondContact N-O 3.17Å; I852-M873 PolarHBondContact O-N 3.28Å; I854-M873 HydrophobicContact CD1-CE 3.85Å; I854-M873 HydrophobicContact CD1-CG 4.07Å; I854-M873 HydrophobicContact CD1-SD 4.47Å; F861-M873 HydrophobicContact CE2-SD 4.16Å; F861-M873 HydrophobicContact CZ-SD 4.44Å; M873-D1142 HydrophobicContact CE-CB 3.94Å; M873-D1142 HydrophobicContact SD-CB 3.8Å; M873-A1145 HydrophobicContact CE-CB 4.31Å |
| 874 | H | 91.9 | Very high | 89.7 | Confident | 18 Ų | 18 | 39.7 Ų | 39.7 | 8% | 0.083 | 24% | 0.239 | C | C | . | . | trans | -54.6 | 133.9 | 175.1 | -176.2 | -88.2 | 0 | 0 | 0 | 112.1 | F658 L834 E835 C836 V876 | F658-H874 AromaticContact CE1-NE2 3.78Å; F658-H874 AromaticContact CE2-CD2 3.91Å; F658-H874 AromaticContact CZ-CD2 3.44Å; F658-H874 VanDerWaalsContact CZ-CD2 3.44Å; F658-H874 WeakPolarHBondContact CZ-CD2 3.3Å; F658-H874 AromaticContact CZ-CE1 3.96Å; F658-H874 AromaticContact CZ-NE2 3.28Å; F658-H874 VanDerWaalsContact CZ-NE2 3.28Å; F658-H874 WeakPolarHBondContact CZ-NE2 3.17Å; L834-H874 PolarHBondContact O-NE2 2.74Å; E835-H874 IonicContact OE2-CD2 2.65Å; E835-H874 PolarHBondContact OE2-CD2 3.36Å; C836-H874 PolarHBondContact N-CD2 3.09Å; C836-H874 PolarHBondContact N-NE2 3.08Å; H874-V876 VanDerWaalsContact CE1-CG2 3.42Å; H874-V876 WeakPolarHBondContact CE1-CG2 3.26Å | ||
| 875 | F | 94.2 | Very high | 89.1 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 1% | 0.013 | 22% | 0.22 | C | C | . | . | trans | -156.4 | 125.2 | 167.3 | -177.5 | -81.8 | 0 | 0 | 0 | 110.7 | W850 I852 L1146 Q1149 R1150 D1153 | W850-F875 CarbonylContact C-O 3.52Å; W850-F875 HydrophobicContact CB-CD1 4.15Å; W850-F875 HydrophobicContact CE3-CE1 4.15Å; W850-F875 PolarHBondContact N-O 2.67Å; W850-F875 WeakPolarHBondContact O-CB 3.44Å; W850-F875 VanDerWaalsContact O-CD1 3.28Å; W850-F875 WeakPolarHBondContact O-CD1 3.33Å; I852-F875 HydrophobicContact CG1-CB 4.46Å; F875-L1146 HydrophobicContact CD2-CD2 3.87Å; F875-Q1149 HydrophobicContact CD1-CG 3.86Å; F875-Q1149 HydrophobicContact CD2-CB 3.95Å; F875-Q1149 HydrophobicContact CD2-CG 3.6Å; F875-Q1149 HydrophobicContact CE1-CG 3.87Å; F875-Q1149 HydrophobicContact CE2-CB 3.73Å; F875-Q1149 HydrophobicContact CE2-CG 3.59Å; F875-Q1149 HydrophobicContact CG-CG 3.74Å; F875-Q1149 HydrophobicContact CZ-CB 4.21Å; F875-Q1149 HydrophobicContact CZ-CG 3.74Å; F875-R1150 HydrophobicContact CE2-CB 4.2Å; F875-R1150 VanDerWaalsContact CE2-CZ 3.45Å; F875-R1150 VanDerWaalsContact CE2-NH2 3.34Å; F875-R1150 HydrophobicContact CZ-CB 4.38Å; F875-D1153 HydrophobicContact CE1-CB 4.07Å; F875-D1153 HydrophobicContact CZ-CB 3.94Å | ||
| 876 | V | 93 | Very high | 88.8 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -104.5 | 138 | 170.4 | -162.4 | 0 | 0 | 0 | 0 | 109.6 | M825 T826 L834 C836 H874 R1150 | M825-V876 HydrophobicContact CB-CB 4.19Å; M825-V876 HydrophobicContact CB-CG1 4.43Å; M825-V876 HydrophobicContact CE-CB 4.43Å; M825-V876 HydrophobicContact CE-CG2 4.14Å; M825-V876 HydrophobicContact SD-CB 3.92Å; M825-V876 HydrophobicContact SD-CG2 4.23Å; T826-V876 WeakPolarHBondContact O-CG1 3.41Å; L834-V876 HydrophobicContact CB-CG1 4.49Å; L834-V876 HydrophobicContact CB-CG2 4.39Å; L834-V876 HydrophobicContact CD1-CG1 3.89Å; C836-V876 HydrophobicContact CB-CG2 4.37Å; H874-V876 VanDerWaalsContact CE1-CG2 3.42Å; H874-V876 WeakPolarHBondContact CE1-CG2 3.26Å; V876-R1150 PolarHBondContact O-NH1 3.48Å; V876-R1150 PolarHBondContact O-NH2 2.05Å |
| 877 | R | 94.8 | Very high | 88.9 | Confident | 25 Ų | 25 | 29.1 Ų | 29.1 | 9% | 0.094 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -56.7 | 149 | 171.3 | -66.1 | -163.1 | 73.5 | 176.9 | 8 | 111.6 | S772 T826 S848 W850 R888 D1153 | S772-R877 PolarHBondContact O-NH1 3.28Å; S772-R877 PolarHBondContact O-NH2 3Å; T826-R877 PolarHBondContact N-O 3.02Å; T826-R877 VanDerWaalsContact N-O 3.07Å; T826-R877 PolarHBondContact OG1-O 2.87Å; S848-R877 WeakPolarHBondContact O-CB 3.5Å; S848-R877 WeakPolarHBondContact O-CG 3.42Å; S848-R877 PolarHBondContact O-N 3.02Å; W850-R877 HydrophobicContact CB-CG 4.17Å; R877-R888 VanDerWaalsContact NH2-CD 3.3Å; R877-D1153 WeakPolarHBondContact CA-OD2 3.16Å; R877-D1153 IonicContact CZ-OD1 3.15Å; R877-D1153 IonicContact NE-OD1 3.92Å; R877-D1153 PolarHBondContact NE-OD1 3.2Å; R877-D1153 PolarHBondContact NH2-O 2.69Å; R877-D1153 IonicContact NH2-OD1 3Å; R877-D1153 PolarHBondContact NH2-OD1 2.94Å; R877-D1153 VanDerWaalsContact NH2-OD1 3.08Å |
| 878 | S | 94.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.007 | 14% | 0.143 | C | C | . | . | B | Isolated β-bridge | trans | -68.7 | 146.4 | 177.5 | -69.7 | 0 | 0 | 0 | 0 | 112.5 | R888 R1150 D1153 H1154 | S878-R888 PolarHBondContact O-NH2 3.02Å; S878-R1150 VanDerWaalsContact N-NH1 3.19Å; S878-R1150 WeakPolarHBondContact OG-CD 3.32Å; S878-R1150 PolarHBondContact OG-NH1 3.28Å; S878-D1153 WeakPolarHBondContact CB-OD2 3.22Å; S878-D1153 PolarHBondContact N-OD2 2.95Å; S878-D1153 PolarHBondContact OG-OD2 3.2Å; S878-H1154 WeakPolarHBondContact CB-NE2 3.25Å; S878-H1154 PolarHBondContact OG-CD2 2.66Å; S878-H1154 PolarHBondContact OG-NE2 3.12Å |
| 879 | L | 90.2 | Very high | 89.2 | Confident | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 145.9 | 172.7 | -158.6 | 70.8 | 0 | 0 | 0 | 110.8 | E670 A674 P824 Q890 L891 | E670-L879 HydrophobicContact CB-CD2 3.93Å; A674-L879 HydrophobicContact CB-CD1 3.48Å; A674-L879 VanDerWaalsContact CB-CD1 3.48Å; A674-L879 HydrophobicContact CB-CD2 4Å; A674-L879 HydrophobicContact CB-CG 3.66Å; P824-L879 HydrophobicContact CB-CB 4.39Å; P824-L879 HydrophobicContact CB-CD2 4.29Å; P824-L879 HydrophobicContact CG-CB 3.99Å; P824-L879 HydrophobicContact CG-CD2 3.81Å; P824-L879 WeakPolarHBondContact O-CB 3.45Å; P824-L879 PolarHBondContact O-N 3.17Å; L879-Q890 WeakPolarHBondContact O-CA 3.4Å; L879-L891 HydrophobicContact CD2-CD2 4.11Å; L879-L891 PolarHBondContact O-N 2.77Å |
| 880 | I | 91 | Very high | 89.4 | Confident | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | B | Isolated β-bridge | trans | -110 | 160.2 | -177.8 | 57.3 | 165.3 | 0 | 0 | 0 | 112.6 | A674 A677 D678 L681 R888 E889 | A674-I880 WeakPolarHBondContact CA-O 3.36Å; A677-I880 HydrophobicContact CB-CB 4.27Å; A677-I880 HydrophobicContact CB-CD1 3.73Å; A677-I880 HydrophobicContact CB-CG1 3.68Å; D678-I880 VanDerWaalsContact OD1-CD1 3.25Å; D678-I880 WeakPolarHBondContact OD1-CD1 3.38Å; L681-I880 HydrophobicContact CB-CD1 4.34Å; L681-I880 HydrophobicContact CD2-CD1 4.01Å; I880-R888 HydrophobicContact CG2-CG 3.5Å; I880-R888 VanDerWaalsContact CG2-CG 3.5Å; I880-E889 VanDerWaalsContact CA-O 3.25Å; I880-E889 WeakPolarHBondContact CA-O 3.31Å; I880-E889 VanDerWaalsContact CB-O 3.27Å; I880-E889 WeakPolarHBondContact CB-O 3.17Å; I880-E889 WeakPolarHBondContact CG2-O 3.04Å |
| 881 | G | 83.9 | Confident | 89.3 | Confident | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.01 | 8% | 0.082 | C | C | . | . | trans | -142 | 10.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | P758 L883 E889 | P758-G881 VanDerWaalsContact CG-O 3.23Å; P758-G881 WeakPolarHBondContact CG-O 3.45Å; G881-L883 PolarHBondContact O-N 3.03Å; G881-E889 PolarHBondContact N-O 3.38Å | ||
| 882 | Q | 82.3 | Confident | 89.2 | Confident | 7 Ų | 7 | 14.8 Ų | 14.8 | 3% | 0.033 | 8% | 0.076 | C | C | . | . | trans | -61.9 | 131.4 | -179.1 | 65.3 | -148.4 | 71.4 | 0 | 0 | 112.1 | A677 Y887 E889 | A677-Q882 WeakPolarHBondContact CA-O 3.19Å; A677-Q882 HydrophobicContact CB-CG 3.9Å; A677-Q882 WeakPolarHBondContact CB-O 3.43Å; Q882-Y887 PolarHBondContact NE2-O 3.13Å; Q882-Y887 PolarHBondContact OE1-O 3.44Å; Q882-E889 HydrophobicContact CB-CB 4.35Å | ||
| 883 | L | 76.5 | Confident | 89 | Confident | 63 Ų | 63 | 14.4 Ų | 14.4 | 33% | 0.33 | 7% | 0.073 | S | C | . | . | trans | -110.7 | 20.3 | 177.2 | -58.4 | 179.5 | 0 | 0 | 0 | 112 | T676 L680 T718 G881 | T676-L883 HydrophobicContact CG2-CD2 4.33Å; L680-L883 VanDerWaalsContact CD1-C 3.49Å; T718-L883 HydrophobicContact CG2-CD1 4.12Å; G881-L883 PolarHBondContact O-N 3.03Å | ||
| 884 | T | 78.2 | Confident | 89 | Confident | 62 Ų | 62 | 14.1 Ų | 14.1 | 38% | 0.38 | 7% | 0.072 | S | C | . | . | S | Bend | trans | -142.8 | 161.1 | 176.3 | 57.7 | 0 | 0 | 0 | 0 | 109.8 | ||
| 885 | L | 80.8 | Confident | 89.2 | Confident | 3 Ų | 3 | 13.3 Ų | 13.3 | 2% | 0.016 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -59.2 | 147.3 | 165.1 | -63.8 | 168.5 | 0 | 0 | 0 | 110.3 | I629 A683 T684 L687 G704 L707 | I629-L885 HydrophobicContact CG2-CD1 4.48Å; A683-L885 HydrophobicContact CB-CD2 3.86Å; T684-L885 VanDerWaalsContact OG1-CA 3.25Å; T684-L885 WeakPolarHBondContact OG1-CA 3.21Å; T684-L885 WeakPolarHBondContact OG1-CB 3.22Å; T684-L885 VanDerWaalsContact OG1-CD2 3.29Å; T684-L885 WeakPolarHBondContact OG1-CD2 3.48Å; L687-L885 HydrophobicContact CD1-CD1 3.54Å; L687-L885 HydrophobicContact CD1-CD2 4.17Å; L687-L885 HydrophobicContact CD1-CG 4.49Å; G704-L885 VanDerWaalsContact CA-O 3.32Å; G704-L885 WeakPolarHBondContact CA-O 3.42Å; L707-L885 HydrophobicContact CD1-CD1 3.82Å; L707-L885 HydrophobicContact CD1-CG 3.74Å; L707-L885 HydrophobicContact CG-CD1 3.85Å; L707-L885 HydrophobicContact CG-CG 4.27Å |
| 886 | G | 83 | Confident | 89.4 | Confident | 9 Ų | 9 | 13.1 Ų | 13.1 | 9% | 0.093 | 7% | 0.067 | C | C | . | . | S | Bend | trans | 149.5 | -160.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | T684 | T684-G886 PolarHBondContact OG1-N 2.62Š|
| 887 | Y | 88.3 | Confident | 89.6 | Confident | 44 Ų | 44 | 13.1 Ų | 13.1 | 17% | 0.173 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -63.7 | 160.9 | 176.2 | -53 | -86.1 | 0 | 0 | 0 | 112 | V700 T701 P765 G770 F771 Q882 E889 | V700-Y887 HydrophobicContact CB-CD1 4.39Å; V700-Y887 HydrophobicContact CB-CE1 3.84Å; V700-Y887 HydrophobicContact CB-CE2 4.33Å; V700-Y887 HydrophobicContact CG1-CD1 3.79Å; V700-Y887 HydrophobicContact CG1-CD2 4.03Å; V700-Y887 HydrophobicContact CG1-CE1 3.74Å; V700-Y887 HydrophobicContact CG1-CE2 3.97Å; V700-Y887 HydrophobicContact CG1-CG 3.93Å; V700-Y887 HydrophobicContact CG2-CE1 4.01Å; T701-Y887 PolarHBondContact OG1-OH 2.76Å; P765-Y887 HydrophobicContact CG-CD1 3.63Å; P765-Y887 HydrophobicContact CG-CD2 4.08Å; P765-Y887 HydrophobicContact CG-CE1 4.25Å; P765-Y887 HydrophobicContact CG-CG 3.53Å; G770-Y887 WeakPolarHBondContact O-CD1 3.41Å; G770-Y887 VanDerWaalsContact O-CE1 3.25Å; G770-Y887 WeakPolarHBondContact O-CE1 3.44Å; F771-Y887 WeakPolarHBondContact O-CA 3.27Å; Q882-Y887 PolarHBondContact NE2-O 3.13Å; Q882-Y887 PolarHBondContact OE1-O 3.44Å; Y887-E889 PolarHBondContact O-N 3.14Å |
| 888 | R | 92.7 | Very high | 89.7 | Confident | 11 Ų | 11 | 12 Ų | 12 | 4% | 0.042 | 6% | 0.063 | C | C | . | . | trans | -65.7 | 118.9 | 171.8 | -168 | -176.5 | 176.7 | 81 | 1.7 | 111.2 | D678 L681 R761 Y767 F771 R877 S878 I880 | D678-R888 IonicContact OD1-NH1 3.78Å; L681-R888 HydrophobicContact CD1-CB 3.8Å; L681-R888 HydrophobicContact CD1-CG 4.27Å; L681-R888 HydrophobicContact CD2-CG 4.2Å; R761-R888 PolarHBondContact NH2-O 3.24Å; Y767-R888 HydrophobicContact CE2-CB 3.93Å; Y767-R888 WeakPolarHBondContact CE2-O 3.15Å; Y767-R888 PolarHBondContact OH-O 3.1Å; F771-R888 PolarHBondContact O-N 2.81Å; R877-R888 VanDerWaalsContact NH2-CD 3.3Å; S878-R888 PolarHBondContact O-NH2 3.02Å; I880-R888 HydrophobicContact CG2-CG 3.5Å; I880-R888 VanDerWaalsContact CG2-CG 3.5Å | ||
| 889 | E | 92.9 | Very high | 89.9 | Confident | 34 Ų | 34 | 12.1 Ų | 12.1 | 16% | 0.159 | 6% | 0.064 | C | C | . | . | trans | -124 | 124.5 | -179.6 | -63.6 | -62.3 | 174.7 | 0 | 0 | 113.5 | P758 R761 I880 G881 Q882 Y887 | P758-E889 HydrophobicContact CB-CB 4.32Å; R761-E889 IonicContact CZ-OE1 2.76Å; R761-E889 IonicContact CZ-OE2 2.71Å; R761-E889 IonicContact NE-OE1 3.42Å; R761-E889 PolarHBondContact NE-OE1 3Å; R761-E889 IonicContact NE-OE2 3.21Å; R761-E889 PolarHBondContact NE-OE2 3.48Å; R761-E889 IonicContact NH2-OE1 3.77Å; R761-E889 IonicContact NH2-OE2 3.8Å; R761-E889 PolarHBondContact NH2-OE2 3.32Å; I880-E889 VanDerWaalsContact CA-O 3.25Å; I880-E889 WeakPolarHBondContact CA-O 3.31Å; I880-E889 VanDerWaalsContact CB-O 3.27Å; I880-E889 WeakPolarHBondContact CB-O 3.17Å; I880-E889 WeakPolarHBondContact CG2-O 3.04Å; G881-E889 PolarHBondContact N-O 3.38Å; Q882-E889 HydrophobicContact CB-CB 4.35Å; Y887-E889 PolarHBondContact O-N 3.14Å | ||
| 890 | Q | 94 | Very high | 90.3 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.064 | C | C | . | . | B | Isolated β-bridge | trans | -79.5 | 146.7 | -173 | -65.8 | 76.1 | 26.8 | 0 | 0 | 113.2 | P758 F759 Y767 T823 L879 N1051 D1153 | P758-Q890 WeakPolarHBondContact CA-O 3.5Å; F759-Q890 HydrophobicContact CD2-CB 4.2Å; F759-Q890 VanDerWaalsContact CD2-O 3.28Å; F759-Q890 WeakPolarHBondContact CD2-O 3.08Å; F759-Q890 HydrophobicContact CE2-CB 4.4Å; F759-Q890 PolarHBondContact N-O 3.41Å; Y767-Q890 PolarHBondContact OH-NE2 3.44Å; T823-Q890 HydrophobicContact CG2-CB 4.14Å; L879-Q890 WeakPolarHBondContact O-CA 3.4Å; Q890-N1051 PolarHBondContact OE1-ND2 3.29Å; Q890-D1153 PolarHBondContact NE2-O 2.89Å |
| 891 | L | 91.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 138.8 | -178.9 | -167.3 | 75.5 | 0 | 0 | 0 | 112.2 | E670 I673 F759 P824 L879 | E670-L891 HydrophobicContact CB-CD2 4.49Å; E670-L891 HydrophobicContact CG-CD2 4.3Å; I673-L891 HydrophobicContact CG2-CD1 4.01Å; F759-L891 VanDerWaalsContact CE2-O 3.32Å; F759-L891 WeakPolarHBondContact CE2-O 3.46Å; P824-L891 HydrophobicContact CG-CD2 4.12Å; L879-L891 HydrophobicContact CD2-CD2 4.11Å; L879-L891 PolarHBondContact O-N 2.77Å |
| 892 | N | 93.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 121.7 | 158.7 | -166.6 | 16.2 | 0 | 0 | 0 | 109.2 | F756 S757 F759 M820 H822 L894 | F756-N892 VanDerWaalsContact CA-O 3.23Å; F756-N892 WeakPolarHBondContact CA-O 3.29Å; F756-N892 PolarHBondContact N-O 3.18Å; S757-N892 PolarHBondContact N-O 2.96Å; S757-N892 PolarHBondContact O-N 3.37Å; F759-N892 HydrophobicContact CD1-CB 4.08Å; F759-N892 HydrophobicContact CE1-CB 3.59Å; F759-N892 HydrophobicContact CE2-CB 4.08Å; F759-N892 HydrophobicContact CZ-CB 3.58Å; M820-N892 PolarHBondContact O-ND2 3Å; H822-N892 PolarHBondContact N-OD1 3.14Å; H822-N892 WeakPolarHBondContact O-CA 3.4Å; H822-N892 PolarHBondContact O-OD1 3.05Å; N892-L894 PolarHBondContact ND2-O 3.03Å |
| 893 | Q | 89.5 | Confident | 91.9 | Very high | 7 Ų | 7 | 11.9 Ų | 11.9 | 3% | 0.033 | 6% | 0.062 | C | C | . | . | trans | -86 | -6.8 | 178 | 66.3 | 162.8 | -48.8 | 0 | 0 | 114.1 | F756 H822 P824 | F756-Q893 HydrophobicContact CD1-CB 4.1Å; F756-Q893 HydrophobicContact CE1-CB 3.94Å; H822-Q893 HydrophobicContact CB-CG 3.7Å; H822-Q893 PolarHBondContact CD2-NE2 2.9Å; H822-Q893 VanDerWaalsContact CD2-NE2 3.29Å; H822-Q893 PolarHBondContact CE1-NE2 3.02Å; H822-Q893 PolarHBondContact ND1-NE2 2.9Å; H822-Q893 PolarHBondContact NE2-NE2 3.32Å; H822-Q893 PolarHBondContact O-N 3.1Å; P824-Q893 HydrophobicContact CG-CB 4.47Å | ||
| 894 | L | 93.7 | Very high | 92.9 | Very high | 5 Ų | 5 | 8.9 Ų | 8.9 | 3% | 0.026 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -102.1 | 161.1 | 177.3 | -58.2 | -175.1 | 0 | 0 | 0 | 112.7 | A755 H818 H822 N892 S906 | A755-L894 WeakPolarHBondContact CA-O 3.36Å; H818-L894 WeakPolarHBondContact O-CD1 3.43Å; H822-L894 HydrophobicContact CB-CD1 3.93Å; H822-L894 HydrophobicContact CB-CG 3.78Å; N892-L894 PolarHBondContact ND2-O 3.03Å; L894-S906 WeakPolarHBondContact CA-OG 3.41Å; L894-S906 WeakPolarHBondContact CD2-OG 3.49Å |
| 895 | T | 96.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.029 | C | C | . | . | trans | -57.8 | 147.4 | 162.3 | 46.5 | 0 | 0 | 0 | 0 | 109.9 | T741 A755 M820 Y897 D899 S901 S906 | T741-T895 VanDerWaalsContact C-CG2 3.48Å; A755-T895 HydrophobicContact CB-CG2 4.3Å; M820-T895 WeakPolarHBondContact CA-O 3.24Å; T895-Y897 VanDerWaalsContact C-N 3.3Å; T895-D899 PolarHBondContact OG1-OD1 3.46Å; T895-S901 WeakPolarHBondContact OG1-CB 3.29Å; T895-S901 PolarHBondContact OG1-OG 2.9Å; T895-S906 PolarHBondContact N-OG 2.89Å | ||
| 896 | S | 97.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.03 | C | C | . | . | S | Bend | trans | -81.6 | -13.1 | 174.3 | -63.2 | 0 | 0 | 0 | 0 | 113 | G753 I1049 L1231 | G753-S896 PolarHBondContact O-N 2.98Å; S896-I1049 PolarHBondContact OG-N 3.36Å; S896-L1231 WeakPolarHBondContact O-CD2 3.42Å |
| 897 | Y | 97.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 5.8 Ų | 5.8 | 0% | 0.004 | 3% | 0.026 | C | C | . | . | S | Bend | trans | -82 | 150 | -174.6 | -61.7 | -69.4 | 0 | 0 | 0 | 111.7 | N745 N752 T895 D899 A1047 D1235 | N745-Y897 HydrophobicContact CB-CD2 4.46Å; N745-Y897 HydrophobicContact CB-CE1 4.49Å; N745-Y897 HydrophobicContact CB-CE2 3.59Å; N745-Y897 WeakPolarHBondContact CB-OH 3.33Å; N745-Y897 WeakPolarHBondContact ND2-CD2 3.49Å; N745-Y897 VanDerWaalsContact ND2-CE1 3.29Å; N745-Y897 WeakPolarHBondContact ND2-CE1 3.45Å; N745-Y897 VanDerWaalsContact ND2-CE2 3.25Å; N745-Y897 WeakPolarHBondContact ND2-CE2 3.25Å; N752-Y897 PolarHBondContact O-OH 3.11Å; N752-Y897 VanDerWaalsContact O-OH 3.09Å; T895-Y897 VanDerWaalsContact C-N 3.3Å; Y897-D899 VanDerWaalsContact C-N 3.26Å; Y897-D899 WeakPolarHBondContact CB-OD2 3.32Å; Y897-D899 PolarHBondContact O-N 2.88Å; Y897-A1047 HydrophobicContact CD1-CB 4.32Å; Y897-A1047 HydrophobicContact CE1-CB 3.49Å; Y897-A1047 VanDerWaalsContact CE1-CB 3.49Å; Y897-D1235 HydrophobicContact CD1-CB 3.76Å; Y897-D1235 HydrophobicContact CE1-CB 3.87Å |
| 898 | I | 98.2 | Very high | 94.5 | Very high | 3 Ų | 3 | 5.6 Ų | 5.6 | 2% | 0.015 | 3% | 0.028 | C | C | . | . | S | Bend | trans | -78.2 | 85.8 | 164.4 | -59.1 | 166 | 0 | 0 | 0 | 106.7 | L816 D819 M820 M1007 Q1008 T1011 F1012 M1228 L1231 | L816-I898 HydrophobicContact CD1-CD1 4.16Å; L816-I898 HydrophobicContact CD1-CG1 4.05Å; L816-I898 HydrophobicContact CD1-CG2 4.1Å; D819-I898 VanDerWaalsContact OD2-CA 3.32Å; D819-I898 WeakPolarHBondContact OD2-CA 3.17Å; M820-I898 HydrophobicContact CG-CG1 4.13Å; M820-I898 HydrophobicContact SD-CD1 4.12Å; M820-I898 HydrophobicContact SD-CG1 3.6Å; M820-I898 VanDerWaalsContact SD-CG1 3.6Å; I898-M1007 HydrophobicContact CG2-CG 4.19Å; I898-M1007 HydrophobicContact CG2-SD 4.48Å; I898-Q1008 HydrophobicContact CB-CG 4.08Å; I898-Q1008 HydrophobicContact CG2-CG 3.88Å; I898-Q1008 VanDerWaalsContact O-CG 3.26Å; I898-Q1008 WeakPolarHBondContact O-CG 3.45Å; I898-Q1008 PolarHBondContact O-NE2 2.68Å; I898-T1011 HydrophobicContact CD1-CG2 4.24Å; I898-F1012 HydrophobicContact CD1-CE2 3.95Å; I898-M1228 HydrophobicContact CD1-SD 4.47Å; I898-L1231 HydrophobicContact CD1-CD1 4.22Å; I898-L1231 HydrophobicContact CG1-CD1 4.33Å |
| 899 | D | 97.6 | Very high | 94.3 | Very high | 3 Ų | 3 | 6.5 Ų | 6.5 | 2% | 0.016 | 4% | 0.036 | C | C | . | . | S | Bend | trans | -131.2 | 17.2 | -178.6 | 61.7 | 18.7 | 0 | 0 | 0 | 115.9 | R738 D819 T895 Y897 S901 | R738-D899 VanDerWaalsContact CD-CB 3.43Å; R738-D899 WeakPolarHBondContact CD-OD2 3.48Å; R738-D899 IonicContact CZ-OD2 3.49Å; R738-D899 IonicContact NE-OD2 2.69Å; R738-D899 IonicContact NH1-OD2 3.73Å; R738-D899 PolarHBondContact NH1-OD2 3.28Å; R738-D899 VanDerWaalsContact NH1-OD2 3.14Å; D819-D899 PolarHBondContact OD2-N 2.76Å; D819-D899 VanDerWaalsContact OD2-N 3.15Å; T895-D899 PolarHBondContact OG1-OD1 3.46Å; Y897-D899 VanDerWaalsContact C-N 3.26Å; Y897-D899 WeakPolarHBondContact CB-OD2 3.32Å; Y897-D899 PolarHBondContact O-N 2.88Å; D899-S901 VanDerWaalsContact C-N 3.28Å; D899-S901 PolarHBondContact O-N 2.98Å |
| 900 | A | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 4% | 0.036 | C | C | . | . | trans | 61.2 | 34.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | D819 N902 V903 Y904 I1003 M1007 | D819-A900 WeakPolarHBondContact OD1-CA 3.22Å; D819-A900 PolarHBondContact OD1-N 3.44Å; D819-A900 PolarHBondContact OD2-N 3.47Å; A900-N902 WeakPolarHBondContact CA-OD1 3.42Å; A900-N902 PolarHBondContact O-N 3.27Å; A900-V903 HydrophobicContact CB-CB 4.33Å; A900-V903 CarbonylContact O-C 3.6Å; A900-V903 WeakPolarHBondContact O-CA 3.15Å; A900-V903 WeakPolarHBondContact O-CB 3.18Å; A900-V903 PolarHBondContact O-N 2.81Å; A900-Y904 HydrophobicContact CB-CD2 3.89Å; A900-Y904 HydrophobicContact CB-CE2 3.76Å; A900-Y904 WeakPolarHBondContact O-CD2 3.34Å; A900-Y904 PolarHBondContact O-N 2.81Å; A900-I1003 HydrophobicContact CB-CG2 4.22Å; A900-M1007 HydrophobicContact CB-CE 3.49Å; A900-M1007 VanDerWaalsContact CB-CE 3.49Å; A900-M1007 HydrophobicContact CB-SD 4.11Å | ||
| 901 | S | 97.4 | Very high | 94 | Very high | 2 Ų | 2 | 6.3 Ų | 6.3 | 1% | 0.014 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -56.5 | -27.8 | 166.2 | 84.2 | 0 | 0 | 0 | 0 | 111.8 | D819 T895 D899 V903 Y904 G905 S906 G955 | D819-S901 PolarHBondContact O-OG 3.43Å; D819-S901 PolarHBondContact OD1-N 3.43Å; D819-S901 PolarHBondContact OD1-OG 2.79Å; T895-S901 WeakPolarHBondContact OG1-CB 3.29Å; T895-S901 PolarHBondContact OG1-OG 2.9Å; D899-S901 VanDerWaalsContact C-N 3.28Å; D899-S901 PolarHBondContact O-N 2.98Å; S901-V903 PolarHBondContact O-N 3.22Å; S901-Y904 PolarHBondContact O-N 2.85Å; S901-G905 VanDerWaalsContact O-CA 3.27Å; S901-G905 WeakPolarHBondContact O-CA 3.49Å; S901-G905 PolarHBondContact O-N 2.82Å; S901-S906 WeakPolarHBondContact CB-OG 3.32Å; S901-S906 PolarHBondContact OG-OG 3.01Å; S901-G955 CarbonylContact O-C 3.53Å; S901-G955 VanDerWaalsContact O-C 3.3Å; S901-G955 VanDerWaalsContact O-CA 3.22Å; S901-G955 WeakPolarHBondContact O-CA 3.4Å |
| 902 | N | 96.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -60.7 | -19.4 | 168.6 | 62.8 | 6 | 0 | 0 | 0 | 114.6 | F815 H818 D819 A900 G955 D956 H969 | F815-N902 WeakPolarHBondContact CE2-ND2 3.25Å; F815-N902 WeakPolarHBondContact CZ-ND2 3.27Å; F815-N902 PolarHBondContact O-ND2 2.97Å; H818-N902 WeakPolarHBondContact O-CB 3.42Å; D819-N902 HydrophobicContact CB-CB 4.26Å; D819-N902 PolarHBondContact OD1-N 2.93Å; D819-N902 VanDerWaalsContact OD1-N 3.17Å; A900-N902 WeakPolarHBondContact CA-OD1 3.42Å; A900-N902 PolarHBondContact O-N 3.27Å; N902-G955 WeakPolarHBondContact O-CA 3.32Å; N902-G955 PolarHBondContact O-N 2.85Å; N902-G955 VanDerWaalsContact O-N 3.09Å; N902-D956 HydrophobicContact CB-CB 4.28Å; N902-D956 PolarHBondContact O-N 3.38Å; N902-H969 PolarHBondContact O-CE1 3.44Å; N902-H969 PolarHBondContact O-ND1 3.49Å |
| 903 | V | 97.5 | Very high | 93.9 | Very high | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.012 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -107.5 | -37.1 | 177.4 | 170.9 | 0 | 0 | 0 | 0 | 111.6 | F815 A900 S901 L922 F972 V973 | F815-V903 HydrophobicContact CZ-CG2 4.14Å; A900-V903 HydrophobicContact CB-CB 4.33Å; A900-V903 CarbonylContact O-C 3.6Å; A900-V903 WeakPolarHBondContact O-CA 3.15Å; A900-V903 WeakPolarHBondContact O-CB 3.18Å; A900-V903 PolarHBondContact O-N 2.81Å; S901-V903 PolarHBondContact O-N 3.22Å; V903-L922 HydrophobicContact CG1-CD1 3.82Å; V903-F972 HydrophobicContact CG2-CB 3.73Å; V903-V973 HydrophobicContact CG1-CG2 4.04Å |
| 904 | Y | 97.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 0% | 0.004 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -103 | -13 | -172.4 | -61.4 | -62.5 | 0 | 0 | 0 | 115.5 | A900 S901 A911 L922 H976 Y996 R1000 I1003 | A900-Y904 HydrophobicContact CB-CD2 3.89Å; A900-Y904 HydrophobicContact CB-CE2 3.76Å; A900-Y904 WeakPolarHBondContact O-CD2 3.34Å; A900-Y904 PolarHBondContact O-N 2.81Å; S901-Y904 PolarHBondContact O-N 2.85Å; Y904-A911 WeakPolarHBondContact O-CA 3.39Å; Y904-A911 WeakPolarHBondContact O-CB 3.29Å; Y904-L922 HydrophobicContact CD1-CD1 4.36Å; Y904-L922 HydrophobicContact CD1-CD2 4.19Å; Y904-L922 HydrophobicContact CE1-CD1 3.95Å; Y904-L922 HydrophobicContact CE1-CD2 4.31Å; Y904-L922 HydrophobicContact CE1-CG 4.41Å; Y904-H976 AromaticContact CE1-CE1 3.68Å; Y904-H976 AromaticContact CE1-ND1 3.36Å; Y904-H976 WeakPolarHBondContact CE1-ND1 3.45Å; Y904-H976 AromaticContact CZ-ND1 3.51Å; Y904-H976 PolarHBondContact OH-ND1 2.81Å; Y904-Y996 HydrophobicContact CD1-CE2 4.04Å; Y904-Y996 HydrophobicContact CE1-CE2 4.23Å; Y904-R1000 HydrophobicContact CD1-CG 4.33Å; Y904-R1000 HydrophobicContact CD2-CB 4.49Å; Y904-R1000 HydrophobicContact CD2-CG 3.72Å; Y904-R1000 HydrophobicContact CE1-CB 4.08Å; Y904-R1000 HydrophobicContact CE1-CG 4.28Å; Y904-R1000 HydrophobicContact CE2-CB 4.08Å; Y904-R1000 HydrophobicContact CE2-CG 3.67Å; Y904-R1000 HydrophobicContact CG-CG 4.08Å; Y904-I1003 HydrophobicContact CE2-CB 4.37Å; Y904-I1003 HydrophobicContact CE2-CG2 4Å; Y904-I1003 VanDerWaalsContact OH-CB 3.22Å; Y904-I1003 WeakPolarHBondContact OH-CB 3.39Å; Y904-I1003 WeakPolarHBondContact OH-CG1 3.39Å; Y904-I1003 VanDerWaalsContact OH-CG2 3.31Å; Y904-I1003 WeakPolarHBondContact OH-CG2 3.5Å |
| 905 | G | 93.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.01 | 8% | 0.083 | C | C | . | . | trans | 85.3 | 157.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I740 S901 | I740-G905 VanDerWaalsContact CG2-O 3.26Å; I740-G905 WeakPolarHBondContact CG2-O 3.38Å; S901-G905 VanDerWaalsContact O-CA 3.27Å; S901-G905 WeakPolarHBondContact O-CA 3.49Å; S901-G905 PolarHBondContact O-N 2.82Å | ||
| 906 | S | 92.9 | Very high | 94.1 | Very high | 3 Ų | 3 | 17.6 Ų | 17.6 | 2% | 0.021 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -100.4 | 6.9 | 176.6 | -65.2 | 0 | 0 | 0 | 0 | 113.9 | L894 T895 S901 | L894-S906 WeakPolarHBondContact CA-OG 3.41Å; L894-S906 WeakPolarHBondContact CD2-OG 3.49Å; T895-S906 PolarHBondContact N-OG 2.89Å; S901-S906 WeakPolarHBondContact CB-OG 3.32Å; S901-S906 PolarHBondContact OG-OG 3.01Å |
| 907 | N | 88.2 | Confident | 94 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -144.2 | 157.3 | 171.8 | 86.8 | 27.8 | 0 | 0 | 0 | 112.6 | C724 N725 I740 F756 C909 T910 A911 | C724-N907 WeakPolarHBondContact O-CB 3.28Å; N725-N907 WeakPolarHBondContact OD1-CB 3.39Å; I740-N907 VanDerWaalsContact CG2-C 3.45Å; I740-N907 WeakPolarHBondContact CG2-O 3.43Å; F756-N907 HydrophobicContact CE2-CB 4.03Å; F756-N907 HydrophobicContact CZ-CB 4.38Å; N907-C909 PolarHBondContact O-N 2.94Å; N907-C909 VanDerWaalsContact O-N 3.16Å; N907-C909 PolarHBondContact OD1-N 2.96Å; N907-T910 PolarHBondContact O-N 2.77Å; N907-T910 PolarHBondContact OD1-N 3.02Å; N907-T910 PolarHBondContact OD1-OG1 2.95Å; N907-A911 WeakPolarHBondContact O-CB 2.98Å; N907-A911 PolarHBondContact O-N 2.83Å |
| 908 | D | 89.8 | Confident | 93.9 | Very high | 41 Ų | 41 | 26.2 Ų | 26.2 | 22% | 0.219 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.9 | -23.7 | -171.2 | -56.6 | -45.7 | 0 | 0 | 0 | 113.3 | C724 R726 I740 S912 | C724-D908 WeakPolarHBondContact O-CB 3.22Å; C724-D908 PolarHBondContact O-N 3.1Å; R726-D908 WeakPolarHBondContact CB-OD2 3.39Å; R726-D908 WeakPolarHBondContact CD-OD2 3.46Å; R726-D908 VanDerWaalsContact CG-OD2 3.25Å; R726-D908 WeakPolarHBondContact CG-OD2 3.29Å; R726-D908 PolarHBondContact N-OD2 2.67Å; R726-D908 VanDerWaalsContact N-OD2 3.14Å; I740-D908 WeakPolarHBondContact CG1-OD1 3.29Å; D908-S912 WeakPolarHBondContact O-CB 3.35Å; D908-S912 PolarHBondContact O-N 3.18Å; D908-S912 VanDerWaalsContact O-N 3.14Å |
| 909 | C | 87.7 | Confident | 93.7 | Very high | 30 Ų | 30 | 29.1 Ų | 29.1 | 20% | 0.203 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -82.4 | -48.1 | 178.1 | -69.7 | 0 | 0 | 0 | 0 | 111.6 | C724 N907 A911 S912 D913 | C724-C909 WeakPolarHBondContact CA-SG 3.27Å; C724-C909 HydrophobicContact CB-CB 3.63Å; C724-C909 WeakPolarHBondContact CB-SG 3.25Å; C724-C909 WeakPolarHBondContact SG-CB 3.49Å; C724-C909 CovalentContact SG-SG 2.03Å; C724-C909 PolarHBondContact SG-SG 2.83Å; N907-C909 PolarHBondContact O-N 2.94Å; N907-C909 VanDerWaalsContact O-N 3.16Å; N907-C909 PolarHBondContact OD1-N 2.96Å; C909-A911 PolarHBondContact O-N 2.83Å; C909-S912 CarbonylContact O-C 3.44Å; C909-S912 WeakPolarHBondContact O-CA 3.37Å; C909-S912 VanDerWaalsContact O-CB 3.28Å; C909-S912 WeakPolarHBondContact O-CB 3.32Å; C909-S912 PolarHBondContact O-N 3.28Å; C909-D913 VanDerWaalsContact O-CG 3.25Å; C909-D913 PolarHBondContact O-N 3.09Å |
| 910 | T | 88.6 | Confident | 93.6 | Very high | 24 Ų | 24 | 29 Ų | 29 | 15% | 0.147 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.2 | -39.8 | 171.9 | -56.2 | 0 | 0 | 0 | 0 | 111 | K667 N907 S912 D913 L914 | K667-T910 PolarHBondContact NZ-OG1 2.9Å; K667-T910 VanDerWaalsContact NZ-OG1 3.08Å; N907-T910 PolarHBondContact O-N 2.77Å; N907-T910 PolarHBondContact OD1-N 3.02Å; N907-T910 PolarHBondContact OD1-OG1 2.95Å; T910-S912 VanDerWaalsContact C-N 3.28Å; T910-S912 PolarHBondContact O-N 2.66Å; T910-D913 PolarHBondContact O-N 3.31Å; T910-L914 HydrophobicContact CG2-CD1 3.92Å; T910-L914 WeakPolarHBondContact O-CB 3.25Å; T910-L914 WeakPolarHBondContact O-CD1 3.41Å; T910-L914 VanDerWaalsContact O-CG 3.24Å; T910-L914 WeakPolarHBondContact O-CG 3.29Å; T910-L914 PolarHBondContact O-N 3.25Å; T910-L914 VanDerWaalsContact O-N 3.14Å |
| 911 | A | 93 | Very high | 93.6 | Very high | 5 Ų | 5 | 29.5 Ų | 29.5 | 4% | 0.041 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.5 | -24.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | I740 Y904 N907 C909 R915 | I740-A911 HydrophobicContact CB-CB 4.48Å; I740-A911 HydrophobicContact CD1-CB 3.8Å; I740-A911 HydrophobicContact CG1-CB 3.91Å; I740-A911 HydrophobicContact CG2-CB 3.77Å; Y904-A911 WeakPolarHBondContact O-CA 3.39Å; Y904-A911 WeakPolarHBondContact O-CB 3.29Å; N907-A911 WeakPolarHBondContact O-CB 2.98Å; N907-A911 PolarHBondContact O-N 2.83Å; C909-A911 PolarHBondContact O-N 2.83Å; A911-R915 VanDerWaalsContact O-CD 3.26Å; A911-R915 WeakPolarHBondContact O-CD 3.32Å; A911-R915 VanDerWaalsContact O-CG 3.27Å; A911-R915 WeakPolarHBondContact O-CG 3.44Å |
| 912 | S | 92.5 | Very high | 93.5 | Very high | 47 Ų | 47 | 29.6 Ų | 29.6 | 33% | 0.329 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -75.4 | -49.8 | 171.8 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | D908 C909 T910 L914 R915 F917 | D908-S912 WeakPolarHBondContact O-CB 3.35Å; D908-S912 PolarHBondContact O-N 3.18Å; D908-S912 VanDerWaalsContact O-N 3.14Å; C909-S912 CarbonylContact O-C 3.44Å; C909-S912 WeakPolarHBondContact O-CA 3.37Å; C909-S912 VanDerWaalsContact O-CB 3.28Å; C909-S912 WeakPolarHBondContact O-CB 3.32Å; C909-S912 PolarHBondContact O-N 3.28Å; T910-S912 VanDerWaalsContact C-N 3.28Å; T910-S912 PolarHBondContact O-N 2.66Å; S912-L914 PolarHBondContact O-N 2.95Å; S912-R915 PolarHBondContact O-N 3.09Å; S912-F917 VanDerWaalsContact O-CE2 3.24Å; S912-F917 WeakPolarHBondContact O-CE2 3.39Å; S912-F917 WeakPolarHBondContact OG-CZ 3.42Å |
| 913 | D | 88.9 | Confident | 93.4 | Very high | 100 Ų | 100 | 32.6 Ų | 32.6 | 54% | 0.535 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -65.3 | -28.1 | -175.2 | -58.1 | -29.9 | 0 | 0 | 0 | 112.5 | C909 T910 R915 M953 | C909-D913 VanDerWaalsContact O-CG 3.25Å; C909-D913 PolarHBondContact O-N 3.09Å; T910-D913 PolarHBondContact O-N 3.31Å; D913-R915 VanDerWaalsContact C-N 3.34Å; D913-M953 HydrophobicContact CB-SD 4.42Å |
| 914 | L | 93.9 | Very high | 93.1 | Very high | 7 Ų | 7 | 34.7 Ų | 34.7 | 4% | 0.037 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -8.7 | 174.4 | -70.5 | 169 | 0 | 0 | 0 | 114.6 | T910 S912 L922 N923 P936 M953 | T910-L914 HydrophobicContact CG2-CD1 3.92Å; T910-L914 WeakPolarHBondContact O-CB 3.25Å; T910-L914 WeakPolarHBondContact O-CD1 3.41Å; T910-L914 VanDerWaalsContact O-CG 3.24Å; T910-L914 WeakPolarHBondContact O-CG 3.29Å; T910-L914 PolarHBondContact O-N 3.25Å; T910-L914 VanDerWaalsContact O-N 3.14Å; S912-L914 PolarHBondContact O-N 2.95Å; L914-L922 HydrophobicContact CB-CD2 4.31Å; L914-L922 CarbonylContact O-C 3.53Å; L914-L922 WeakPolarHBondContact O-CA 3.5Å; L914-L922 WeakPolarHBondContact O-CD2 3.47Å; L914-N923 PolarHBondContact O-N 2.94Å; L914-P936 HydrophobicContact CD2-CG 4.31Å; L914-M953 HydrophobicContact CD2-CB 4.38Å; L914-M953 HydrophobicContact CD2-CG 3.84Å; L914-M953 HydrophobicContact CD2-SD 4.07Å |
| 915 | R | 95.1 | Very high | 92.5 | Very high | 28 Ų | 28 | 35.4 Ų | 35.4 | 11% | 0.106 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -95.4 | 146.5 | -176.8 | -79.5 | 172.3 | 69.5 | 171 | -1 | 112.8 | A911 S912 D913 F917 L922 D992 E993 Y996 | A911-R915 VanDerWaalsContact O-CD 3.26Å; A911-R915 WeakPolarHBondContact O-CD 3.32Å; A911-R915 VanDerWaalsContact O-CG 3.27Å; A911-R915 WeakPolarHBondContact O-CG 3.44Å; S912-R915 PolarHBondContact O-N 3.09Å; D913-R915 VanDerWaalsContact C-N 3.34Å; R915-F917 HydrophobicContact CB-CD1 4.4Å; R915-F917 HydrophobicContact CB-CD2 3.92Å; R915-F917 HydrophobicContact CB-CE1 4.22Å; R915-F917 HydrophobicContact CB-CE2 3.72Å; R915-F917 HydrophobicContact CB-CG 4.27Å; R915-F917 HydrophobicContact CB-CZ 3.89Å; R915-L922 HydrophobicContact CG-CD2 4.26Å; R915-D992 IonicContact CZ-OD2 3.64Å; R915-D992 IonicContact NE-OD2 2.76Å; R915-D992 IonicContact NH2-OD2 3.72Å; R915-D992 PolarHBondContact NH2-OD2 2.93Å; R915-E993 IonicContact CZ-OE2 2.72Å; R915-E993 IonicContact NH1-OE1 3.66Å; R915-E993 IonicContact NH1-OE2 3.35Å; R915-E993 PolarHBondContact NH1-OE2 3.32Å; R915-E993 IonicContact NH2-OE2 3.77Å; R915-E993 PolarHBondContact NH2-OE2 2.96Å; R915-Y996 HydrophobicContact CG-CD2 4.08Å; R915-Y996 HydrophobicContact CG-CE2 3.77Å |
| 916 | L | 94.9 | Very high | 91.8 | Very high | 67 Ų | 67 | 44.7 Ų | 44.7 | 35% | 0.351 | 22% | 0.222 | S | C | . | . | trans | -83.2 | -18.4 | 170 | -171.7 | 61.9 | 0 | 0 | 0 | 112.3 | T918 K921 Y924 | L916-T918 PolarHBondContact O-N 3.04Å; L916-T918 VanDerWaalsContact O-N 3.16Å; L916-K921 HydrophobicContact CB-CB 4.41Å; L916-K921 WeakPolarHBondContact CB-O 3.49Å; L916-K921 HydrophobicContact CD2-CB 4.29Å; L916-K921 PolarHBondContact N-O 3.47Å; L916-Y924 HydrophobicContact CD2-CE1 4Å | ||
| 917 | F | 95.8 | Very high | 90.7 | Very high | 105 Ų | 105 | 47.8 Ų | 47.8 | 46% | 0.461 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 50.2 | 34.4 | -171.4 | -61.6 | -80 | 0 | 0 | 0 | 113.3 | S912 R915 | S912-F917 VanDerWaalsContact O-CE2 3.24Å; S912-F917 WeakPolarHBondContact O-CE2 3.39Å; S912-F917 WeakPolarHBondContact OG-CZ 3.42Å; R915-F917 HydrophobicContact CB-CD1 4.4Å; R915-F917 HydrophobicContact CB-CD2 3.92Å; R915-F917 HydrophobicContact CB-CE1 4.22Å; R915-F917 HydrophobicContact CB-CE2 3.72Å; R915-F917 HydrophobicContact CB-CG 4.27Å; R915-F917 HydrophobicContact CB-CZ 3.89Å |
| 918 | T | 94.9 | Very high | 90.2 | Very high | 78 Ų | 78 | 47.9 Ų | 47.9 | 48% | 0.479 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -143.6 | 132 | 171.7 | -70.4 | 0 | 0 | 0 | 0 | 109.6 | L916 G920 K921 D992 | L916-T918 PolarHBondContact O-N 3.04Å; L916-T918 VanDerWaalsContact O-N 3.16Å; T918-G920 PolarHBondContact O-N 3.03Å; T918-G920 VanDerWaalsContact O-N 3.15Å; T918-K921 WeakPolarHBondContact O-CB 3.35Å; T918-K921 PolarHBondContact O-N 2.99Å; T918-K921 VanDerWaalsContact O-N 3.15Å; T918-D992 VanDerWaalsContact CA-OD1 3.22Å; T918-D992 WeakPolarHBondContact CA-OD1 3.25Å; T918-D992 PolarHBondContact N-OD1 2.97Å |
| 919 | Q | 94.2 | Very high | 89.7 | Confident | 63 Ų | 63 | 48.3 Ų | 48.3 | 29% | 0.294 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 22.1 | 179.8 | -62.1 | 171.3 | -15.1 | 0 | 0 | 114.7 | K921 Y984 D992 I995 | Q919-K921 VanDerWaalsContact C-N 3.25Å; Q919-K921 HydrophobicContact CB-CD 4.11Å; Q919-K921 HydrophobicContact CB-CG 4.32Å; Q919-K921 PolarHBondContact O-N 2.99Å; Q919-Y984 HydrophobicContact CB-CD2 4.4Å; Q919-Y984 HydrophobicContact CB-CG 4.23Å; Q919-Y984 HydrophobicContact CG-CD1 3.96Å; Q919-Y984 HydrophobicContact CG-CD2 4.07Å; Q919-Y984 HydrophobicContact CG-CE1 3.98Å; Q919-Y984 HydrophobicContact CG-CE2 4.09Å; Q919-Y984 HydrophobicContact CG-CG 4Å; Q919-D992 PolarHBondContact N-OD1 2.94Å; Q919-I995 WeakPolarHBondContact O-CG2 3.44Å |
| 920 | G | 95.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 12.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | T918 H976 D992 Y996 | T918-G920 PolarHBondContact O-N 3.03Å; T918-G920 VanDerWaalsContact O-N 3.15Å; G920-H976 PolarHBondContact O-NE2 3.28Å; G920-H976 VanDerWaalsContact O-NE2 3.08Å; G920-D992 VanDerWaalsContact CA-O 3.3Å; G920-D992 WeakPolarHBondContact CA-O 3.23Å; G920-D992 VanDerWaalsContact CA-OD1 3.28Å; G920-D992 WeakPolarHBondContact CA-OD1 3.18Å; G920-D992 PolarHBondContact N-OD1 2.9Å; G920-Y996 WeakPolarHBondContact O-CA 3.01Å |
| 921 | K | 96.8 | Very high | 89.1 | Confident | 12 Ų | 12 | 47.4 Ų | 47.4 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -86.4 | 150.3 | -169.4 | -70.9 | 172.4 | 179.9 | 170 | 0 | 113.3 | L916 T918 Q919 N977 A980 D981 | L916-K921 HydrophobicContact CB-CB 4.41Å; L916-K921 WeakPolarHBondContact CB-O 3.49Å; L916-K921 HydrophobicContact CD2-CB 4.29Å; L916-K921 PolarHBondContact N-O 3.47Å; T918-K921 WeakPolarHBondContact O-CB 3.35Å; T918-K921 PolarHBondContact O-N 2.99Å; T918-K921 VanDerWaalsContact O-N 3.15Å; Q919-K921 VanDerWaalsContact C-N 3.25Å; Q919-K921 HydrophobicContact CB-CD 4.11Å; Q919-K921 HydrophobicContact CB-CG 4.32Å; Q919-K921 PolarHBondContact O-N 2.99Å; K921-N977 WeakPolarHBondContact CA-OD1 3.19Å; K921-N977 VanDerWaalsContact CB-OD1 3.24Å; K921-N977 WeakPolarHBondContact CB-OD1 3.28Å; K921-A980 HydrophobicContact CG-CB 3.94Å; K921-D981 IonicContact NZ-OD1 3.08Å; K921-D981 PolarHBondContact NZ-OD1 3.25Å |
| 922 | L | 96.7 | Very high | 88.4 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -73.5 | 151.2 | 161.7 | -66.9 | 176.2 | 0 | 0 | 0 | 110.3 | V903 Y904 L914 R915 Y924 V973 H976 N977 Y996 | V903-L922 HydrophobicContact CG1-CD1 3.82Å; Y904-L922 HydrophobicContact CD1-CD1 4.36Å; Y904-L922 HydrophobicContact CD1-CD2 4.19Å; Y904-L922 HydrophobicContact CE1-CD1 3.95Å; Y904-L922 HydrophobicContact CE1-CD2 4.31Å; Y904-L922 HydrophobicContact CE1-CG 4.41Å; L914-L922 HydrophobicContact CB-CD2 4.31Å; L914-L922 CarbonylContact O-C 3.53Å; L914-L922 WeakPolarHBondContact O-CA 3.5Å; L914-L922 WeakPolarHBondContact O-CD2 3.47Å; R915-L922 HydrophobicContact CG-CD2 4.26Å; L922-Y924 WeakPolarHBondContact O-CD1 3.13Å; L922-V973 HydrophobicContact CB-CG1 4.37Å; L922-V973 HydrophobicContact CD1-CG1 4.32Å; L922-V973 HydrophobicContact CD1-CG2 4.02Å; L922-H976 HydrophobicContact CD1-CB 4.24Å; L922-N977 PolarHBondContact N-OD1 3.2Å; L922-N977 PolarHBondContact O-ND2 3.12Å; L922-N977 PolarHBondContact O-OD1 3.17Å; L922-Y996 HydrophobicContact CD2-CE2 4.05Å |
| 923 | N | 93.1 | Very high | 88 | Confident | 62 Ų | 62 | 51.4 Ų | 51.4 | 33% | 0.332 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 146.7 | 171.1 | -167.3 | 4.1 | 0 | 0 | 0 | 110.2 | L914 P936 | L914-N923 PolarHBondContact O-N 2.94Å; N923-P936 HydrophobicContact CB-CB 4.16Å; N923-P936 HydrophobicContact CB-CG 4.45Å; N923-P936 WeakPolarHBondContact O-CD 3.33Å |
| 924 | Y | 91.2 | Very high | 87.8 | Confident | 47 Ų | 47 | 46.7 Ų | 46.7 | 18% | 0.184 | 23% | 0.232 | C | C | . | . | trans | -157.4 | 156.4 | -169 | 69.4 | -85 | 0 | 0 | 0 | 114 | L916 L922 R926 H933 G934 N977 | L916-Y924 HydrophobicContact CD2-CE1 4Å; L922-Y924 WeakPolarHBondContact O-CD1 3.13Å; Y924-R926 HydrophobicContact CD2-CG 4.19Å; Y924-R926 HydrophobicContact CE2-CG 3.74Å; Y924-R926 PolarHBondContact OH-NH2 3.08Å; Y924-H933 HydrophobicContact CD2-CB 4Å; Y924-H933 AromaticContact CD2-CD2 3.69Å; Y924-H933 AromaticContact CE2-CD2 3.57Å; Y924-H933 HydrophobicContact CG-CB 4.05Å; Y924-H933 AromaticContact CZ-CD2 3.88Å; Y924-G934 CarbonylContact C-O 3.15Å; Y924-G934 WeakPolarHBondContact CA-O 3.48Å; Y924-G934 WeakPolarHBondContact CB-O 3.25Å; Y924-N977 WeakPolarHBondContact CD1-ND2 3.49Å | ||
| 925 | T | 86.2 | Confident | 87.6 | Confident | 16 Ų | 16 | 46.4 Ų | 46.4 | 10% | 0.098 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -101.4 | 156 | 170.3 | 54 | 0 | 0 | 0 | 0 | 112.2 | T927 G934 L935 F937 | T925-T927 PolarHBondContact OG1-OG1 3.42Å; T925-G934 PolarHBondContact N-O 2.88Å; T925-G934 PolarHBondContact O-N 2.99Å; T925-L935 WeakPolarHBondContact CB-O 3.48Å; T925-L935 WeakPolarHBondContact CG2-O 3.07Å; T925-L935 PolarHBondContact OG1-O 3.28Å; T925-F937 HydrophobicContact CG2-CD1 4.45Å; T925-F937 HydrophobicContact CG2-CD2 3.63Å; T925-F937 HydrophobicContact CG2-CE1 4.42Å; T925-F937 HydrophobicContact CG2-CE2 3.58Å; T925-F937 HydrophobicContact CG2-CG 4.09Å; T925-F937 HydrophobicContact CG2-CZ 4Å |
| 926 | R | 78.3 | Confident | 87.3 | Confident | 195 Ų | 195 | 45.4 Ų | 45.4 | 74% | 0.736 | 23% | 0.227 | S | C | * | . | trans | -110.4 | 21.8 | 173.5 | -62.6 | -175.5 | -179.5 | -156.9 | -5.2 | 112.7 | Y924 F928 | Y924-R926 HydrophobicContact CD2-CG 4.19Å; Y924-R926 HydrophobicContact CE2-CG 3.74Å; Y924-R926 PolarHBondContact OH-NH2 3.08Å; R926-F928 PolarHBondContact O-N 3.4Å | ||
| 927 | T | 70 | Confident | 86.8 | Confident | 69 Ų | 69 | 45.7 Ų | 45.7 | 42% | 0.423 | 23% | 0.226 | S | C | . | . | trans | -80.2 | -8.9 | -170.2 | 43.3 | 0 | 0 | 0 | 0 | 115 | T925 P929 F937 | T925-T927 PolarHBondContact OG1-OG1 3.42Å; T927-P929 WeakPolarHBondContact O-CD 3.46Å; T927-F937 HydrophobicContact CG2-CE2 4.13Å; T927-F937 HydrophobicContact CG2-CZ 4.19Å | ||
| 928 | F | 77.6 | Confident | 85.6 | Confident | 6 Ų | 6 | 41.5 Ų | 41.5 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -110.8 | 108.5 | -171.5 | -59.6 | -67.2 | 0 | 0 | 0 | 112.2 | R926 G930 I931 F952 L1095 Q1096 V1103 | R926-F928 PolarHBondContact O-N 3.4Å; F928-G930 PolarHBondContact O-N 3.44Å; F928-G930 VanDerWaalsContact O-N 3.1Å; F928-I931 HydrophobicContact CB-CB 4.27Å; F928-I931 PolarHBondContact O-N 3.32Å; F928-F952 AromaticContact CE2-CE1 3.86Å; F928-F952 HydrophobicContact CE2-CE1 3.86Å; F928-F952 AromaticContact CE2-CZ 3.87Å; F928-F952 HydrophobicContact CE2-CZ 3.87Å; F928-F952 AromaticContact CZ-CE1 3.9Å; F928-F952 HydrophobicContact CZ-CE1 3.9Å; F928-F952 AromaticContact CZ-CZ 3.57Å; F928-F952 HydrophobicContact CZ-CZ 3.57Å; F928-L1095 WeakPolarHBondContact CD1-O 3.5Å; F928-L1095 HydrophobicContact CE1-CB 3.95Å; F928-L1095 WeakPolarHBondContact CE1-O 3.46Å; F928-Q1096 HydrophobicContact CE1-CG 3.81Å; F928-Q1096 HydrophobicContact CZ-CG 4.17Å; F928-V1103 HydrophobicContact CB-CG2 4.01Å; F928-V1103 HydrophobicContact CD1-CG2 3.53Å; F928-V1103 HydrophobicContact CE1-CG2 4.22Å; F928-V1103 HydrophobicContact CG-CG2 3.74Å |
| 929 | P | 78.5 | Confident | 83.8 | Confident | 50 Ų | 50 | 47.3 Ų | 47.3 | 33% | 0.325 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 112.4 | -173.7 | -29.1 | 38.8 | 0 | 0 | 0 | 114.3 | T927 Q1104 R1271 | T927-P929 WeakPolarHBondContact O-CD 3.46Å; P929-Q1104 PolarHBondContact O-NE2 3.24Å; P929-R1271 PolarHBondContact O-NE 3.2Å |
| 930 | G | 79.7 | Confident | 82 | Confident | 23 Ų | 23 | 54.1 Ų | 54.1 | 24% | 0.237 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87 | 26.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | F928 Q1104 D1270 | F928-G930 PolarHBondContact O-N 3.44Å; F928-G930 VanDerWaalsContact O-N 3.1Å; G930-Q1104 VanDerWaalsContact C-NE2 3.28Å; G930-Q1104 PolarHBondContact O-NE2 3.07Å; G930-D1270 PolarHBondContact O-N 3.48Å; G930-D1270 VanDerWaalsContact O-N 3.14Å |
| 931 | I | 83.7 | Confident | 80.3 | Confident | 11 Ų | 11 | 54.9 Ų | 54.9 | 6% | 0.056 | 26% | 0.258 | C | S | . | . | trans | -132 | 130.5 | 159.6 | -62.5 | -177.7 | 0 | 0 | 0 | 106.4 | F928 I970 S974 V1103 M1269 | F928-I931 HydrophobicContact CB-CB 4.27Å; F928-I931 PolarHBondContact O-N 3.32Å; I931-I970 HydrophobicContact CD1-CG2 4.01Å; I931-I970 HydrophobicContact CG2-CG2 4.09Å; I931-S974 VanDerWaalsContact CG2-OG 3.31Å; I931-S974 WeakPolarHBondContact CG2-OG 3.4Å; I931-V1103 HydrophobicContact CD1-CB 3.62Å; I931-V1103 HydrophobicContact CD1-CG1 3.55Å; I931-V1103 HydrophobicContact CD1-CG2 4.02Å; I931-M1269 HydrophobicContact CD1-CE 4.1Å; I931-M1269 HydrophobicContact CD1-CG 4.39Å; I931-M1269 HydrophobicContact CG1-CG 4.42Å | ||
| 932 | Q | 79.5 | Confident | 78.4 | Confident | 118 Ų | 118 | 57.7 Ų | 57.7 | 55% | 0.551 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -82 | -32 | -172.1 | -63.3 | -177.5 | 5 | 0 | 0 | 113.5 | ||
| 933 | H | 84.3 | Confident | 76.9 | Confident | 19 Ų | 19 | 58.1 Ų | 58.1 | 9% | 0.088 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -138.2 | 85.3 | -174.3 | -44.1 | 112.6 | 0 | 0 | 0 | 110.9 | Y924 S974 N977 | Y924-H933 HydrophobicContact CD2-CB 4Å; Y924-H933 AromaticContact CD2-CD2 3.69Å; Y924-H933 AromaticContact CE2-CD2 3.57Å; Y924-H933 HydrophobicContact CG-CB 4.05Å; Y924-H933 AromaticContact CZ-CD2 3.88Å; H933-S974 PolarHBondContact O-OG 3.34Å; H933-N977 HydrophobicContact CB-CB 3.92Å; H933-N977 WeakPolarHBondContact ND1-CB 3.3Å |
| 934 | G | 84.8 | Confident | 75.8 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -72.8 | 169.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y924 T925 | Y924-G934 CarbonylContact C-O 3.15Å; Y924-G934 WeakPolarHBondContact CA-O 3.48Å; Y924-G934 WeakPolarHBondContact CB-O 3.25Å; T925-G934 PolarHBondContact N-O 2.88Å; T925-G934 PolarHBondContact O-N 2.99Å |
| 935 | L | 89.2 | Confident | 75 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 146.3 | 175.3 | -72.6 | 169.3 | 0 | 0 | 0 | 112 | T925 F952 A954 V959 H969 I970 V973 | T925-L935 WeakPolarHBondContact CB-O 3.48Å; T925-L935 WeakPolarHBondContact CG2-O 3.07Å; T925-L935 PolarHBondContact OG1-O 3.28Å; L935-F952 HydrophobicContact CB-CB 3.98Å; L935-F952 HydrophobicContact CB-CD1 3.49Å; L935-F952 VanDerWaalsContact CB-CD1 3.49Å; L935-F952 HydrophobicContact CB-CE1 4.04Å; L935-F952 HydrophobicContact CB-CG 3.8Å; L935-F952 HydrophobicContact CD1-CB 3.85Å; L935-F952 HydrophobicContact CD1-CD1 4.28Å; L935-F952 HydrophobicContact CD1-CD2 3.94Å; L935-F952 HydrophobicContact CD1-CG 3.79Å; L935-F952 HydrophobicContact CG-CG 4.47Å; L935-A954 HydrophobicContact CD2-CB 4.24Å; L935-V959 HydrophobicContact CD1-CG2 3.71Å; L935-H969 HydrophobicContact CD1-CB 3.88Å; L935-H969 HydrophobicContact CD2-CB 4.18Å; L935-I970 HydrophobicContact CB-CG1 4.41Å; L935-I970 HydrophobicContact CD1-CG1 3.72Å; L935-I970 HydrophobicContact CG-CG1 3.7Å; L935-V973 HydrophobicContact CD2-CB 4.27Å; L935-V973 HydrophobicContact CD2-CG2 3.75Å |
| 936 | P | 88.4 | Confident | 73.9 | Confident | 7 Ų | 7 | 57.5 Ų | 57.5 | 5% | 0.045 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 152 | 170.3 | 29.9 | -32.9 | 0 | 0 | 0 | 110.8 | L914 N923 F952 M953 | L914-P936 HydrophobicContact CD2-CG 4.31Å; N923-P936 HydrophobicContact CB-CB 4.16Å; N923-P936 HydrophobicContact CB-CG 4.45Å; N923-P936 WeakPolarHBondContact O-CD 3.33Å; P936-F952 WeakPolarHBondContact O-CA 3.49Å; P936-M953 WeakPolarHBondContact CD-O 3.45Å; P936-M953 HydrophobicContact CG-CB 4.38Å; P936-M953 WeakPolarHBondContact CG-O 3.45Å; P936-M953 PolarHBondContact O-N 2.91Å |
| 937 | F | 83.5 | Confident | 73.1 | Confident | 74 Ų | 74 | 54.9 Ų | 54.9 | 33% | 0.325 | 27% | 0.273 | S | S | . | . | B | Isolated β-bridge | trans | -82.6 | 143.3 | 168.1 | -61.5 | -50.5 | 0 | 0 | 0 | 110.3 | T925 T927 K950 C951 F952 | T925-F937 HydrophobicContact CG2-CD1 4.45Å; T925-F937 HydrophobicContact CG2-CD2 3.63Å; T925-F937 HydrophobicContact CG2-CE1 4.42Å; T925-F937 HydrophobicContact CG2-CE2 3.58Å; T925-F937 HydrophobicContact CG2-CG 4.09Å; T925-F937 HydrophobicContact CG2-CZ 4Å; T927-F937 HydrophobicContact CG2-CE2 4.13Å; T927-F937 HydrophobicContact CG2-CZ 4.19Å; F937-K950 WeakPolarHBondContact CD1-O 3.42Å; F937-K950 WeakPolarHBondContact CE1-O 3.33Å; F937-C951 WeakPolarHBondContact CA-O 3.43Å; F937-F952 AromaticContact CD1-CD1 3.89Å; F937-F952 HydrophobicContact CD1-CD1 3.89Å; F937-F952 HydrophobicContact CD1-CE1 4.1Å; F937-F952 AromaticContact CE1-CD1 3.91Å; F937-F952 HydrophobicContact CE1-CD1 3.91Å; F937-F952 AromaticContact CE1-CE1 3.64Å; F937-F952 HydrophobicContact CE1-CE1 3.64Å |
| 938 | G | 70.5 | Confident | 72.3 | Confident | 17 Ų | 17 | 53.2 Ų | 53.2 | 18% | 0.175 | 27% | 0.267 | C | S | . | . | trans | -104.5 | 175.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | C951 | G938-C951 PolarHBondContact N-O 3.19Š| ||
| 939 | F | 59 | Low | 71.5 | Confident | 199 Ų | 199 | 57.9 Ų | 57.9 | 87% | 0.873 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -67.3 | 148.1 | 163 | -77 | -83.7 | 0 | 0 | 0 | 110.2 | D941 | F939-D941 PolarHBondContact O-N 3.49Š|
| 940 | R | 54.5 | Low | 71.2 | Confident | 207 Ų | 207 | 59 Ų | 59 | 78% | 0.781 | 29% | 0.291 | S | S | * | . | trans | -35.4 | 98.1 | -172.2 | -61.8 | 176.1 | -176.5 | 171.2 | -0.3 | 114.7 | P942 A948 | R940-P942 VanDerWaalsContact O-CD 3.25Å; R940-P942 WeakPolarHBondContact O-CD 3.41Å; R940-A948 WeakPolarHBondContact CA-O 3.47Å; R940-A948 HydrophobicContact CB-CB 4.22Å; R940-A948 HydrophobicContact CG-CB 4.2Å | ||
| 941 | D | 61.3 | Low | 71.3 | Confident | 16 Ų | 16 | 58 Ų | 58 | 9% | 0.086 | 28% | 0.281 | C | S | . | . | trans | -71.2 | 114 | 159.2 | 177.5 | -12.9 | 0 | 0 | 0 | 107.6 | N663 F939 D943 C944 C951 N960 | N663-D941 PolarHBondContact ND2-OD1 3.24Å; F939-D941 PolarHBondContact O-N 3.49Å; D941-D943 PolarHBondContact OD1-N 3.47Å; D941-D943 VanDerWaalsContact OD1-N 3.07Å; D941-C944 HydrophobicContact CB-CB 4.1Å; D941-C944 WeakPolarHBondContact O-CB 3.48Å; D941-C944 PolarHBondContact O-N 3.14Å; D941-C944 PolarHBondContact OD1-N 2.9Å; D941-C951 HydrophobicContact CB-CB 3.83Å; D941-N960 WeakPolarHBondContact OD2-CB 3.43Å; D941-N960 PolarHBondContact OD2-ND2 3.39Å | ||
| 942 | P | 57.1 | Low | 71.5 | Confident | 70 Ų | 70 | 57.9 Ų | 57.9 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -17.7 | -175.4 | -15.8 | 32.4 | 0 | 0 | 0 | 114.2 | N662 R940 | N662-P942 HydrophobicContact CB-CB 3.7Å; N662-P942 HydrophobicContact CB-CG 3.56Å; R940-P942 VanDerWaalsContact O-CD 3.25Å; R940-P942 WeakPolarHBondContact O-CD 3.41Å |
| 943 | D | 65.4 | Low | 71.9 | Confident | 14 Ų | 14 | 54.9 Ų | 54.9 | 8% | 0.075 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -13.1 | 175.3 | -56.3 | -32.5 | 0 | 0 | 0 | 111 | G661 N662 N663 D941 K945 F1090 | G661-D943 PolarHBondContact N-OD1 3.05Å; N662-D943 WeakPolarHBondContact CB-OD1 3.46Å; N662-D943 VanDerWaalsContact N-CG 3.33Å; N662-D943 PolarHBondContact N-OD1 3.38Å; N662-D943 PolarHBondContact N-OD2 3.31Å; N662-D943 PolarHBondContact ND2-OD1 2.64Å; N663-D943 WeakPolarHBondContact CB-OD2 3.34Å; N663-D943 PolarHBondContact N-OD2 2.82Å; N663-D943 PolarHBondContact ND2-OD2 2.69Å; D941-D943 PolarHBondContact OD1-N 3.47Å; D941-D943 VanDerWaalsContact OD1-N 3.07Å; D943-K945 PolarHBondContact O-N 2.64Å; D943-F1090 HydrophobicContact CB-CD1 3.99Å; D943-F1090 HydrophobicContact CB-CD2 4.14Å; D943-F1090 HydrophobicContact CB-CE1 4.1Å; D943-F1090 HydrophobicContact CB-CE2 4.24Å; D943-F1090 HydrophobicContact CB-CG 4.01Å; D943-F1090 HydrophobicContact CB-CZ 4.23Å; D943-F1090 WeakPolarHBondContact O-CB 3.27Å |
| 944 | C | 70.3 | Confident | 72.2 | Confident | 14 Ų | 14 | 54.2 Ų | 54.2 | 10% | 0.095 | 27% | 0.265 | C | S | . | . | trans | -56 | 114.1 | 178.5 | -161.6 | 0 | 0 | 0 | 0 | 112.4 | D941 S946 C951 | D941-C944 HydrophobicContact CB-CB 4.1Å; D941-C944 WeakPolarHBondContact O-CB 3.48Å; D941-C944 PolarHBondContact O-N 3.14Å; D941-C944 PolarHBondContact OD1-N 2.9Å; C944-S946 CarbonylContact C-O 3.55Å; C944-S946 VanDerWaalsContact O-O 3.12Å; C944-S946 PolarHBondContact SG-O 2.81Å; C944-S946 VanDerWaalsContact SG-O 3.32Å; C944-S946 PolarHBondContact SG-OG 3.02Å; C944-C951 HydrophobicContact CB-CB 3.87Å; C944-C951 WeakPolarHBondContact CB-SG 3.36Å; C944-C951 WeakPolarHBondContact SG-CB 3.11Å; C944-C951 CovalentContact SG-SG 2.03Å; C944-C951 PolarHBondContact SG-SG 2.72Å | ||
| 945 | K | 73.2 | Confident | 72.6 | Confident | 84 Ų | 84 | 54.4 Ų | 54.4 | 37% | 0.365 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -81.1 | -17.4 | 179.8 | -64.7 | -174.9 | -175.4 | 177.2 | 0 | 113.3 | D943 F1090 F1131 E1132 | D943-K945 PolarHBondContact O-N 2.64Å; K945-F1090 HydrophobicContact CG-CB 4.31Å; K945-F1090 PolarHBondContact N-O 3.26Å; K945-F1131 PolarHBondContact NZ-O 3.07Å; K945-E1132 PolarHBondContact NZ-O 3.4Å |
| 946 | S | 63.2 | Low | 72.7 | Confident | 14 Ų | 14 | 54.5 Ų | 54.5 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -82.4 | 160.2 | 160.8 | 45.1 | 0 | 0 | 0 | 0 | 110.6 | C944 A948 I1092 | C944-S946 CarbonylContact C-O 3.55Å; C944-S946 VanDerWaalsContact O-O 3.12Å; C944-S946 PolarHBondContact SG-O 2.81Å; C944-S946 VanDerWaalsContact SG-O 3.32Å; C944-S946 PolarHBondContact SG-OG 3.02Å; S946-A948 PolarHBondContact O-N 3.2Å; S946-I1092 WeakPolarHBondContact OG-CD1 3.08Å; S946-I1092 WeakPolarHBondContact OG-CG1 2.94Å |
| 947 | H | 62 | Low | 72.6 | Confident | 139 Ų | 139 | 56.7 Ų | 56.7 | 64% | 0.644 | 28% | 0.277 | S | S | * | . | trans | -45.8 | 128.1 | 177.5 | -61.9 | -88.8 | 0 | 0 | 0 | 112 | D949 K950 | H947-D949 WeakPolarHBondContact CB-OD1 3.43Å; H947-D949 PolarHBondContact O-N 3.27Å; H947-K950 HydrophobicContact CB-CD 4.37Å; H947-K950 WeakPolarHBondContact O-CB 3.23Å; H947-K950 PolarHBondContact O-N 3.29Å | ||
| 948 | A | 53.5 | Low | 72.9 | Confident | 35 Ų | 35 | 55 Ų | 55 | 29% | 0.289 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -11.2 | -165.1 | 0 | 0 | 0 | 0 | 0 | 115 | R940 S946 K950 | R940-A948 WeakPolarHBondContact CA-O 3.47Å; R940-A948 HydrophobicContact CB-CB 4.22Å; R940-A948 HydrophobicContact CG-CB 4.2Å; S946-A948 PolarHBondContact O-N 3.2Å; A948-K950 PolarHBondContact O-N 3.12Å |
| 949 | D | 60.6 | Low | 73.9 | Confident | 103 Ų | 103 | 54.2 Ų | 54.2 | 55% | 0.551 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -2.6 | 170 | 62.8 | -54.6 | 0 | 0 | 0 | 113.9 | H947 | H947-D949 WeakPolarHBondContact CB-OD1 3.43Å; H947-D949 PolarHBondContact O-N 3.27Å |
| 950 | K | 71.3 | Confident | 75.3 | Confident | 74 Ų | 74 | 45 Ų | 45 | 32% | 0.322 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -122 | -3.6 | -170.3 | -54.4 | -177.7 | -176.5 | 176.7 | 0 | 115.7 | F937 H947 A948 I1092 | F937-K950 WeakPolarHBondContact CD1-O 3.42Å; F937-K950 WeakPolarHBondContact CE1-O 3.33Å; H947-K950 HydrophobicContact CB-CD 4.37Å; H947-K950 WeakPolarHBondContact O-CB 3.23Å; H947-K950 PolarHBondContact O-N 3.29Å; A948-K950 PolarHBondContact O-N 3.12Å; K950-I1092 HydrophobicContact CB-CD1 3.53Å; K950-I1092 WeakPolarHBondContact O-CD1 3.3Å |
| 951 | C | 81.9 | Confident | 77 | Confident | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.02 | 19% | 0.191 | C | C | . | . | trans | -68.1 | 153 | 173.8 | -99.5 | 0 | 0 | 0 | 0 | 111.5 | F937 G938 D941 C944 | F937-C951 WeakPolarHBondContact CA-O 3.43Å; G938-C951 PolarHBondContact N-O 3.19Å; D941-C951 HydrophobicContact CB-CB 3.83Å; C944-C951 HydrophobicContact CB-CB 3.87Å; C944-C951 WeakPolarHBondContact CB-SG 3.36Å; C944-C951 WeakPolarHBondContact SG-CB 3.11Å; C944-C951 CovalentContact SG-SG 2.03Å; C944-C951 PolarHBondContact SG-SG 2.72Å | ||
| 952 | F | 87.9 | Confident | 78.4 | Confident | 7 Ų | 7 | 36.1 Ų | 36.1 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -81.3 | 156 | -175.4 | -60.9 | -61.1 | 0 | 0 | 0 | 112.3 | F928 L935 P936 F937 V959 N960 M966 I970 I1092 L1095 | F928-F952 AromaticContact CE2-CE1 3.86Å; F928-F952 HydrophobicContact CE2-CE1 3.86Å; F928-F952 AromaticContact CE2-CZ 3.87Å; F928-F952 HydrophobicContact CE2-CZ 3.87Å; F928-F952 AromaticContact CZ-CE1 3.9Å; F928-F952 HydrophobicContact CZ-CE1 3.9Å; F928-F952 AromaticContact CZ-CZ 3.57Å; F928-F952 HydrophobicContact CZ-CZ 3.57Å; L935-F952 HydrophobicContact CB-CB 3.98Å; L935-F952 HydrophobicContact CB-CD1 3.49Å; L935-F952 VanDerWaalsContact CB-CD1 3.49Å; L935-F952 HydrophobicContact CB-CE1 4.04Å; L935-F952 HydrophobicContact CB-CG 3.8Å; L935-F952 HydrophobicContact CD1-CB 3.85Å; L935-F952 HydrophobicContact CD1-CD1 4.28Å; L935-F952 HydrophobicContact CD1-CD2 3.94Å; L935-F952 HydrophobicContact CD1-CG 3.79Å; L935-F952 HydrophobicContact CG-CG 4.47Å; P936-F952 WeakPolarHBondContact O-CA 3.49Å; F937-F952 AromaticContact CD1-CD1 3.89Å; F937-F952 HydrophobicContact CD1-CD1 3.89Å; F937-F952 HydrophobicContact CD1-CE1 4.1Å; F937-F952 AromaticContact CE1-CD1 3.91Å; F937-F952 HydrophobicContact CE1-CD1 3.91Å; F937-F952 AromaticContact CE1-CE1 3.64Å; F937-F952 HydrophobicContact CE1-CE1 3.64Å; F952-V959 HydrophobicContact CB-CG1 4.47Å; F952-N960 WeakPolarHBondContact CB-OD1 3.41Å; F952-N960 PolarHBondContact N-OD1 2.78Å; F952-N960 PolarHBondContact O-ND2 3.08Å; F952-M966 HydrophobicContact CD2-CG 4.1Å; F952-M966 HydrophobicContact CD2-SD 3.91Å; F952-M966 HydrophobicContact CE2-CB 4.36Å; F952-M966 HydrophobicContact CE2-CG 4.19Å; F952-M966 HydrophobicContact CE2-SD 3.68Å; F952-I970 HydrophobicContact CZ-CD1 4.46Å; F952-I1092 HydrophobicContact CD2-CG2 4.14Å; F952-I1092 HydrophobicContact CE2-CB 4.3Å; F952-I1092 HydrophobicContact CE2-CG2 4.04Å; F952-L1095 HydrophobicContact CE2-CD1 3.85Å; F952-L1095 HydrophobicContact CZ-CD1 4.31Å |
| 953 | M | 87.7 | Confident | 80.1 | Confident | 55 Ų | 55 | 32.8 Ų | 32.8 | 27% | 0.271 | 17% | 0.166 | S | C | . | . | trans | -111.6 | 139.8 | 164.2 | -168.5 | -173.2 | -79.9 | 0 | 0 | 109.7 | D913 L914 P936 | D913-M953 HydrophobicContact CB-SD 4.42Å; L914-M953 HydrophobicContact CD2-CB 4.38Å; L914-M953 HydrophobicContact CD2-CG 3.84Å; L914-M953 HydrophobicContact CD2-SD 4.07Å; P936-M953 WeakPolarHBondContact CD-O 3.45Å; P936-M953 HydrophobicContact CG-CB 4.38Å; P936-M953 WeakPolarHBondContact CG-O 3.45Å; P936-M953 PolarHBondContact O-N 2.91Å | ||
| 954 | A | 91.5 | Very high | 81.4 | Confident | 6 Ų | 6 | 32.1 Ų | 32.1 | 5% | 0.05 | 16% | 0.162 | C | C | . | . | trans | -146.1 | -172.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | L935 V959 | L935-A954 HydrophobicContact CD2-CB 4.24Å; A954-V959 HydrophobicContact CB-CB 3.81Å; A954-V959 HydrophobicContact CB-CG1 3.88Å; A954-V959 HydrophobicContact CB-CG2 3.86Å | ||
| 955 | G | 92.4 | Very high | 82.6 | Confident | 4 Ų | 4 | 31.5 Ų | 31.5 | 4% | 0.041 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -70.2 | -36.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | S901 N902 | S901-G955 CarbonylContact O-C 3.53Å; S901-G955 VanDerWaalsContact O-C 3.3Å; S901-G955 VanDerWaalsContact O-CA 3.22Å; S901-G955 WeakPolarHBondContact O-CA 3.4Å; N902-G955 WeakPolarHBondContact O-CA 3.32Å; N902-G955 PolarHBondContact O-N 2.85Å; N902-G955 VanDerWaalsContact O-N 3.09Å |
| 956 | D | 91.7 | Very high | 83.5 | Confident | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.011 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -98 | 139.9 | 166.8 | 178.1 | -99.9 | 0 | 0 | 0 | 110.5 | H818 H822 N902 R958 | H818-D956 HydrophobicContact CB-CB 4.22Å; H818-D956 IonicContact CE1-OD1 2.67Å; H818-D956 IonicContact CG-OD1 3.09Å; H818-D956 IonicContact ND1-OD1 3.1Å; H818-D956 PolarHBondContact ND1-OD1 3.3Å; H822-D956 IonicContact CD2-OD2 2.78Å; H822-D956 PolarHBondContact CD2-OD2 2.9Å; N902-D956 HydrophobicContact CB-CB 4.28Å; N902-D956 PolarHBondContact O-N 3.38Å; D956-R958 PolarHBondContact O-N 2.95Å; D956-R958 VanDerWaalsContact OD1-CB 3.25Å; D956-R958 WeakPolarHBondContact OD1-CB 3.31Å; D956-R958 IonicContact OD1-CZ 3.47Å; D956-R958 PolarHBondContact OD1-N 3.42Å; D956-R958 IonicContact OD1-NE 3.66Å; D956-R958 PolarHBondContact OD1-NE 3.02Å; D956-R958 IonicContact OD1-NH2 2.86Å; D956-R958 IonicContact OD2-CZ 3.15Å; D956-R958 IonicContact OD2-NE 2.71Å; D956-R958 PolarHBondContact OD2-NE 3.45Å; D956-R958 VanDerWaalsContact OD2-NE 3.14Å; D956-R958 IonicContact OD2-NH2 2.73Å; D956-R958 PolarHBondContact OD2-NH2 3.27Å |
| 957 | I | 86.5 | Confident | 85 | Confident | 53 Ų | 53 | 26.8 Ų | 26.8 | 27% | 0.272 | 14% | 0.136 | S | C | . | . | G | 310 helix | trans | -72.8 | -27 | -173.6 | 62.5 | -177.2 | 0 | 0 | 0 | 113 | N663 V959 | N663-I957 VanDerWaalsContact O-CD1 3.22Å; N663-I957 WeakPolarHBondContact O-CD1 3.39Å; N663-I957 PolarHBondContact OD1-O 2.88Å; I957-V959 PolarHBondContact O-N 2.95Å |
| 958 | R | 89.5 | Confident | 86.5 | Confident | 39 Ų | 39 | 20.2 Ų | 20.2 | 15% | 0.147 | 11% | 0.106 | C | C | . | . | G | 310 helix | trans | -77.4 | 11.2 | -177.6 | -52.8 | 160.7 | -74.6 | -175.9 | -19.5 | 113 | D817 H818 T821 H822 D956 N960 E961 | D817-R958 IonicContact OD1-NH1 2.75Å; D817-R958 PolarHBondContact OD1-NH1 2.75Å; H818-R958 VanDerWaalsContact CD2-CZ 3.49Å; H818-R958 PolarHBondContact CD2-NH1 2.75Å; H818-R958 VanDerWaalsContact CD2-NH1 3.26Å; H818-R958 VanDerWaalsContact CE1-CB 3.45Å; H818-R958 WeakPolarHBondContact CE1-CB 3.48Å; H818-R958 PolarHBondContact CE1-NE 3.36Å; H818-R958 VanDerWaalsContact CG-CZ 3.45Å; H818-R958 PolarHBondContact ND1-NE 3.24Å; H818-R958 PolarHBondContact NE2-NH1 3.32Å; T821-R958 PolarHBondContact O-NH1 3.32Å; T821-R958 PolarHBondContact O-NH2 2.89Å; H822-R958 PolarHBondContact CD2-NE 3.4Å; D956-R958 PolarHBondContact O-N 2.95Å; D956-R958 VanDerWaalsContact OD1-CB 3.25Å; D956-R958 WeakPolarHBondContact OD1-CB 3.31Å; D956-R958 IonicContact OD1-CZ 3.47Å; D956-R958 PolarHBondContact OD1-N 3.42Å; D956-R958 IonicContact OD1-NE 3.66Å; D956-R958 PolarHBondContact OD1-NE 3.02Å; D956-R958 IonicContact OD1-NH2 2.86Å; D956-R958 IonicContact OD2-CZ 3.15Å; D956-R958 IonicContact OD2-NE 2.71Å; D956-R958 PolarHBondContact OD2-NE 3.45Å; D956-R958 VanDerWaalsContact OD2-NE 3.14Å; D956-R958 IonicContact OD2-NH2 2.73Å; D956-R958 PolarHBondContact OD2-NH2 3.27Å; R958-N960 PolarHBondContact O-N 2.75Å; R958-N960 VanDerWaalsContact O-N 3.08Å; R958-E961 WeakPolarHBondContact O-CB 3.41Å; R958-E961 PolarHBondContact O-N 2.97Å |
| 959 | V | 91.1 | Very high | 88.5 | Confident | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | G | 310 helix | trans | -52.3 | -31.4 | 177.8 | 59.7 | 0 | 0 | 0 | 0 | 113.1 | L935 F952 A954 I957 M966 H969 | L935-V959 HydrophobicContact CD1-CG2 3.71Å; F952-V959 HydrophobicContact CB-CG1 4.47Å; A954-V959 HydrophobicContact CB-CB 3.81Å; A954-V959 HydrophobicContact CB-CG1 3.88Å; A954-V959 HydrophobicContact CB-CG2 3.86Å; I957-V959 PolarHBondContact O-N 2.95Å; V959-M966 WeakPolarHBondContact O-CG 3.5Å; V959-H969 HydrophobicContact CG2-CB 3.82Å |
| 960 | N | 88.9 | Confident | 90.1 | Very high | 4 Ų | 4 | 13.7 Ų | 13.7 | 2% | 0.021 | 7% | 0.066 | C | C | . | . | G | 310 helix | trans | -82.4 | -7.2 | 179.9 | -61.4 | -48.1 | 0 | 0 | 0 | 114.3 | D941 F952 R958 N962 M966 F1090 | D941-N960 WeakPolarHBondContact OD2-CB 3.43Å; D941-N960 PolarHBondContact OD2-ND2 3.39Å; F952-N960 WeakPolarHBondContact CB-OD1 3.41Å; F952-N960 PolarHBondContact N-OD1 2.78Å; F952-N960 PolarHBondContact O-ND2 3.08Å; R958-N960 PolarHBondContact O-N 2.75Å; R958-N960 VanDerWaalsContact O-N 3.08Å; N960-N962 VanDerWaalsContact C-N 3.33Å; N960-N962 PolarHBondContact O-N 2.93Å; N960-N962 VanDerWaalsContact O-N 3.16Å; N960-M966 HydrophobicContact CB-CE 4.27Å; N960-M966 WeakPolarHBondContact O-CE 3.21Å; N960-F1090 VanDerWaalsContact O-CA 3.27Å; N960-F1090 WeakPolarHBondContact O-CA 3.35Å; N960-F1090 PolarHBondContact O-N 2.97Å |
| 961 | E | 89.8 | Confident | 91.2 | Very high | 35 Ų | 35 | 10.3 Ų | 10.3 | 16% | 0.164 | 5% | 0.051 | C | C | . | . | S | Bend | trans | -50.6 | -47.3 | -169.5 | -175 | -139.4 | 91.6 | 0 | 0 | 113 | Q814 R958 L965 F1089 F1090 F1131 | Q814-E961 PolarHBondContact NE2-OE1 3.19Å; Q814-E961 PolarHBondContact NE2-OE2 3.08Å; R958-E961 WeakPolarHBondContact O-CB 3.41Å; R958-E961 PolarHBondContact O-N 2.97Å; E961-L965 HydrophobicContact CB-CD2 4.27Å; E961-F1089 CarbonylContact O-C 3.45Å; E961-F1089 WeakPolarHBondContact O-CA 3.49Å; E961-F1090 PolarHBondContact O-N 2.81Å; E961-F1131 HydrophobicContact CG-CE1 3.94Å; E961-F1131 HydrophobicContact CG-CZ 4.11Å |
| 962 | N | 91.6 | Very high | 91.9 | Very high | 3 Ų | 3 | 10.2 Ų | 10.2 | 2% | 0.016 | 5% | 0.05 | C | C | . | . | B | Isolated β-bridge | trans | -146.9 | 149.4 | 172.9 | 75.5 | 78.8 | 0 | 0 | 0 | 112.1 | Q814 N960 G964 L965 M966 L1085 F1089 | Q814-N962 PolarHBondContact OE1-ND2 3.17Å; N960-N962 VanDerWaalsContact C-N 3.33Å; N960-N962 PolarHBondContact O-N 2.93Å; N960-N962 VanDerWaalsContact O-N 3.16Å; N962-G964 PolarHBondContact O-N 3.35Å; N962-G964 VanDerWaalsContact OD1-CA 3.27Å; N962-G964 WeakPolarHBondContact OD1-CA 3.16Å; N962-G964 PolarHBondContact OD1-N 3.33Å; N962-L965 PolarHBondContact O-N 3.36Å; N962-L965 VanDerWaalsContact O-N 3.07Å; N962-L965 PolarHBondContact OD1-N 3.08Å; N962-M966 PolarHBondContact O-N 3.33Å; N962-L1085 HydrophobicContact CB-CD1 4.44Å; N962-F1089 HydrophobicContact CB-CD1 4.29Å |
| 963 | S | 91.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -11.4 | -177.1 | -9.6 | 0 | 0 | 0 | 0 | 115 | M1088 N1091 | S963-M1088 PolarHBondContact N-O 3.43Å; S963-M1088 PolarHBondContact OG-O 3.06Å; S963-N1091 WeakPolarHBondContact CB-O 3.29Å; S963-N1091 PolarHBondContact OG-O 3.04Å |
| 964 | G | 93.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.038 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -45.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | M811 N962 M966 V967 P968 | M811-G964 VanDerWaalsContact SD-CA 3.58Å; N962-G964 PolarHBondContact O-N 3.35Å; N962-G964 VanDerWaalsContact OD1-CA 3.27Å; N962-G964 WeakPolarHBondContact OD1-CA 3.16Å; N962-G964 PolarHBondContact OD1-N 3.33Å; G964-M966 VanDerWaalsContact C-N 3.3Å; G964-M966 PolarHBondContact O-N 3.37Å; G964-V967 WeakPolarHBondContact O-CB 3.23Å; G964-V967 PolarHBondContact O-N 2.87Å; G964-V967 VanDerWaalsContact O-N 3.15Å; G964-P968 WeakPolarHBondContact O-CD 3.46Å |
| 965 | L | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 4% | 0.038 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -33.5 | 178.6 | 177.6 | 62.9 | 0 | 0 | 0 | 112.1 | M811 Q814 F815 E961 N962 V967 P968 H969 | M811-L965 PolarHBondContact SD-N 3.49Å; M811-L965 VanDerWaalsContact SD-N 3.39Å; Q814-L965 HydrophobicContact CB-CD1 4.25Å; Q814-L965 HydrophobicContact CG-CD1 3.94Å; Q814-L965 HydrophobicContact CG-CD2 4.22Å; F815-L965 HydrophobicContact CB-CD1 4.06Å; E961-L965 HydrophobicContact CB-CD2 4.27Å; N962-L965 PolarHBondContact O-N 3.36Å; N962-L965 VanDerWaalsContact O-N 3.07Å; N962-L965 PolarHBondContact OD1-N 3.08Å; L965-V967 PolarHBondContact O-N 3.01Å; L965-V967 VanDerWaalsContact O-N 3.13Å; L965-P968 WeakPolarHBondContact O-CD 3.47Å; L965-P968 VanDerWaalsContact O-CG 3.23Å; L965-P968 WeakPolarHBondContact O-CG 3.36Å; L965-H969 PolarHBondContact O-CD2 3.4Å |
| 966 | M | 93 | Very high | 93 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -56.2 | -29 | 173.9 | -63.8 | 170.6 | -165.4 | 0 | 0 | 112.7 | F952 V959 N960 N962 G964 H969 I970 I1092 L1095 | F952-M966 HydrophobicContact CD2-CG 4.1Å; F952-M966 HydrophobicContact CD2-SD 3.91Å; F952-M966 HydrophobicContact CE2-CB 4.36Å; F952-M966 HydrophobicContact CE2-CG 4.19Å; F952-M966 HydrophobicContact CE2-SD 3.68Å; V959-M966 WeakPolarHBondContact O-CG 3.5Å; N960-M966 HydrophobicContact CB-CE 4.27Å; N960-M966 WeakPolarHBondContact O-CE 3.21Å; N962-M966 PolarHBondContact O-N 3.33Å; G964-M966 VanDerWaalsContact C-N 3.3Å; G964-M966 PolarHBondContact O-N 3.37Å; M966-H969 PolarHBondContact O-N 3.28Å; M966-I970 VanDerWaalsContact O-CG1 3.27Å; M966-I970 WeakPolarHBondContact O-CG1 3.32Å; M966-I970 PolarHBondContact O-N 3.14Å; M966-I1092 HydrophobicContact CE-CG2 3.87Å; M966-I1092 HydrophobicContact SD-CB 4.44Å; M966-I1092 HydrophobicContact SD-CG2 4.11Å; M966-L1095 HydrophobicContact CB-CD1 3.74Å; M966-L1095 HydrophobicContact CG-CD1 4.2Å; M966-L1095 HydrophobicContact SD-CD1 3.37Å; M966-L1095 WeakPolarHBondContact SD-CD1 3.42Å |
| 967 | V | 93.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -64.4 | -52.5 | -176.6 | 179.3 | 0 | 0 | 0 | 0 | 113.5 | G964 L965 H969 I970 L971 L1095 V1103 I1106 A1107 M1269 | G964-V967 WeakPolarHBondContact O-CB 3.23Å; G964-V967 PolarHBondContact O-N 2.87Å; G964-V967 VanDerWaalsContact O-N 3.15Å; L965-V967 PolarHBondContact O-N 3.01Å; L965-V967 VanDerWaalsContact O-N 3.13Å; V967-H969 PolarHBondContact O-N 2.99Å; V967-I970 PolarHBondContact O-N 2.94Å; V967-L971 HydrophobicContact CG1-CD1 4.14Å; V967-L971 WeakPolarHBondContact O-CG 3.26Å; V967-L971 PolarHBondContact O-N 2.88Å; V967-L1095 HydrophobicContact CG2-CD2 4.25Å; V967-V1103 HydrophobicContact CG1-CG1 4.42Å; V967-V1103 HydrophobicContact CG2-CG1 4.23Å; V967-I1106 HydrophobicContact CG2-CB 4.22Å; V967-I1106 HydrophobicContact CG2-CG2 3.76Å; V967-A1107 HydrophobicContact CG1-CB 3.92Å; V967-M1269 HydrophobicContact CG1-CE 4Å |
| 968 | P | 95 | Very high | 93.7 | Very high | 1 Ų | 1 | 8 Ų | 8 | 1% | 0.006 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -62 | -36.4 | 173.4 | 20.8 | -31.9 | 0 | 0 | 0 | 113.6 | F815 G964 L965 L971 F972 | F815-P968 HydrophobicContact CB-CB 4.14Å; F815-P968 HydrophobicContact CB-CG 3.93Å; F815-P968 HydrophobicContact CD1-CB 4Å; F815-P968 HydrophobicContact CD2-CB 3.91Å; F815-P968 HydrophobicContact CD2-CG 4.12Å; F815-P968 HydrophobicContact CE1-CB 4.36Å; F815-P968 HydrophobicContact CE2-CB 4.3Å; F815-P968 HydrophobicContact CG-CB 3.75Å; F815-P968 HydrophobicContact CG-CG 4.02Å; G964-P968 WeakPolarHBondContact O-CD 3.46Å; L965-P968 WeakPolarHBondContact O-CD 3.47Å; L965-P968 VanDerWaalsContact O-CG 3.23Å; L965-P968 WeakPolarHBondContact O-CG 3.36Å; P968-L971 PolarHBondContact O-N 3.14Å; P968-F972 WeakPolarHBondContact O-CD2 3.46Å; P968-F972 PolarHBondContact O-N 2.89Å |
| 969 | H | 95.6 | Very high | 94 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.005 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -60.7 | -46.7 | 173.6 | -77.3 | -92.2 | 0 | 0 | 0 | 111.7 | F815 N902 L935 V959 L965 M966 V967 L971 F972 V973 | F815-H969 AromaticContact CD2-CD2 3.59Å; F815-H969 AromaticContact CD2-CG 3.97Å; F815-H969 AromaticContact CD2-NE2 3.62Å; F815-H969 HydrophobicContact CE2-CB 4.37Å; F815-H969 AromaticContact CE2-CD2 3.84Å; F815-H969 AromaticContact CE2-CE1 3.92Å; F815-H969 AromaticContact CE2-CG 3.7Å; F815-H969 AromaticContact CE2-ND1 3.76Å; F815-H969 AromaticContact CE2-NE2 3.96Å; N902-H969 PolarHBondContact O-CE1 3.44Å; N902-H969 PolarHBondContact O-ND1 3.49Å; L935-H969 HydrophobicContact CD1-CB 3.88Å; L935-H969 HydrophobicContact CD2-CB 4.18Å; V959-H969 HydrophobicContact CG2-CB 3.82Å; L965-H969 PolarHBondContact O-CD2 3.4Å; M966-H969 PolarHBondContact O-N 3.28Å; V967-H969 PolarHBondContact O-N 2.99Å; H969-L971 VanDerWaalsContact C-N 3.34Å; H969-L971 PolarHBondContact O-N 3.29Å; H969-F972 PolarHBondContact O-N 3.3Å; H969-V973 PolarHBondContact O-N 3.37Å; H969-V973 VanDerWaalsContact O-N 3.13Å |
| 970 | I | 94.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -57.8 | -45.2 | 173.9 | -69.5 | 164 | 0 | 0 | 0 | 111.2 | I931 L935 F952 M966 V967 F972 S974 L1095 V1103 | I931-I970 HydrophobicContact CD1-CG2 4.01Å; I931-I970 HydrophobicContact CG2-CG2 4.09Å; L935-I970 HydrophobicContact CB-CG1 4.41Å; L935-I970 HydrophobicContact CD1-CG1 3.72Å; L935-I970 HydrophobicContact CG-CG1 3.7Å; F952-I970 HydrophobicContact CZ-CD1 4.46Å; M966-I970 VanDerWaalsContact O-CG1 3.27Å; M966-I970 WeakPolarHBondContact O-CG1 3.32Å; M966-I970 PolarHBondContact O-N 3.14Å; V967-I970 PolarHBondContact O-N 2.94Å; I970-F972 PolarHBondContact O-N 2.95Å; I970-S974 WeakPolarHBondContact O-CB 3.23Å; I970-S974 PolarHBondContact O-N 3.13Å; I970-S974 PolarHBondContact O-OG 2.76Å; I970-L1095 HydrophobicContact CD1-CD1 4.35Å; I970-V1103 HydrophobicContact CD1-CG1 3.96Å; I970-V1103 HydrophobicContact CD1-CG2 4.3Å; I970-V1103 HydrophobicContact CG2-CG1 4.35Å |
| 971 | L | 94 | Very high | 94.6 | Very high | 3 Ų | 3 | 9 Ų | 9 | 2% | 0.016 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -61.2 | -43.6 | -179.4 | -81.4 | 166.5 | 0 | 0 | 0 | 113.1 | F808 V967 P968 H969 E975 I1265 N1268 M1269 | F808-L971 HydrophobicContact CZ-CD1 4.2Å; V967-L971 HydrophobicContact CG1-CD1 4.14Å; V967-L971 WeakPolarHBondContact O-CG 3.26Å; V967-L971 PolarHBondContact O-N 2.88Å; P968-L971 PolarHBondContact O-N 3.14Å; H969-L971 VanDerWaalsContact C-N 3.34Å; H969-L971 PolarHBondContact O-N 3.29Å; L971-E975 WeakPolarHBondContact O-CB 3.4Å; L971-E975 PolarHBondContact O-N 3.4Å; L971-I1265 HydrophobicContact CD1-CD1 4.43Å; L971-I1265 HydrophobicContact CD1-CG1 3.82Å; L971-I1265 HydrophobicContact CD2-CG1 4.14Å; L971-N1268 HydrophobicContact CD2-CB 4.18Å; L971-M1269 HydrophobicContact CD1-CE 4.27Å; L971-M1269 HydrophobicContact CD2-CE 3.82Å; L971-M1269 HydrophobicContact CD2-CG 4.1Å; L971-M1269 HydrophobicContact CD2-SD 4.34Å; L971-M1269 HydrophobicContact CG-CE 3.97Å |
| 972 | F | 95.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 14.2 Ų | 14.2 | 0% | 0.004 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -76.4 | -32.6 | -178 | -85.3 | -94.6 | 0 | 0 | 0 | 113.1 | F812 F815 V903 P968 H969 I970 E975 H976 I1003 M1007 I1264 | F812-F972 HydrophobicContact CE2-CE2 4.19Å; F812-F972 HydrophobicContact CE2-CZ 4.27Å; F815-F972 HydrophobicContact CD1-CE2 4.46Å; F815-F972 AromaticContact CE1-CD2 3.5Å; F815-F972 HydrophobicContact CE1-CD2 3.5Å; F815-F972 AromaticContact CE1-CE2 3.59Å; F815-F972 HydrophobicContact CE1-CE2 3.59Å; F815-F972 HydrophobicContact CE1-CG 4.1Å; F815-F972 HydrophobicContact CE1-CZ 4.25Å; F815-F972 HydrophobicContact CZ-CB 4.11Å; F815-F972 AromaticContact CZ-CD2 3.58Å; F815-F972 HydrophobicContact CZ-CD2 3.58Å; F815-F972 HydrophobicContact CZ-CE2 4.17Å; F815-F972 AromaticContact CZ-CG 3.88Å; F815-F972 HydrophobicContact CZ-CG 3.88Å; V903-F972 HydrophobicContact CG2-CB 3.73Å; P968-F972 WeakPolarHBondContact O-CD2 3.46Å; P968-F972 PolarHBondContact O-N 2.89Å; H969-F972 PolarHBondContact O-N 3.3Å; I970-F972 PolarHBondContact O-N 2.95Å; F972-E975 PolarHBondContact O-N 3.05Å; F972-H976 WeakPolarHBondContact O-CB 3.3Å; F972-H976 PolarHBondContact O-N 2.92Å; F972-I1003 HydrophobicContact CD1-CG2 4.07Å; F972-M1007 HydrophobicContact CD1-CE 3.67Å; F972-M1007 HydrophobicContact CE1-CB 4.24Å; F972-M1007 HydrophobicContact CE1-CE 3.68Å; F972-M1007 HydrophobicContact CE1-CG 4.41Å; F972-M1007 HydrophobicContact CG-CE 4.17Å; F972-M1007 HydrophobicContact CZ-CE 4.19Å; F972-I1264 HydrophobicContact CE1-CD1 4.33Å; F972-I1264 HydrophobicContact CZ-CD1 4.15Å |
| 973 | V | 95.3 | Very high | 95.1 | Very high | 5 Ų | 5 | 15.3 Ų | 15.3 | 3% | 0.03 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -68.3 | -39.1 | 169.9 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | V903 L922 L935 H969 H976 N977 | V903-V973 HydrophobicContact CG1-CG2 4.04Å; L922-V973 HydrophobicContact CB-CG1 4.37Å; L922-V973 HydrophobicContact CD1-CG1 4.32Å; L922-V973 HydrophobicContact CD1-CG2 4.02Å; L935-V973 HydrophobicContact CD2-CB 4.27Å; L935-V973 HydrophobicContact CD2-CG2 3.75Å; H969-V973 PolarHBondContact O-N 3.37Å; H969-V973 VanDerWaalsContact O-N 3.13Å; V973-H976 PolarHBondContact O-N 3.07Å; V973-N977 PolarHBondContact O-N 3.15Å |
| 974 | S | 94.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.007 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.1 | -49.2 | 170.7 | -79.9 | 0 | 0 | 0 | 0 | 112.5 | I931 H933 I970 H976 N977 R978 N1268 | I931-S974 VanDerWaalsContact CG2-OG 3.31Å; I931-S974 WeakPolarHBondContact CG2-OG 3.4Å; H933-S974 PolarHBondContact O-OG 3.34Å; I970-S974 WeakPolarHBondContact O-CB 3.23Å; I970-S974 PolarHBondContact O-N 3.13Å; I970-S974 PolarHBondContact O-OG 2.76Å; S974-H976 PolarHBondContact O-N 3.39Å; S974-N977 PolarHBondContact O-N 3.19Å; S974-R978 VanDerWaalsContact O-CB 3.28Å; S974-R978 WeakPolarHBondContact O-CB 3.38Å; S974-R978 PolarHBondContact O-N 3.49Å; S974-N1268 VanDerWaalsContact C-OD1 3.25Å; S974-N1268 WeakPolarHBondContact CB-OD1 3.35Å; S974-N1268 PolarHBondContact O-OD1 3.36Å |
| 975 | E | 96 | Very high | 95.4 | Very high | 10 Ų | 10 | 25.1 Ų | 25.1 | 5% | 0.047 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.3 | -37.6 | -179.7 | -173.9 | 67.4 | 176.5 | 0 | 0 | 112.1 | L971 F972 R978 I979 I1003 I1264 N1267 N1268 | L971-E975 WeakPolarHBondContact O-CB 3.4Å; L971-E975 PolarHBondContact O-N 3.4Å; F972-E975 PolarHBondContact O-N 3.05Å; E975-R978 VanDerWaalsContact CD-NH2 3.27Å; E975-R978 PolarHBondContact O-N 3.26Å; E975-R978 IonicContact OE1-CZ 2.75Å; E975-R978 IonicContact OE1-NE 3.81Å; E975-R978 IonicContact OE1-NH2 2.68Å; E975-R978 PolarHBondContact OE1-NH2 3.41Å; E975-R978 IonicContact OE2-CZ 3.71Å; E975-R978 IonicContact OE2-NE 3.3Å; E975-R978 PolarHBondContact OE2-NE 3.15Å; E975-R978 IonicContact OE2-NH2 2.83Å; E975-R978 PolarHBondContact OE2-NH2 3.05Å; E975-I979 HydrophobicContact CG-CD1 3.97Å; E975-I979 WeakPolarHBondContact O-CB 3.2Å; E975-I979 VanDerWaalsContact O-CG1 3.29Å; E975-I979 WeakPolarHBondContact O-CG1 3.19Å; E975-I979 PolarHBondContact O-N 3.49Å; E975-I1003 HydrophobicContact CB-CD1 4.11Å; E975-I1003 HydrophobicContact CG-CD1 3.76Å; E975-I1264 HydrophobicContact CB-CG2 4.13Å; E975-I1264 HydrophobicContact CG-CG1 4.45Å; E975-I1264 HydrophobicContact CG-CG2 4.27Å; E975-N1267 PolarHBondContact OE1-ND2 2.84Å; E975-N1268 PolarHBondContact N-OD1 2.91Å; E975-N1268 PolarHBondContact OE2-ND2 3.31Å |
| 976 | H | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.7 | -57.4 | 170.8 | 176.6 | 102.7 | 0 | 0 | 0 | 110.5 | Y904 G920 L922 F972 V973 S974 R978 I979 A980 Y996 T999 I1003 | Y904-H976 AromaticContact CE1-CE1 3.68Å; Y904-H976 AromaticContact CE1-ND1 3.36Å; Y904-H976 WeakPolarHBondContact CE1-ND1 3.45Å; Y904-H976 AromaticContact CZ-ND1 3.51Å; Y904-H976 PolarHBondContact OH-ND1 2.81Å; G920-H976 PolarHBondContact O-NE2 3.28Å; G920-H976 VanDerWaalsContact O-NE2 3.08Å; L922-H976 HydrophobicContact CD1-CB 4.24Å; F972-H976 WeakPolarHBondContact O-CB 3.3Å; F972-H976 PolarHBondContact O-N 2.92Å; V973-H976 PolarHBondContact O-N 3.07Å; S974-H976 PolarHBondContact O-N 3.39Å; H976-R978 PolarHBondContact O-N 2.89Å; H976-I979 PolarHBondContact O-N 3.04Å; H976-A980 WeakPolarHBondContact O-CB 3.4Å; H976-A980 PolarHBondContact O-N 3.29Å; H976-Y996 AromaticContact CE1-CD2 3.91Å; H976-T999 HydrophobicContact CB-CG2 4.27Å; H976-T999 VanDerWaalsContact ND1-CG2 3.29Å; H976-T999 WeakPolarHBondContact ND1-CG2 3.33Å; H976-T999 WeakPolarHBondContact O-CG2 3.43Å; H976-I1003 HydrophobicContact CB-CD1 4.46Å; H976-I1003 HydrophobicContact CB-CG1 4.21Å |
| 977 | N | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.7 | -30.9 | -176.1 | -81.8 | -9.1 | 0 | 0 | 0 | 112.5 | K921 L922 Y924 H933 V973 S974 D981 | K921-N977 WeakPolarHBondContact CA-OD1 3.19Å; K921-N977 VanDerWaalsContact CB-OD1 3.24Å; K921-N977 WeakPolarHBondContact CB-OD1 3.28Å; L922-N977 PolarHBondContact N-OD1 3.2Å; L922-N977 PolarHBondContact O-ND2 3.12Å; L922-N977 PolarHBondContact O-OD1 3.17Å; Y924-N977 WeakPolarHBondContact CD1-ND2 3.49Å; H933-N977 HydrophobicContact CB-CB 3.92Å; H933-N977 WeakPolarHBondContact ND1-CB 3.3Å; V973-N977 PolarHBondContact O-N 3.15Å; S974-N977 PolarHBondContact O-N 3.19Å; N977-D981 VanDerWaalsContact O-CB 3.28Å; N977-D981 WeakPolarHBondContact O-CB 3.3Å; N977-D981 PolarHBondContact O-N 2.9Å; N977-D981 VanDerWaalsContact O-N 3.13Å |
| 978 | R | 95.4 | Very high | 95.3 | Very high | 65 Ų | 65 | 37.4 Ų | 37.4 | 25% | 0.245 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.6 | -37.1 | 173 | -166.3 | -163.7 | 67.4 | 71.5 | 1.5 | 112.9 | S974 E975 H976 R982 N1267 | S974-R978 VanDerWaalsContact O-CB 3.28Å; S974-R978 WeakPolarHBondContact O-CB 3.38Å; S974-R978 PolarHBondContact O-N 3.49Å; E975-R978 VanDerWaalsContact CD-NH2 3.27Å; E975-R978 PolarHBondContact O-N 3.26Å; E975-R978 IonicContact OE1-CZ 2.75Å; E975-R978 IonicContact OE1-NE 3.81Å; E975-R978 IonicContact OE1-NH2 2.68Å; E975-R978 PolarHBondContact OE1-NH2 3.41Å; E975-R978 IonicContact OE2-CZ 3.71Å; E975-R978 IonicContact OE2-NE 3.3Å; E975-R978 PolarHBondContact OE2-NE 3.15Å; E975-R978 IonicContact OE2-NH2 2.83Å; E975-R978 PolarHBondContact OE2-NH2 3.05Å; H976-R978 PolarHBondContact O-N 2.89Å; R978-R982 WeakPolarHBondContact O-CG 3.42Å; R978-R982 PolarHBondContact O-N 3.08Å; R978-N1267 WeakPolarHBondContact CD-O 3.44Å; R978-N1267 PolarHBondContact NH2-ND2 3.25Å |
| 979 | I | 96.6 | Very high | 95.3 | Very high | 23 Ų | 23 | 45 Ų | 45 | 12% | 0.118 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -76.8 | -43.9 | 176.8 | -69.4 | 172.6 | 0 | 0 | 0 | 110.8 | E975 H976 D981 R982 L983 T999 I1002 I1003 | E975-I979 HydrophobicContact CG-CD1 3.97Å; E975-I979 WeakPolarHBondContact O-CB 3.2Å; E975-I979 VanDerWaalsContact O-CG1 3.29Å; E975-I979 WeakPolarHBondContact O-CG1 3.19Å; E975-I979 PolarHBondContact O-N 3.49Å; H976-I979 PolarHBondContact O-N 3.04Å; I979-D981 VanDerWaalsContact C-N 3.32Å; I979-D981 PolarHBondContact O-N 2.89Å; I979-R982 PolarHBondContact O-N 3.16Å; I979-R982 VanDerWaalsContact O-N 3.14Å; I979-L983 HydrophobicContact CG2-CD1 3.92Å; I979-L983 HydrophobicContact CG2-CG 4.21Å; I979-L983 PolarHBondContact O-N 2.92Å; I979-T999 HydrophobicContact CB-CG2 3.99Å; I979-T999 HydrophobicContact CG2-CG2 3.9Å; I979-I1002 HydrophobicContact CD1-CG2 4.13Å; I979-I1002 HydrophobicContact CG2-CD1 4.32Å; I979-I1003 HydrophobicContact CD1-CD1 4.07Å |
| 980 | A | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.8 | -44.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K921 H976 R982 L983 Y984 I995 T999 | K921-A980 HydrophobicContact CG-CB 3.94Å; H976-A980 WeakPolarHBondContact O-CB 3.4Å; H976-A980 PolarHBondContact O-N 3.29Å; A980-R982 PolarHBondContact O-N 3.24Å; A980-L983 PolarHBondContact O-N 3.45Å; A980-Y984 WeakPolarHBondContact O-CB 3.41Å; A980-Y984 PolarHBondContact O-N 3.41Å; A980-I995 HydrophobicContact CB-CG2 4.03Å; A980-T999 WeakPolarHBondContact CA-OG1 3.36Å; A980-T999 HydrophobicContact CB-CG2 4.13Å |
| 981 | D | 95.1 | Very high | 95.5 | Very high | 42 Ų | 42 | 51.4 Ų | 51.4 | 23% | 0.225 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.3 | -46.4 | 174.4 | -168.7 | 78.5 | 0 | 0 | 0 | 112.8 | K921 N977 I979 Y984 H985 | K921-D981 IonicContact NZ-OD1 3.08Å; K921-D981 PolarHBondContact NZ-OD1 3.25Å; N977-D981 VanDerWaalsContact O-CB 3.28Å; N977-D981 WeakPolarHBondContact O-CB 3.3Å; N977-D981 PolarHBondContact O-N 2.9Å; N977-D981 VanDerWaalsContact O-N 3.13Å; I979-D981 VanDerWaalsContact C-N 3.32Å; I979-D981 PolarHBondContact O-N 2.89Å; D981-Y984 PolarHBondContact O-N 3.08Å; D981-H985 PolarHBondContact O-CD2 3.15Å; D981-H985 PolarHBondContact O-N 3.26Å; D981-H985 IonicContact OD2-CD2 3.76Å; D981-H985 IonicContact OD2-NE2 2.67Å |
| 982 | R | 96 | Very high | 95.6 | Very high | 143 Ų | 143 | 52.9 Ų | 52.9 | 54% | 0.54 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -71.5 | -34.9 | 178.1 | -65.2 | -63.6 | -178.3 | 132.3 | 2 | 112.6 | R978 I979 A980 H985 L986 | R978-R982 WeakPolarHBondContact O-CG 3.42Å; R978-R982 PolarHBondContact O-N 3.08Å; I979-R982 PolarHBondContact O-N 3.16Å; I979-R982 VanDerWaalsContact O-N 3.14Å; A980-R982 PolarHBondContact O-N 3.24Å; R982-H985 PolarHBondContact O-N 3.05Å; R982-L986 WeakPolarHBondContact O-CB 3.08Å; R982-L986 VanDerWaalsContact O-CG 3.25Å; R982-L986 WeakPolarHBondContact O-CG 3.45Å; R982-L986 PolarHBondContact O-N 3.03Å |
| 983 | L | 96.8 | Very high | 95.7 | Very high | 26 Ų | 26 | 56.6 Ų | 56.6 | 14% | 0.136 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.4 | -38.6 | 174.5 | -74.9 | 178.4 | 0 | 0 | 0 | 112.1 | I979 A980 L986 N987 I995 E998 I1002 | I979-L983 HydrophobicContact CG2-CD1 3.92Å; I979-L983 HydrophobicContact CG2-CG 4.21Å; I979-L983 PolarHBondContact O-N 2.92Å; A980-L983 PolarHBondContact O-N 3.45Å; L983-L986 PolarHBondContact O-N 3.07Å; L983-N987 WeakPolarHBondContact O-CB 3.23Å; L983-N987 PolarHBondContact O-N 3.22Å; L983-N987 PolarHBondContact O-ND2 2.79Å; L983-I995 HydrophobicContact CB-CG2 4.17Å; L983-E998 HydrophobicContact CD1-CB 4.27Å; L983-I1002 HydrophobicContact CD1-CD1 4.11Å |
| 984 | Y | 95.5 | Very high | 95.8 | Very high | 77 Ų | 77 | 59.7 Ų | 59.7 | 30% | 0.302 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 171.5 | 175.2 | -109.1 | 0 | 0 | 0 | 111.6 | Q919 A980 D981 L986 N987 S988 I995 | Q919-Y984 HydrophobicContact CB-CD2 4.4Å; Q919-Y984 HydrophobicContact CB-CG 4.23Å; Q919-Y984 HydrophobicContact CG-CD1 3.96Å; Q919-Y984 HydrophobicContact CG-CD2 4.07Å; Q919-Y984 HydrophobicContact CG-CE1 3.98Å; Q919-Y984 HydrophobicContact CG-CE2 4.09Å; Q919-Y984 HydrophobicContact CG-CG 4Å; A980-Y984 WeakPolarHBondContact O-CB 3.41Å; A980-Y984 PolarHBondContact O-N 3.41Å; D981-Y984 PolarHBondContact O-N 3.08Å; Y984-L986 VanDerWaalsContact C-N 3.32Å; Y984-L986 PolarHBondContact O-N 3.41Å; Y984-N987 CarbonylContact O-C 3.48Å; Y984-N987 PolarHBondContact O-N 3.48Å; Y984-S988 VanDerWaalsContact O-CA 3.27Å; Y984-S988 WeakPolarHBondContact O-CA 3.47Å; Y984-S988 PolarHBondContact O-N 3.36Å; Y984-S988 VanDerWaalsContact O-N 3.11Å; Y984-I995 HydrophobicContact CD2-CD1 3.76Å; Y984-I995 HydrophobicContact CG-CD1 4.38Å |
| 985 | H | 95.4 | Very high | 95.9 | Very high | 129 Ų | 129 | 59.7 Ų | 59.7 | 60% | 0.597 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -67 | -28.7 | 176.9 | -78.7 | -56.7 | 0 | 0 | 0 | 114.2 | D981 R982 | D981-H985 PolarHBondContact O-CD2 3.15Å; D981-H985 PolarHBondContact O-N 3.26Å; D981-H985 IonicContact OD2-CD2 3.76Å; D981-H985 IonicContact OD2-NE2 2.67Å; R982-H985 PolarHBondContact O-N 3.05Å |
| 986 | L | 95.9 | Very high | 96 | Very high | 134 Ų | 134 | 59.2 Ų | 59.2 | 70% | 0.702 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -83.2 | -28.4 | 175.3 | -72 | 168.5 | 0 | 0 | 0 | 113.4 | R982 L983 Y984 | R982-L986 WeakPolarHBondContact O-CB 3.08Å; R982-L986 VanDerWaalsContact O-CG 3.25Å; R982-L986 WeakPolarHBondContact O-CG 3.45Å; R982-L986 PolarHBondContact O-N 3.03Å; L983-L986 PolarHBondContact O-N 3.07Å; Y984-L986 VanDerWaalsContact C-N 3.32Å; Y984-L986 PolarHBondContact O-N 3.41Å |
| 987 | N | 95 | Very high | 96.1 | Very high | 34 Ų | 34 | 60.3 Ų | 60.3 | 18% | 0.182 | 29% | 0.29 | C | S | . | . | trans | -135.8 | 61.5 | -173.6 | -51.7 | -92.6 | 0 | 0 | 0 | 110.3 | L983 Y984 F989 W990 | L983-N987 WeakPolarHBondContact O-CB 3.23Å; L983-N987 PolarHBondContact O-N 3.22Å; L983-N987 PolarHBondContact O-ND2 2.79Å; Y984-N987 CarbonylContact O-C 3.48Å; Y984-N987 PolarHBondContact O-N 3.48Å; N987-F989 HydrophobicContact CB-CE1 4.17Å; N987-F989 HydrophobicContact CB-CZ 4.42Å; N987-F989 PolarHBondContact O-N 3.42Å; N987-W990 HydrophobicContact CB-CB 4.35Å; N987-W990 HydrophobicContact CB-CD2 3.49Å; N987-W990 VanDerWaalsContact CB-CD2 3.49Å; N987-W990 HydrophobicContact CB-CE3 4Å; N987-W990 HydrophobicContact CB-CG 3.64Å; N987-W990 HydrophobicContact CB-CZ2 4.17Å; N987-W990 WeakPolarHBondContact O-CB 3.44Å; N987-W990 PolarHBondContact O-N 3.04Å | ||
| 988 | S | 88.4 | Confident | 96.1 | Very high | 91 Ų | 91 | 61.6 Ų | 61.6 | 64% | 0.636 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -5.3 | -173.5 | 58 | 0 | 0 | 0 | 0 | 115.6 | Y984 | Y984-S988 VanDerWaalsContact O-CA 3.27Å; Y984-S988 WeakPolarHBondContact O-CA 3.47Å; Y984-S988 PolarHBondContact O-N 3.36Å; Y984-S988 VanDerWaalsContact O-N 3.11Å |
| 989 | F | 94.7 | Very high | 96.2 | Very high | 161 Ų | 161 | 58.5 Ų | 58.5 | 71% | 0.706 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -3.5 | 173.9 | 62.7 | -85.5 | 0 | 0 | 0 | 113.6 | N987 | N987-F989 HydrophobicContact CB-CE1 4.17Å; N987-F989 HydrophobicContact CB-CZ 4.42Å; N987-F989 PolarHBondContact O-N 3.42Å |
| 990 | W | 96.2 | Very high | 96.3 | Very high | 63 Ų | 63 | 58 Ų | 58 | 24% | 0.239 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -76.6 | 142.6 | 172.8 | -72.4 | 7.1 | 0 | 0 | 0 | 111 | N987 K994 I995 E998 | N987-W990 HydrophobicContact CB-CB 4.35Å; N987-W990 HydrophobicContact CB-CD2 3.49Å; N987-W990 VanDerWaalsContact CB-CD2 3.49Å; N987-W990 HydrophobicContact CB-CE3 4Å; N987-W990 HydrophobicContact CB-CG 3.64Å; N987-W990 HydrophobicContact CB-CZ2 4.17Å; N987-W990 WeakPolarHBondContact O-CB 3.44Å; N987-W990 PolarHBondContact O-N 3.04Å; W990-K994 HydrophobicContact CB-CB 4.16Å; W990-K994 HydrophobicContact CB-CG 3.92Å; W990-K994 HydrophobicContact CD2-CG 3.61Å; W990-K994 HydrophobicContact CE3-CG 3.8Å; W990-K994 HydrophobicContact CG-CB 4.45Å; W990-K994 HydrophobicContact CG-CG 3.67Å; W990-I995 HydrophobicContact CB-CD1 4.1Å; W990-I995 HydrophobicContact CB-CG1 3.73Å; W990-I995 HydrophobicContact CE3-CG1 4.03Å; W990-E998 HydrophobicContact CH2-CG 4.11Å; W990-E998 HydrophobicContact CZ3-CB 4.07Å; W990-E998 HydrophobicContact CZ3-CG 3.75Å |
| 991 | S | 96.6 | Very high | 96.3 | Very high | 72 Ų | 72 | 59.9 Ų | 59.9 | 50% | 0.503 | 29% | 0.289 | S | S | . | . | trans | -70.3 | 161.5 | 171.7 | 60.9 | 0 | 0 | 0 | 0 | 111.9 | E993 K994 I995 | S991-E993 VanDerWaalsContact C-N 3.27Å; S991-E993 PolarHBondContact O-N 2.93Å; S991-K994 PolarHBondContact O-N 3.2Å; S991-K994 VanDerWaalsContact O-N 3.09Å; S991-K994 WeakPolarHBondContact OG-CB 3.43Å; S991-K994 PolarHBondContact OG-N 2.83Å; S991-I995 PolarHBondContact O-N 3.32Å | ||
| 992 | D | 97.4 | Very high | 96.5 | Very high | 33 Ų | 33 | 59.7 Ų | 59.7 | 18% | 0.176 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -47.3 | -50.8 | 171.7 | -179.1 | 80.3 | 0 | 0 | 0 | 112 | R915 T918 Q919 G920 K994 I995 Y996 | R915-D992 IonicContact CZ-OD2 3.64Å; R915-D992 IonicContact NE-OD2 2.76Å; R915-D992 IonicContact NH2-OD2 3.72Å; R915-D992 PolarHBondContact NH2-OD2 2.93Å; T918-D992 VanDerWaalsContact CA-OD1 3.22Å; T918-D992 WeakPolarHBondContact CA-OD1 3.25Å; T918-D992 PolarHBondContact N-OD1 2.97Å; Q919-D992 PolarHBondContact N-OD1 2.94Å; G920-D992 VanDerWaalsContact CA-O 3.3Å; G920-D992 WeakPolarHBondContact CA-O 3.23Å; G920-D992 VanDerWaalsContact CA-OD1 3.28Å; G920-D992 WeakPolarHBondContact CA-OD1 3.18Å; G920-D992 PolarHBondContact N-OD1 2.9Å; D992-K994 VanDerWaalsContact C-N 3.35Å; D992-K994 PolarHBondContact O-N 3.11Å; D992-I995 PolarHBondContact O-N 3.15Å; D992-Y996 WeakPolarHBondContact O-CB 3.43Å; D992-Y996 PolarHBondContact O-N 2.81Å |
| 993 | E | 97.2 | Very high | 96.6 | Very high | 80 Ų | 80 | 52.9 Ų | 52.9 | 37% | 0.374 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.6 | -43 | 179 | -173.4 | 59.4 | -149.7 | 0 | 0 | 112.7 | R915 S991 Y996 Q997 | R915-E993 IonicContact CZ-OE2 2.72Å; R915-E993 IonicContact NH1-OE1 3.66Å; R915-E993 IonicContact NH1-OE2 3.35Å; R915-E993 PolarHBondContact NH1-OE2 3.32Å; R915-E993 IonicContact NH2-OE2 3.77Å; R915-E993 PolarHBondContact NH2-OE2 2.96Å; S991-E993 VanDerWaalsContact C-N 3.27Å; S991-E993 PolarHBondContact O-N 2.93Å; E993-Y996 PolarHBondContact O-N 3.32Å; E993-Q997 HydrophobicContact CG-CG 4.47Å; E993-Q997 WeakPolarHBondContact O-CG 3.49Å; E993-Q997 PolarHBondContact O-N 2.83Å; E993-Q997 VanDerWaalsContact OE1-CG 3.23Å; E993-Q997 WeakPolarHBondContact OE1-CG 3.44Å; E993-Q997 PolarHBondContact OE1-NE2 3.35Å |
| 994 | K | 96.9 | Very high | 96.6 | Very high | 69 Ų | 69 | 51.9 Ų | 51.9 | 30% | 0.3 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.2 | -41.1 | 179.8 | 177.7 | 57.9 | 170 | 175.4 | 0 | 111.3 | Y737 W990 S991 D992 E998 | Y737-K994 WeakPolarHBondContact OH-CD 3.3Å; Y737-K994 PolarHBondContact OH-NZ 2.87Å; W990-K994 HydrophobicContact CB-CB 4.16Å; W990-K994 HydrophobicContact CB-CG 3.92Å; W990-K994 HydrophobicContact CD2-CG 3.61Å; W990-K994 HydrophobicContact CE3-CG 3.8Å; W990-K994 HydrophobicContact CG-CB 4.45Å; W990-K994 HydrophobicContact CG-CG 3.67Å; S991-K994 PolarHBondContact O-N 3.2Å; S991-K994 VanDerWaalsContact O-N 3.09Å; S991-K994 WeakPolarHBondContact OG-CB 3.43Å; S991-K994 PolarHBondContact OG-N 2.83Å; D992-K994 VanDerWaalsContact C-N 3.35Å; D992-K994 PolarHBondContact O-N 3.11Å; K994-E998 HydrophobicContact CD-CG 4.13Å; K994-E998 IonicContact NZ-OE1 3.73Å; K994-E998 PolarHBondContact NZ-OE1 2.92Å; K994-E998 VanDerWaalsContact O-CG 3.29Å; K994-E998 WeakPolarHBondContact O-CG 3.39Å; K994-E998 PolarHBondContact O-N 2.86Å; K994-E998 VanDerWaalsContact O-N 3.17Å |
| 995 | I | 98.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.8 | -43.6 | 176.8 | -61.6 | 158.5 | 0 | 0 | 0 | 110.3 | Q919 A980 L983 Y984 W990 S991 D992 T999 | Q919-I995 WeakPolarHBondContact O-CG2 3.44Å; A980-I995 HydrophobicContact CB-CG2 4.03Å; L983-I995 HydrophobicContact CB-CG2 4.17Å; Y984-I995 HydrophobicContact CD2-CD1 3.76Å; Y984-I995 HydrophobicContact CG-CD1 4.38Å; W990-I995 HydrophobicContact CB-CD1 4.1Å; W990-I995 HydrophobicContact CB-CG1 3.73Å; W990-I995 HydrophobicContact CE3-CG1 4.03Å; S991-I995 PolarHBondContact O-N 3.32Å; D992-I995 PolarHBondContact O-N 3.15Å; I995-T999 VanDerWaalsContact O-CB 3.28Å; I995-T999 WeakPolarHBondContact O-CB 3.28Å; I995-T999 PolarHBondContact O-N 3Å; I995-T999 PolarHBondContact O-OG1 3.18Å |
| 996 | Y | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58 | -51.6 | 177 | 170.2 | -102.5 | 0 | 0 | 0 | 111.8 | Y904 R915 G920 L922 H976 D992 E993 T999 R1000 | Y904-Y996 HydrophobicContact CD1-CE2 4.04Å; Y904-Y996 HydrophobicContact CE1-CE2 4.23Å; R915-Y996 HydrophobicContact CG-CD2 4.08Å; R915-Y996 HydrophobicContact CG-CE2 3.77Å; G920-Y996 WeakPolarHBondContact O-CA 3.01Å; L922-Y996 HydrophobicContact CD2-CE2 4.05Å; H976-Y996 AromaticContact CE1-CD2 3.91Å; D992-Y996 WeakPolarHBondContact O-CB 3.43Å; D992-Y996 PolarHBondContact O-N 2.81Å; E993-Y996 PolarHBondContact O-N 3.32Å; Y996-T999 PolarHBondContact O-N 2.88Å; Y996-R1000 VanDerWaalsContact O-CB 3.29Å; Y996-R1000 WeakPolarHBondContact O-CB 3.33Å; Y996-R1000 PolarHBondContact O-N 3.13Å |
| 997 | Q | 97.8 | Very high | 96.9 | Very high | 23 Ų | 23 | 36.1 Ų | 36.1 | 11% | 0.107 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.1 | -39 | -176.9 | -65.6 | -66.2 | -5.1 | 0 | 0 | 113 | Y737 E993 R1000 K1001 | Y737-Q997 HydrophobicContact CD1-CB 3.82Å; Y737-Q997 HydrophobicContact CD2-CB 3.85Å; Y737-Q997 HydrophobicContact CD2-CG 4.1Å; Y737-Q997 HydrophobicContact CE1-CB 3.82Å; Y737-Q997 HydrophobicContact CE2-CB 3.83Å; Y737-Q997 HydrophobicContact CE2-CG 4.34Å; Y737-Q997 HydrophobicContact CG-CB 3.87Å; Y737-Q997 HydrophobicContact CG-CG 4.33Å; E993-Q997 HydrophobicContact CG-CG 4.47Å; E993-Q997 WeakPolarHBondContact O-CG 3.49Å; E993-Q997 PolarHBondContact O-N 2.83Å; E993-Q997 VanDerWaalsContact OE1-CG 3.23Å; E993-Q997 WeakPolarHBondContact OE1-CG 3.44Å; E993-Q997 PolarHBondContact OE1-NE2 3.35Å; Q997-R1000 PolarHBondContact O-N 2.94Å; Q997-K1001 WeakPolarHBondContact O-CB 3.07Å; Q997-K1001 PolarHBondContact O-N 3.2Å |
| 998 | E | 97.4 | Very high | 97 | Very high | 26 Ų | 26 | 34.5 Ų | 34.5 | 12% | 0.121 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.6 | -40 | 173.4 | -65.9 | -64.6 | 168.9 | 0 | 0 | 111.4 | Y737 L983 W990 K994 K1001 I1002 | Y737-E998 HydrophobicContact CE1-CG 4.42Å; Y737-E998 PolarHBondContact OH-OE1 2.85Å; L983-E998 HydrophobicContact CD1-CB 4.27Å; W990-E998 HydrophobicContact CH2-CG 4.11Å; W990-E998 HydrophobicContact CZ3-CB 4.07Å; W990-E998 HydrophobicContact CZ3-CG 3.75Å; K994-E998 HydrophobicContact CD-CG 4.13Å; K994-E998 IonicContact NZ-OE1 3.73Å; K994-E998 PolarHBondContact NZ-OE1 2.92Å; K994-E998 VanDerWaalsContact O-CG 3.29Å; K994-E998 WeakPolarHBondContact O-CG 3.39Å; K994-E998 PolarHBondContact O-N 2.86Å; K994-E998 VanDerWaalsContact O-N 3.17Å; E998-K1001 PolarHBondContact O-N 3.41Å; E998-I1002 VanDerWaalsContact O-CG1 3.26Å; E998-I1002 WeakPolarHBondContact O-CG1 3.43Å; E998-I1002 PolarHBondContact O-N 3.14Å |
| 999 | T | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.3 | -46.8 | 175.8 | -53.7 | 0 | 0 | 0 | 0 | 111.2 | H976 I979 A980 I995 Y996 K1001 I1002 I1003 | H976-T999 HydrophobicContact CB-CG2 4.27Å; H976-T999 VanDerWaalsContact ND1-CG2 3.29Å; H976-T999 WeakPolarHBondContact ND1-CG2 3.33Å; H976-T999 WeakPolarHBondContact O-CG2 3.43Å; I979-T999 HydrophobicContact CB-CG2 3.99Å; I979-T999 HydrophobicContact CG2-CG2 3.9Å; A980-T999 WeakPolarHBondContact CA-OG1 3.36Å; A980-T999 HydrophobicContact CB-CG2 4.13Å; I995-T999 VanDerWaalsContact O-CB 3.28Å; I995-T999 WeakPolarHBondContact O-CB 3.28Å; I995-T999 PolarHBondContact O-N 3Å; I995-T999 PolarHBondContact O-OG1 3.18Å; Y996-T999 PolarHBondContact O-N 2.88Å; T999-K1001 VanDerWaalsContact C-N 3.34Å; T999-K1001 PolarHBondContact O-N 3.35Å; T999-I1002 PolarHBondContact O-N 3.27Å; T999-I1003 HydrophobicContact CG2-CG1 4.42Å; T999-I1003 WeakPolarHBondContact O-CG1 3.45Å; T999-I1003 PolarHBondContact O-N 3.05Å |
| 1000 | R | 98 | Very high | 97.5 | Very high | 12 Ų | 12 | 22.8 Ų | 22.8 | 5% | 0.045 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57 | -45.8 | 174.5 | 170.9 | 167 | 175.8 | -106.6 | -1.4 | 111.7 | R738 T739 Y904 Y996 Q997 I1002 I1003 G1004 | R738-R1000 PolarHBondContact O-NH1 2.93Å; T739-R1000 PolarHBondContact O-NH2 2.7Å; Y904-R1000 HydrophobicContact CD1-CG 4.33Å; Y904-R1000 HydrophobicContact CD2-CB 4.49Å; Y904-R1000 HydrophobicContact CD2-CG 3.72Å; Y904-R1000 HydrophobicContact CE1-CB 4.08Å; Y904-R1000 HydrophobicContact CE1-CG 4.28Å; Y904-R1000 HydrophobicContact CE2-CB 4.08Å; Y904-R1000 HydrophobicContact CE2-CG 3.67Å; Y904-R1000 HydrophobicContact CG-CG 4.08Å; Y996-R1000 VanDerWaalsContact O-CB 3.29Å; Y996-R1000 WeakPolarHBondContact O-CB 3.33Å; Y996-R1000 PolarHBondContact O-N 3.13Å; Q997-R1000 PolarHBondContact O-N 2.94Å; R1000-I1002 PolarHBondContact O-N 2.86Å; R1000-I1003 PolarHBondContact O-N 3Å; R1000-G1004 PolarHBondContact O-N 3.37Å |
| 1001 | K | 97.8 | Very high | 97.6 | Very high | 41 Ų | 41 | 19.8 Ų | 19.8 | 18% | 0.178 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.9 | -43.8 | 176.8 | -174.7 | 178.1 | 178.6 | 165.1 | 0 | 112.1 | P736 Y737 Q997 E998 T999 A1005 N1246 F1248 | P736-K1001 PolarHBondContact O-NZ 2.98Å; Y737-K1001 HydrophobicContact CD1-CD 4.11Å; Y737-K1001 HydrophobicContact CE1-CD 4.17Å; Q997-K1001 WeakPolarHBondContact O-CB 3.07Å; Q997-K1001 PolarHBondContact O-N 3.2Å; E998-K1001 PolarHBondContact O-N 3.41Å; T999-K1001 VanDerWaalsContact C-N 3.34Å; T999-K1001 PolarHBondContact O-N 3.35Å; K1001-A1005 WeakPolarHBondContact O-CB 3.4Å; K1001-A1005 PolarHBondContact O-N 3.17Å; K1001-N1246 WeakPolarHBondContact CE-O 3.5Å; K1001-N1246 PolarHBondContact NZ-O 3Å; K1001-F1248 HydrophobicContact CD-CE1 4.42Å; K1001-F1248 HydrophobicContact CD-CZ 4.35Å; K1001-F1248 HydrophobicContact CG-CE1 4.15Å; K1001-F1248 HydrophobicContact CG-CE2 4.46Å; K1001-F1248 HydrophobicContact CG-CZ 3.72Å |
| 1002 | I | 98 | Very high | 97.6 | Very high | 38 Ų | 38 | 16.4 Ų | 16.4 | 20% | 0.195 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.9 | -46.6 | 175.3 | -67.3 | 167.1 | 0 | 0 | 0 | 111.1 | I979 L983 E998 T999 R1000 G1004 A1005 V1006 F1248 | I979-I1002 HydrophobicContact CD1-CG2 4.13Å; I979-I1002 HydrophobicContact CG2-CD1 4.32Å; L983-I1002 HydrophobicContact CD1-CD1 4.11Å; E998-I1002 VanDerWaalsContact O-CG1 3.26Å; E998-I1002 WeakPolarHBondContact O-CG1 3.43Å; E998-I1002 PolarHBondContact O-N 3.14Å; T999-I1002 PolarHBondContact O-N 3.27Å; R1000-I1002 PolarHBondContact O-N 2.86Å; I1002-G1004 PolarHBondContact O-N 3.27Å; I1002-A1005 WeakPolarHBondContact O-CB 3.45Å; I1002-A1005 PolarHBondContact O-N 3.4Å; I1002-V1006 HydrophobicContact CG2-CG2 4.3Å; I1002-V1006 VanDerWaalsContact O-CG2 3.32Å; I1002-V1006 WeakPolarHBondContact O-CG2 3.25Å; I1002-V1006 PolarHBondContact O-N 3.12Å; I1002-F1248 HydrophobicContact CG1-CE1 4.17Å |
| 1003 | I | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63 | -43.6 | -178.7 | -70.5 | -70.5 | 0 | 0 | 0 | 111.9 | A900 Y904 F972 E975 H976 I979 T999 R1000 A1005 V1006 M1007 | A900-I1003 HydrophobicContact CB-CG2 4.22Å; Y904-I1003 HydrophobicContact CE2-CB 4.37Å; Y904-I1003 HydrophobicContact CE2-CG2 4Å; Y904-I1003 VanDerWaalsContact OH-CB 3.22Å; Y904-I1003 WeakPolarHBondContact OH-CB 3.39Å; Y904-I1003 WeakPolarHBondContact OH-CG1 3.39Å; Y904-I1003 VanDerWaalsContact OH-CG2 3.31Å; Y904-I1003 WeakPolarHBondContact OH-CG2 3.5Å; F972-I1003 HydrophobicContact CD1-CG2 4.07Å; E975-I1003 HydrophobicContact CB-CD1 4.11Å; E975-I1003 HydrophobicContact CG-CD1 3.76Å; H976-I1003 HydrophobicContact CB-CD1 4.46Å; H976-I1003 HydrophobicContact CB-CG1 4.21Å; I979-I1003 HydrophobicContact CD1-CD1 4.07Å; T999-I1003 HydrophobicContact CG2-CG1 4.42Å; T999-I1003 WeakPolarHBondContact O-CG1 3.45Å; T999-I1003 PolarHBondContact O-N 3.05Å; R1000-I1003 PolarHBondContact O-N 3Å; I1003-A1005 PolarHBondContact O-N 2.88Å; I1003-V1006 PolarHBondContact O-N 3.05Å; I1003-M1007 PolarHBondContact O-N 2.94Å |
| 1004 | G | 97.5 | Very high | 97.3 | Very high | 4 Ų | 4 | 15.8 Ų | 15.8 | 4% | 0.041 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59.5 | -45.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | R1000 I1002 V1006 M1007 Q1008 | R1000-G1004 PolarHBondContact O-N 3.37Å; I1002-G1004 PolarHBondContact O-N 3.27Å; G1004-V1006 VanDerWaalsContact C-N 3.34Å; G1004-V1006 PolarHBondContact O-N 3.19Å; G1004-M1007 PolarHBondContact O-N 2.04Å; G1004-Q1008 WeakPolarHBondContact O-CG 3.44Å; G1004-Q1008 PolarHBondContact O-N 2.89Å |
| 1005 | A | 97.9 | Very high | 97.2 | Very high | 4 Ų | 4 | 12.6 Ų | 12.6 | 3% | 0.033 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -60.9 | -40 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | K1001 I1002 I1003 H1009 Y1239 F1248 I1256 | K1001-A1005 WeakPolarHBondContact O-CB 3.4Å; K1001-A1005 PolarHBondContact O-N 3.17Å; I1002-A1005 WeakPolarHBondContact O-CB 3.45Å; I1002-A1005 PolarHBondContact O-N 3.4Å; I1003-A1005 PolarHBondContact O-N 2.88Å; A1005-H1009 VanDerWaalsContact O-CB 3.25Å; A1005-H1009 WeakPolarHBondContact O-CB 3.47Å; A1005-H1009 PolarHBondContact O-N 3.23Å; A1005-Y1239 VanDerWaalsContact CB-CB 3.48Å; A1005-Y1239 HydrophobicContact CB-CG 4.17Å; A1005-F1248 HydrophobicContact CB-CE2 3.62Å; A1005-F1248 HydrophobicContact CB-CZ 3.69Å; A1005-I1256 HydrophobicContact CB-CD1 4.06Å; A1005-I1256 HydrophobicContact CB-CG2 4.38Å |
| 1006 | V | 97.6 | Very high | 97.2 | Very high | 5 Ų | 5 | 12.5 Ų | 12.5 | 3% | 0.03 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -66.4 | -39.1 | 175.5 | 168.4 | 0 | 0 | 0 | 0 | 111.4 | I1002 I1003 G1004 H1009 I1010 T1259 I1264 | I1002-V1006 HydrophobicContact CG2-CG2 4.3Å; I1002-V1006 VanDerWaalsContact O-CG2 3.32Å; I1002-V1006 WeakPolarHBondContact O-CG2 3.25Å; I1002-V1006 PolarHBondContact O-N 3.12Å; I1003-V1006 PolarHBondContact O-N 3.05Å; G1004-V1006 VanDerWaalsContact C-N 3.34Å; G1004-V1006 PolarHBondContact O-N 3.19Å; V1006-H1009 PolarHBondContact O-N 3.08Å; V1006-I1010 HydrophobicContact CG1-CD1 3.72Å; V1006-I1010 HydrophobicContact CG1-CG1 4.47Å; V1006-I1010 VanDerWaalsContact O-CB 3.3Å; V1006-I1010 WeakPolarHBondContact O-CB 3.43Å; V1006-I1010 WeakPolarHBondContact O-CG1 3.4Å; V1006-I1010 PolarHBondContact O-N 3.39Å; V1006-T1259 HydrophobicContact CG2-CG2 3.95Å; V1006-I1264 HydrophobicContact CG1-CD1 3.7Å |
| 1007 | M | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66 | -48 | 175.7 | -164 | 175.9 | -62.7 | 0 | 0 | 111.6 | F815 I898 A900 F972 I1003 G1004 H1009 I1010 T1011 | F815-M1007 HydrophobicContact CE1-CE 3.64Å; F815-M1007 HydrophobicContact CE1-SD 4.26Å; F815-M1007 HydrophobicContact CZ-CE 3.82Å; I898-M1007 HydrophobicContact CG2-CG 4.19Å; I898-M1007 HydrophobicContact CG2-SD 4.48Å; A900-M1007 HydrophobicContact CB-CE 3.49Å; A900-M1007 VanDerWaalsContact CB-CE 3.49Å; A900-M1007 HydrophobicContact CB-SD 4.11Å; F972-M1007 HydrophobicContact CD1-CE 3.67Å; F972-M1007 HydrophobicContact CE1-CB 4.24Å; F972-M1007 HydrophobicContact CE1-CE 3.68Å; F972-M1007 HydrophobicContact CE1-CG 4.41Å; F972-M1007 HydrophobicContact CG-CE 4.17Å; F972-M1007 HydrophobicContact CZ-CE 4.19Å; I1003-M1007 PolarHBondContact O-N 2.94Å; G1004-M1007 PolarHBondContact O-N 2.04Å; M1007-H1009 VanDerWaalsContact C-N 3.32Å; M1007-H1009 PolarHBondContact O-N 3.46Å; M1007-I1010 PolarHBondContact O-N 2.96Å; M1007-T1011 WeakPolarHBondContact O-CB 3.19Å; M1007-T1011 PolarHBondContact O-N 2.78Å; M1007-T1011 PolarHBondContact O-OG1 3.08Å |
| 1008 | Q | 97.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.005 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -54 | -48.1 | 172.8 | -71.7 | -172.5 | -9.3 | 0 | 0 | 111.7 | R738 I898 G1004 T1011 F1012 D1235 W1238 Y1239 | R738-Q1008 VanDerWaalsContact NH2-NE2 3.14Å; I898-Q1008 HydrophobicContact CB-CG 4.08Å; I898-Q1008 HydrophobicContact CG2-CG 3.88Å; I898-Q1008 VanDerWaalsContact O-CG 3.26Å; I898-Q1008 WeakPolarHBondContact O-CG 3.45Å; I898-Q1008 PolarHBondContact O-NE2 2.68Å; G1004-Q1008 WeakPolarHBondContact O-CG 3.44Å; G1004-Q1008 PolarHBondContact O-N 2.89Å; Q1008-T1011 PolarHBondContact O-N 3.45Å; Q1008-F1012 PolarHBondContact O-N 2.93Å; Q1008-F1012 VanDerWaalsContact O-N 3.07Å; Q1008-D1235 PolarHBondContact NE2-OD2 3.32Å; Q1008-W1238 HydrophobicContact CB-CE3 4.37Å; Q1008-W1238 HydrophobicContact CB-CH2 4.15Å; Q1008-W1238 HydrophobicContact CB-CZ3 3.8Å; Q1008-W1238 HydrophobicContact CG-CE3 4.23Å; Q1008-W1238 HydrophobicContact CG-CZ3 3.96Å; Q1008-W1238 VanDerWaalsContact OE1-CE3 3.26Å; Q1008-Y1239 HydrophobicContact CB-CD1 3.79Å; Q1008-Y1239 HydrophobicContact CB-CE1 4.36Å |
| 1009 | H | 97.7 | Very high | 96.8 | Very high | 5 Ų | 5 | 12.5 Ų | 12.5 | 2% | 0.023 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -61.8 | -49.4 | 179.4 | -171.3 | 64.7 | 0 | 0 | 0 | 112.3 | A1005 V1006 M1007 T1011 F1012 K1013 Y1239 I1256 R1257 T1259 | A1005-H1009 VanDerWaalsContact O-CB 3.25Å; A1005-H1009 WeakPolarHBondContact O-CB 3.47Å; A1005-H1009 PolarHBondContact O-N 3.23Å; V1006-H1009 PolarHBondContact O-N 3.08Å; M1007-H1009 VanDerWaalsContact C-N 3.32Å; M1007-H1009 PolarHBondContact O-N 3.46Å; H1009-T1011 VanDerWaalsContact C-N 3.3Å; H1009-T1011 PolarHBondContact O-N 3.46Å; H1009-F1012 PolarHBondContact O-N 3.31Å; H1009-K1013 VanDerWaalsContact CE1-CD 3.48Å; H1009-K1013 WeakPolarHBondContact CE1-CD 3.41Å; H1009-K1013 WeakPolarHBondContact NE2-CD 3.43Å; H1009-K1013 PolarHBondContact NE2-NZ 3.07Å; H1009-K1013 WeakPolarHBondContact O-CB 3.36Å; H1009-K1013 PolarHBondContact O-N 2.85Å; H1009-Y1239 HydrophobicContact CB-CE1 4.04Å; H1009-Y1239 AromaticContact ND1-CZ 3.44Å; H1009-Y1239 PolarHBondContact ND1-OH 2.7Å; H1009-I1256 HydrophobicContact CB-CG2 4.27Å; H1009-I1256 PolarHBondContact CD2-O 3.48Å; H1009-I1256 VanDerWaalsContact CD2-O 3.27Å; H1009-R1257 WeakPolarHBondContact NE2-CA 3.41Å; H1009-R1257 PolarHBondContact NE2-O 3.08Å; H1009-T1259 PolarHBondContact CD2-OG1 3.28Å |
| 1010 | I | 96.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -66 | -30.9 | -179.6 | -76.7 | 174.2 | 0 | 0 | 0 | 112.3 | F812 V1006 M1007 E1014 W1015 L1261 I1264 R1280 | F812-I1010 HydrophobicContact CE2-CG2 3.96Å; F812-I1010 HydrophobicContact CZ-CG2 3.79Å; V1006-I1010 HydrophobicContact CG1-CD1 3.72Å; V1006-I1010 HydrophobicContact CG1-CG1 4.47Å; V1006-I1010 VanDerWaalsContact O-CB 3.3Å; V1006-I1010 WeakPolarHBondContact O-CB 3.43Å; V1006-I1010 WeakPolarHBondContact O-CG1 3.4Å; V1006-I1010 PolarHBondContact O-N 3.39Å; M1007-I1010 PolarHBondContact O-N 2.96Å; I1010-E1014 WeakPolarHBondContact O-CB 3.37Å; I1010-E1014 PolarHBondContact O-N 2.96Å; I1010-W1015 PolarHBondContact O-N 2.71Å; I1010-L1261 HydrophobicContact CD1-CB 4.47Å; I1010-L1261 HydrophobicContact CG2-CB 4.16Å; I1010-I1264 HydrophobicContact CD1-CD1 3.41Å; I1010-I1264 VanDerWaalsContact CD1-CD1 3.41Å; I1010-I1264 HydrophobicContact CD1-CG1 4.39Å; I1010-R1280 VanDerWaalsContact CG2-NH2 3.27Å; I1010-R1280 PolarHBondContact O-NH1 2.82Å |
| 1011 | T | 97.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.059 | C | C | . | . | I | π-helix | trans | -67.6 | -56.2 | 172.7 | -68.8 | 0 | 0 | 0 | 0 | 111 | L816 I898 M1007 Q1008 H1009 W1015 L1016 | L816-T1011 HydrophobicContact CD1-CG2 4.42Å; L816-T1011 HydrophobicContact CD2-CG2 3.56Å; I898-T1011 HydrophobicContact CD1-CG2 4.24Å; M1007-T1011 WeakPolarHBondContact O-CB 3.19Å; M1007-T1011 PolarHBondContact O-N 2.78Å; M1007-T1011 PolarHBondContact O-OG1 3.08Å; Q1008-T1011 PolarHBondContact O-N 3.45Å; H1009-T1011 VanDerWaalsContact C-N 3.3Å; H1009-T1011 PolarHBondContact O-N 3.46Å; T1011-W1015 HydrophobicContact CG2-CE3 4.5Å; T1011-W1015 WeakPolarHBondContact O-CB 3.45Å; T1011-W1015 PolarHBondContact O-N 3.29Å; T1011-W1015 VanDerWaalsContact O-N 3.1Å; T1011-L1016 WeakPolarHBondContact O-CB 3.43Å; T1011-L1016 PolarHBondContact O-N 3.48Å |
| 1012 | F | 97.2 | Very high | 96.4 | Very high | 2 Ų | 2 | 15.1 Ų | 15.1 | 1% | 0.009 | 8% | 0.077 | C | C | . | . | I | π-helix | trans | -77 | -30.7 | -172.4 | -80.9 | -115.6 | 0 | 0 | 0 | 114 | I898 Q1008 H1009 L1016 P1017 L1030 L1032 M1228 R1232 W1238 | I898-F1012 HydrophobicContact CD1-CE2 3.95Å; Q1008-F1012 PolarHBondContact O-N 2.93Å; Q1008-F1012 VanDerWaalsContact O-N 3.07Å; H1009-F1012 PolarHBondContact O-N 3.31Å; F1012-L1016 HydrophobicContact CD1-CD2 4.1Å; F1012-L1016 HydrophobicContact CE1-CD2 4.1Å; F1012-L1016 HydrophobicContact CG-CD2 4.36Å; F1012-L1016 HydrophobicContact CZ-CD2 4.35Å; F1012-P1017 VanDerWaalsContact O-CD 3.26Å; F1012-P1017 WeakPolarHBondContact O-CD 3.33Å; F1012-P1017 WeakPolarHBondContact O-CG 3.45Å; F1012-L1030 HydrophobicContact CE1-CD2 3.94Å; F1012-L1032 HydrophobicContact CB-CD1 3.91Å; F1012-L1032 HydrophobicContact CB-CD2 3.73Å; F1012-L1032 HydrophobicContact CB-CG 3.94Å; F1012-L1032 HydrophobicContact CD1-CD2 4.47Å; F1012-L1032 HydrophobicContact CG-CD2 4.4Å; F1012-M1228 HydrophobicContact CE2-SD 4.29Å; F1012-M1228 HydrophobicContact CZ-CB 4.39Å; F1012-M1228 WeakPolarHBondContact CZ-O 3.41Å; F1012-M1228 HydrophobicContact CZ-SD 4.32Å; F1012-R1232 HydrophobicContact CE1-CB 3.99Å; F1012-R1232 HydrophobicContact CZ-CB 4.14Å; F1012-W1238 HydrophobicContact CB-CH2 4.28Å; F1012-W1238 AromaticContact CD1-CH2 3.96Å; F1012-W1238 HydrophobicContact CD1-CH2 3.96Å; F1012-W1238 AromaticContact CD2-CH2 3.61Å; F1012-W1238 HydrophobicContact CD2-CH2 3.61Å; F1012-W1238 AromaticContact CD2-CZ3 3.99Å; F1012-W1238 HydrophobicContact CD2-CZ3 3.99Å; F1012-W1238 HydrophobicContact CE1-CH2 4.15Å; F1012-W1238 AromaticContact CE2-CH2 3.83Å; F1012-W1238 HydrophobicContact CE2-CH2 3.83Å; F1012-W1238 AromaticContact CE2-CZ3 3.79Å; F1012-W1238 HydrophobicContact CE2-CZ3 3.79Å; F1012-W1238 AromaticContact CG-CH2 3.69Å; F1012-W1238 HydrophobicContact CG-CH2 3.69Å; F1012-W1238 HydrophobicContact CG-CZ3 4.48Å; F1012-W1238 HydrophobicContact CZ-CH2 4.09Å; F1012-W1238 HydrophobicContact CZ-CZ3 4.08Å |
| 1013 | K | 95.5 | Very high | 96.2 | Very high | 77 Ų | 77 | 21.7 Ų | 21.7 | 34% | 0.335 | 10% | 0.104 | S | C | . | . | I | π-helix | trans | -77.3 | -41.4 | 178.5 | -179.2 | 173 | 162 | -169.9 | 0 | 113.1 | H1009 L1032 R1257 T1259 | H1009-K1013 VanDerWaalsContact CE1-CD 3.48Å; H1009-K1013 WeakPolarHBondContact CE1-CD 3.41Å; H1009-K1013 WeakPolarHBondContact NE2-CD 3.43Å; H1009-K1013 PolarHBondContact NE2-NZ 3.07Å; H1009-K1013 WeakPolarHBondContact O-CB 3.36Å; H1009-K1013 PolarHBondContact O-N 2.85Å; K1013-L1032 HydrophobicContact CB-CD1 3.78Å; K1013-R1257 PolarHBondContact NZ-O 2.58Å; K1013-T1259 PolarHBondContact NZ-O 3.41Å |
| 1014 | E | 93.6 | Very high | 96.1 | Very high | 22 Ų | 22 | 22.4 Ų | 22.4 | 10% | 0.103 | 11% | 0.108 | C | C | . | . | I | π-helix | trans | -118.5 | -38.6 | -165.1 | -74.5 | -178.8 | -149.6 | 0 | 0 | 114.4 | I1010 K1018 S1260 L1261 R1280 | I1010-E1014 WeakPolarHBondContact O-CB 3.37Å; I1010-E1014 PolarHBondContact O-N 2.96Å; E1014-K1018 VanDerWaalsContact O-CG 3.23Å; E1014-K1018 WeakPolarHBondContact O-CG 3.45Å; E1014-S1260 VanDerWaalsContact OE1-CA 3.22Å; E1014-S1260 WeakPolarHBondContact OE1-CA 3.21Å; E1014-S1260 WeakPolarHBondContact OE1-CB 3.49Å; E1014-L1261 PolarHBondContact OE1-N 2.9Å; E1014-R1280 IonicContact OE2-NH1 3.88Å; E1014-R1280 PolarHBondContact OE2-NH1 3.08Å; E1014-R1280 VanDerWaalsContact OE2-NH1 3.09Å |
| 1015 | W | 95.1 | Very high | 96.1 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.008 | 11% | 0.106 | C | C | . | . | I | π-helix | trans | -86.6 | -60.7 | -176 | -170.9 | 86.5 | 0 | 0 | 0 | 112.1 | L809 F812 L816 I1010 T1011 P1017 K1018 V1019 F1058 F1060 M1228 | L809-W1015 PolarHBondContact O-NE1 3.41Å; F812-W1015 HydrophobicContact CD1-CB 4.46Å; F812-W1015 AromaticContact CD1-CD1 3.78Å; F812-W1015 HydrophobicContact CD1-CG 4.11Å; L816-W1015 HydrophobicContact CD2-CD2 4.41Å; L816-W1015 HydrophobicContact CD2-CE3 4.04Å; L816-W1015 HydrophobicContact CD2-CZ3 4.11Å; I1010-W1015 PolarHBondContact O-N 2.71Å; T1011-W1015 HydrophobicContact CG2-CE3 4.5Å; T1011-W1015 WeakPolarHBondContact O-CB 3.45Å; T1011-W1015 PolarHBondContact O-N 3.29Å; T1011-W1015 VanDerWaalsContact O-N 3.1Å; W1015-P1017 VanDerWaalsContact C-CD 3.44Å; W1015-K1018 WeakPolarHBondContact O-CA 3.38Å; W1015-K1018 WeakPolarHBondContact O-CB 3.28Å; W1015-K1018 PolarHBondContact O-N 2.85Å; W1015-V1019 HydrophobicContact CD2-CG2 3.92Å; W1015-V1019 HydrophobicContact CE3-CG2 3.94Å; W1015-V1019 HydrophobicContact CH2-CG2 3.77Å; W1015-V1019 HydrophobicContact CZ2-CG2 3.75Å; W1015-V1019 HydrophobicContact CZ3-CB 4.43Å; W1015-V1019 HydrophobicContact CZ3-CG2 3.86Å; W1015-V1019 PolarHBondContact O-N 2.96Å; W1015-F1058 HydrophobicContact CH2-CE1 4.47Å; W1015-F1058 AromaticContact CH2-CE2 3.52Å; W1015-F1058 HydrophobicContact CH2-CE2 3.52Å; W1015-F1058 AromaticContact CH2-CZ 3.41Å; W1015-F1058 HydrophobicContact CH2-CZ 3.41Å; W1015-F1058 VanDerWaalsContact CH2-CZ 3.41Å; W1015-F1058 HydrophobicContact CZ2-CZ 4.25Å; W1015-F1058 AromaticContact CZ3-CE2 3.92Å; W1015-F1058 HydrophobicContact CZ3-CE2 3.92Å; W1015-F1058 AromaticContact CZ3-CZ 3.89Å; W1015-F1058 HydrophobicContact CZ3-CZ 3.89Å; W1015-F1060 HydrophobicContact CH2-CE1 4.13Å; W1015-F1060 AromaticContact CH2-CZ 3.87Å; W1015-F1060 HydrophobicContact CH2-CZ 3.87Å; W1015-F1060 AromaticContact CZ2-CZ 3.96Å; W1015-F1060 HydrophobicContact CZ2-CZ 3.96Å; W1015-M1228 HydrophobicContact CZ3-CE 4.45Å |
| 1016 | L | 96.6 | Very high | 96 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.8 | -38.9 | -173.1 | -164.9 | 63.3 | 0 | 0 | 0 | 113.9 | T1011 F1012 K1018 V1019 L1020 M1025 L1030 I1224 M1228 | T1011-L1016 WeakPolarHBondContact O-CB 3.43Å; T1011-L1016 PolarHBondContact O-N 3.48Å; F1012-L1016 HydrophobicContact CD1-CD2 4.1Å; F1012-L1016 HydrophobicContact CE1-CD2 4.1Å; F1012-L1016 HydrophobicContact CG-CD2 4.36Å; F1012-L1016 HydrophobicContact CZ-CD2 4.35Å; L1016-K1018 PolarHBondContact O-N 3.04Å; L1016-V1019 PolarHBondContact O-N 3.41Å; L1016-V1019 VanDerWaalsContact O-N 3.16Å; L1016-L1020 HydrophobicContact CD1-CD1 3.72Å; L1016-L1020 HydrophobicContact CD1-CG 3.86Å; L1016-L1020 HydrophobicContact CD2-CD1 4.31Å; L1016-L1020 HydrophobicContact CG-CD1 3.88Å; L1016-L1020 HydrophobicContact CG-CG 4.25Å; L1016-L1020 PolarHBondContact O-N 3.26Å; L1016-M1025 HydrophobicContact CB-SD 4.15Å; L1016-M1025 HydrophobicContact CD2-SD 4.02Å; L1016-M1025 HydrophobicContact CG-SD 3.77Å; L1016-L1030 HydrophobicContact CD2-CD1 4.03Å; L1016-I1224 HydrophobicContact CD1-CG2 4.16Å; L1016-M1228 HydrophobicContact CD1-CE 4.45Å; L1016-M1228 HydrophobicContact CD1-CG 3.8Å; L1016-M1228 HydrophobicContact CD1-SD 4.1Å; L1016-M1228 HydrophobicContact CD2-CB 3.83Å; L1016-M1228 HydrophobicContact CD2-CG 3.9Å; L1016-M1228 HydrophobicContact CD2-SD 4.04Å |
| 1017 | P | 95.4 | Very high | 96 | Very high | 13 Ų | 13 | 32.1 Ų | 32.1 | 8% | 0.084 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -76.8 | 12.3 | 175.2 | -1.4 | 17.9 | 0 | 0 | 0 | 113.5 | F1012 W1015 M1025 | F1012-P1017 VanDerWaalsContact O-CD 3.26Å; F1012-P1017 WeakPolarHBondContact O-CD 3.33Å; F1012-P1017 WeakPolarHBondContact O-CG 3.45Å; W1015-P1017 VanDerWaalsContact C-CD 3.44Å; P1017-M1025 HydrophobicContact CB-CE 4.25Å; P1017-M1025 HydrophobicContact CB-CG 3.93Å; P1017-M1025 HydrophobicContact CB-SD 4.1Å; P1017-M1025 HydrophobicContact CG-CE 3.76Å; P1017-M1025 HydrophobicContact CG-CG 4.46Å; P1017-M1025 HydrophobicContact CG-SD 4.04Å |
| 1018 | K | 93.4 | Very high | 95.9 | Very high | 37 Ų | 37 | 33.4 Ų | 33.4 | 16% | 0.161 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -109.5 | -30.5 | 166.8 | -51.7 | -61.2 | 146.4 | -64.1 | 0 | 111.2 | Y805 L809 E1014 W1015 L1016 L1215 | Y805-K1018 HydrophobicContact CE1-CB 4.26Å; Y805-K1018 HydrophobicContact CE1-CD 4.17Å; Y805-K1018 HydrophobicContact CE1-CG 4.47Å; Y805-K1018 HydrophobicContact CE2-CB 4.35Å; Y805-K1018 PolarHBondContact OH-O 3.02Å; L809-K1018 HydrophobicContact CD1-CB 3.99Å; E1014-K1018 VanDerWaalsContact O-CG 3.23Å; E1014-K1018 WeakPolarHBondContact O-CG 3.45Å; W1015-K1018 WeakPolarHBondContact O-CA 3.38Å; W1015-K1018 WeakPolarHBondContact O-CB 3.28Å; W1015-K1018 PolarHBondContact O-N 2.85Å; L1016-K1018 PolarHBondContact O-N 3.04Å; K1018-L1215 WeakPolarHBondContact O-CB 3.32Å; K1018-L1215 PolarHBondContact O-N 2.93Å |
| 1019 | V | 95.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -76.2 | -58.1 | 174.2 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | W1015 L1016 F1060 A1214 L1215 V1216 I1224 | W1015-V1019 HydrophobicContact CD2-CG2 3.92Å; W1015-V1019 HydrophobicContact CE3-CG2 3.94Å; W1015-V1019 HydrophobicContact CH2-CG2 3.77Å; W1015-V1019 HydrophobicContact CZ2-CG2 3.75Å; W1015-V1019 HydrophobicContact CZ3-CB 4.43Å; W1015-V1019 HydrophobicContact CZ3-CG2 3.86Å; W1015-V1019 PolarHBondContact O-N 2.96Å; L1016-V1019 PolarHBondContact O-N 3.41Å; L1016-V1019 VanDerWaalsContact O-N 3.16Å; V1019-F1060 HydrophobicContact CB-CZ 4.49Å; V1019-F1060 HydrophobicContact CG1-CE1 4.25Å; V1019-F1060 HydrophobicContact CG1-CE2 3.98Å; V1019-F1060 HydrophobicContact CG1-CZ 3.56Å; V1019-F1060 HydrophobicContact CG2-CE2 4.48Å; V1019-F1060 HydrophobicContact CG2-CZ 4.05Å; V1019-A1214 WeakPolarHBondContact O-CB 3.06Å; V1019-L1215 PolarHBondContact O-N 2.64Å; V1019-V1216 HydrophobicContact CG1-CG1 3.87Å; V1019-V1216 HydrophobicContact CG1-CG2 4.45Å; V1019-V1216 PolarHBondContact O-N 3.48Å; V1019-I1224 HydrophobicContact CG1-CD1 4.45Å |
| 1020 | L | 96.7 | Very high | 95.8 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -26.7 | -175.7 | -68.5 | -173.4 | 0 | 0 | 0 | 114.3 | L1016 L1024 M1025 L1030 A1214 V1216 G1221 I1224 | L1016-L1020 HydrophobicContact CD1-CD1 3.72Å; L1016-L1020 HydrophobicContact CD1-CG 3.86Å; L1016-L1020 HydrophobicContact CD2-CD1 4.31Å; L1016-L1020 HydrophobicContact CG-CD1 3.88Å; L1016-L1020 HydrophobicContact CG-CG 4.25Å; L1016-L1020 PolarHBondContact O-N 3.26Å; L1020-L1024 HydrophobicContact CB-CB 3.99Å; L1020-L1024 HydrophobicContact CD2-CD1 4.13Å; L1020-L1024 WeakPolarHBondContact O-CB 3.19Å; L1020-M1025 HydrophobicContact CB-CG 4.45Å; L1020-M1025 HydrophobicContact CD1-SD 4.47Å; L1020-L1030 HydrophobicContact CD1-CD1 3.58Å; L1020-A1214 VanDerWaalsContact O-CB 3.31Å; L1020-A1214 WeakPolarHBondContact O-CB 3.48Å; L1020-V1216 HydrophobicContact CD2-CG2 4.35Å; L1020-G1221 WeakPolarHBondContact CD2-O 3.34Å; L1020-I1224 HydrophobicContact CD1-CG2 4.44Å; L1020-I1224 HydrophobicContact CD2-CB 4.01Å; L1020-I1224 HydrophobicContact CD2-CG2 3.87Å; L1020-I1224 HydrophobicContact CG-CG2 4.29Å |
| 1021 | G | 94.9 | Very high | 95.7 | Very high | 2 Ų | 2 | 39 Ų | 39 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | 67.4 | 163.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | K1023 L1024 M1025 G1213 | G1021-K1023 PolarHBondContact O-N 2.71Å; G1021-L1024 PolarHBondContact O-N 3.4Å; G1021-M1025 WeakPolarHBondContact O-CG 3.09Å; G1021-M1025 PolarHBondContact O-N 2.8Å; G1021-M1025 VanDerWaalsContact O-N 3.08Å; G1021-G1213 WeakPolarHBondContact CA-O 3.3Å |
| 1022 | N | 94 | Very high | 95.6 | Very high | 104 Ų | 104 | 40.8 Ų | 40.8 | 56% | 0.556 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -57.5 | -46.1 | -170.3 | -66.8 | 11.8 | 0 | 0 | 0 | 112.8 | L1024 M1025 D1026 | N1022-L1024 PolarHBondContact O-N 3.11Å; N1022-L1024 VanDerWaalsContact O-N 3.11Å; N1022-M1025 WeakPolarHBondContact O-CA 3.17Å; N1022-M1025 WeakPolarHBondContact O-CB 3.3Å; N1022-M1025 PolarHBondContact O-N 2.65Å; N1022-D1026 PolarHBondContact O-N 3.23Å |
| 1023 | K | 94.9 | Very high | 95.4 | Very high | 176 Ų | 176 | 44.1 Ų | 44.1 | 77% | 0.765 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -54 | -37.6 | -177.3 | -173.5 | 178.9 | -179.9 | -179.4 | 0 | 113.5 | G1021 K1027 | G1021-K1023 PolarHBondContact O-N 2.71Å; K1023-K1027 WeakPolarHBondContact O-CB 3.45Å; K1023-K1027 PolarHBondContact O-N 3.03Å; K1023-K1027 VanDerWaalsContact O-N 3.15Å |
| 1024 | L | 96 | Very high | 95.1 | Very high | 15 Ų | 15 | 45.6 Ų | 45.6 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -84.8 | -36.1 | 176.5 | -65.7 | -174.6 | 0 | 0 | 0 | 112.3 | L1020 G1021 N1022 D1026 K1027 Y1028 L1211 | L1020-L1024 HydrophobicContact CB-CB 3.99Å; L1020-L1024 HydrophobicContact CD2-CD1 4.13Å; L1020-L1024 WeakPolarHBondContact O-CB 3.19Å; G1021-L1024 PolarHBondContact O-N 3.4Å; N1022-L1024 PolarHBondContact O-N 3.11Å; N1022-L1024 VanDerWaalsContact O-N 3.11Å; L1024-D1026 PolarHBondContact O-N 2.78Å; L1024-K1027 HydrophobicContact CD2-CD 4.06Å; L1024-K1027 PolarHBondContact O-N 3.42Å; L1024-Y1028 HydrophobicContact CB-CD2 4.47Å; L1024-Y1028 HydrophobicContact CD2-CE2 4.3Å; L1024-Y1028 WeakPolarHBondContact O-CD2 3.39Å; L1024-Y1028 PolarHBondContact O-N 2.9Å; L1024-L1211 HydrophobicContact CD1-CD1 3.85Å; L1024-L1211 HydrophobicContact CD2-CD1 4.44Å; L1024-L1211 HydrophobicContact CG-CD1 4.19Å |
| 1025 | M | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -54.4 | -40.9 | 170.6 | -68.7 | -72.2 | -56.1 | 0 | 0 | 111.7 | L1016 P1017 L1020 G1021 N1022 G1029 L1030 | L1016-M1025 HydrophobicContact CB-SD 4.15Å; L1016-M1025 HydrophobicContact CD2-SD 4.02Å; L1016-M1025 HydrophobicContact CG-SD 3.77Å; P1017-M1025 HydrophobicContact CB-CE 4.25Å; P1017-M1025 HydrophobicContact CB-CG 3.93Å; P1017-M1025 HydrophobicContact CB-SD 4.1Å; P1017-M1025 HydrophobicContact CG-CE 3.76Å; P1017-M1025 HydrophobicContact CG-CG 4.46Å; P1017-M1025 HydrophobicContact CG-SD 4.04Å; L1020-M1025 HydrophobicContact CB-CG 4.45Å; L1020-M1025 HydrophobicContact CD1-SD 4.47Å; G1021-M1025 WeakPolarHBondContact O-CG 3.09Å; G1021-M1025 PolarHBondContact O-N 2.8Å; G1021-M1025 VanDerWaalsContact O-N 3.08Å; N1022-M1025 WeakPolarHBondContact O-CA 3.17Å; N1022-M1025 WeakPolarHBondContact O-CB 3.3Å; N1022-M1025 PolarHBondContact O-N 2.65Å; M1025-G1029 PolarHBondContact O-N 2.9Å; M1025-L1030 HydrophobicContact CE-CB 3.52Å; M1025-L1030 WeakPolarHBondContact CE-O 3.08Å; M1025-L1030 PolarHBondContact O-N 2.94Å; M1025-L1030 HydrophobicContact SD-CB 3.87Å; M1025-L1030 HydrophobicContact SD-CD1 4.18Å |
| 1026 | D | 96.6 | Very high | 94.9 | Very high | 93 Ų | 93 | 52.3 Ų | 52.3 | 50% | 0.497 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -73.1 | -48.7 | 178.2 | -56.7 | -30.8 | 0 | 0 | 0 | 110.8 | N1022 L1024 Y1028 G1029 Q1031 | N1022-D1026 PolarHBondContact O-N 3.23Å; L1024-D1026 PolarHBondContact O-N 2.78Å; D1026-Y1028 VanDerWaalsContact C-N 3.26Å; D1026-Y1028 PolarHBondContact O-N 2.94Å; D1026-G1029 PolarHBondContact O-N 3.31Å; D1026-G1029 VanDerWaalsContact O-N 3.11Å; D1026-Q1031 WeakPolarHBondContact OD1-CG 3.35Å; D1026-Q1031 PolarHBondContact OD1-NE2 2.8Å |
| 1027 | K | 96 | Very high | 94.9 | Very high | 124 Ų | 124 | 55.1 Ų | 55.1 | 54% | 0.539 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -51.7 | -41.5 | 176.5 | -178.5 | -170.1 | 173.7 | -162.1 | 0 | 113 | K1023 L1024 | K1023-K1027 WeakPolarHBondContact O-CB 3.45Å; K1023-K1027 PolarHBondContact O-N 3.03Å; K1023-K1027 VanDerWaalsContact O-N 3.15Å; L1024-K1027 HydrophobicContact CD2-CD 4.06Å; L1024-K1027 PolarHBondContact O-N 3.42Å |
| 1028 | Y | 96.5 | Very high | 94.9 | Very high | 27 Ų | 27 | 55.6 Ų | 55.6 | 11% | 0.106 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -1.2 | -176.2 | -71.7 | -80.2 | 0 | 0 | 0 | 113.9 | L1024 D1026 C1222 G1225 E1226 K1229 | L1024-Y1028 HydrophobicContact CB-CD2 4.47Å; L1024-Y1028 HydrophobicContact CD2-CE2 4.3Å; L1024-Y1028 WeakPolarHBondContact O-CD2 3.39Å; L1024-Y1028 PolarHBondContact O-N 2.9Å; D1026-Y1028 VanDerWaalsContact C-N 3.26Å; D1026-Y1028 PolarHBondContact O-N 2.94Å; Y1028-C1222 WeakPolarHBondContact OH-CA 3.29Å; Y1028-C1222 PolarHBondContact OH-O 3.44Å; Y1028-G1225 VanDerWaalsContact CD1-C 3.47Å; Y1028-G1225 WeakPolarHBondContact CD1-O 3.4Å; Y1028-E1226 HydrophobicContact CE1-CB 4.17Å; Y1028-K1229 HydrophobicContact CD1-CD 4.44Å; Y1028-K1229 WeakPolarHBondContact O-CD 3.34Å; Y1028-K1229 WeakPolarHBondContact O-CG 2.96Å |
| 1029 | G | 95.5 | Very high | 94.8 | Very high | 40 Ų | 40 | 59 Ų | 59 | 41% | 0.412 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 32.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | M1025 D1026 R1232 | M1025-G1029 PolarHBondContact O-N 2.9Å; D1026-G1029 PolarHBondContact O-N 3.31Å; D1026-G1029 VanDerWaalsContact O-N 3.11Å; G1029-R1232 PolarHBondContact O-NH1 3.44Å |
| 1030 | L | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | trans | -90.9 | -5.1 | -170 | -57.7 | 171.9 | 0 | 0 | 0 | 113.6 | F1012 L1016 L1020 M1025 M1228 K1229 | F1012-L1030 HydrophobicContact CE1-CD2 3.94Å; L1016-L1030 HydrophobicContact CD2-CD1 4.03Å; L1020-L1030 HydrophobicContact CD1-CD1 3.58Å; M1025-L1030 HydrophobicContact CE-CB 3.52Å; M1025-L1030 WeakPolarHBondContact CE-O 3.08Å; M1025-L1030 PolarHBondContact O-N 2.94Å; M1025-L1030 HydrophobicContact SD-CB 3.87Å; M1025-L1030 HydrophobicContact SD-CD1 4.18Å; L1030-M1228 HydrophobicContact CD1-CB 4.39Å; L1030-M1228 HydrophobicContact CD2-CB 4.21Å; L1030-K1229 HydrophobicContact CD2-CB 4.07Å | ||
| 1031 | Q | 95 | Very high | 94.5 | Very high | 82 Ų | 82 | 62.5 Ų | 62.5 | 38% | 0.383 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 134.6 | 177.6 | -58.2 | -67.9 | 7.6 | 0 | 0 | 111.2 | D1026 R1232 | D1026-Q1031 WeakPolarHBondContact OD1-CG 3.35Å; D1026-Q1031 PolarHBondContact OD1-NE2 2.8Å; Q1031-R1232 PolarHBondContact O-NH1 3.42Å; Q1031-R1232 PolarHBondContact O-NH2 2.95Å |
| 1032 | L | 95.2 | Very high | 94.5 | Very high | 38 Ų | 38 | 65.8 Ų | 65.8 | 20% | 0.199 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 150.7 | 179.6 | -62.2 | 177.8 | 0 | 0 | 0 | 111.7 | F1012 K1013 W1238 Y1239 | F1012-L1032 HydrophobicContact CB-CD1 3.91Å; F1012-L1032 HydrophobicContact CB-CD2 3.73Å; F1012-L1032 HydrophobicContact CB-CG 3.94Å; F1012-L1032 HydrophobicContact CD1-CD2 4.47Å; F1012-L1032 HydrophobicContact CG-CD2 4.4Å; K1013-L1032 HydrophobicContact CB-CD1 3.78Å; L1032-W1238 HydrophobicContact CD2-CH2 4.23Å; L1032-W1238 HydrophobicContact CD2-CZ2 3.64Å; L1032-Y1239 HydrophobicContact CD2-CE1 4.4Å |
| 1033 | K | 92.5 | Very high | 94.4 | Very high | 72 Ų | 72 | 65.3 Ų | 65.3 | 31% | 0.313 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 138.8 | 173.4 | -65.5 | -170.6 | -177 | -177.2 | 0 | 109.5 | N1035 Y1037 D1039 E1240 R1257 | K1033-N1035 WeakPolarHBondContact CB-O 3.38Å; K1033-Y1037 VanDerWaalsContact CD-O 3.23Å; K1033-Y1037 WeakPolarHBondContact CD-O 3.41Å; K1033-Y1037 WeakPolarHBondContact CE-O 3.44Å; K1033-Y1037 PolarHBondContact NZ-O 3.42Å; K1033-D1039 IonicContact NZ-OD1 2.8Å; K1033-D1039 PolarHBondContact NZ-OD1 3.34Å; K1033-D1039 IonicContact NZ-OD2 3.24Å; K1033-E1240 PolarHBondContact N-OE1 2.98Å; K1033-R1257 VanDerWaalsContact O-CZ 3.28Å; K1033-R1257 PolarHBondContact O-NE 3.17Å; K1033-R1257 PolarHBondContact O-NH2 3.49Å; K1033-R1257 VanDerWaalsContact O-NH2 3.16Å |
| 1034 | S | 89.6 | Confident | 94.4 | Very high | 108 Ų | 108 | 62.7 Ų | 62.7 | 76% | 0.755 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -77 | -31.8 | 177.2 | 52.5 | 0 | 0 | 0 | 0 | 112.5 | R1257 | S1034-R1257 WeakPolarHBondContact O-CD 3.48Š|
| 1035 | N | 91.5 | Very high | 94.3 | Very high | 121 Ų | 121 | 62.8 Ų | 62.8 | 65% | 0.647 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -139.6 | 174.4 | 177 | 62.7 | 7 | 0 | 0 | 0 | 110.7 | K1033 | K1033-N1035 WeakPolarHBondContact CB-O 3.38Š|
| 1036 | G | 93.2 | Very high | 94.1 | Very high | 44 Ų | 44 | 64.6 Ų | 64.6 | 45% | 0.454 | 36% | 0.355 | S | S | . | . | S | Bend | trans | 62.2 | -161.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | R1257 | G1036-R1257 PolarHBondContact O-NH1 3.05Å; G1036-R1257 PolarHBondContact O-NH2 3.05Å |
| 1037 | Y | 96.1 | Very high | 94.1 | Very high | 60 Ų | 60 | 60.2 Ų | 60.2 | 24% | 0.235 | 33% | 0.331 | C | S | . | . | trans | -109.9 | 154.9 | -178.9 | -62.3 | -82.6 | 0 | 0 | 0 | 112.2 | K1033 E1240 N1241 N1242 R1247 F1248 P1250 L1253 | K1033-Y1037 VanDerWaalsContact CD-O 3.23Å; K1033-Y1037 WeakPolarHBondContact CD-O 3.41Å; K1033-Y1037 WeakPolarHBondContact CE-O 3.44Å; K1033-Y1037 PolarHBondContact NZ-O 3.42Å; Y1037-E1240 CarbonylContact C-O 3.47Å; Y1037-E1240 VanDerWaalsContact CA-O 3.32Å; Y1037-E1240 WeakPolarHBondContact CA-O 3.49Å; Y1037-E1240 WeakPolarHBondContact CB-O 3.13Å; Y1037-N1241 WeakPolarHBondContact CD1-O 3.29Å; Y1037-N1242 HydrophobicContact CD1-CB 4.48Å; Y1037-N1242 HydrophobicContact CG-CB 4.03Å; Y1037-R1247 HydrophobicContact CE1-CB 4.12Å; Y1037-F1248 WeakPolarHBondContact CE1-O 3.37Å; Y1037-F1248 PolarHBondContact OH-O 3Å; Y1037-P1250 HydrophobicContact CE2-CG 4.43Å; Y1037-P1250 WeakPolarHBondContact OH-CD 3.43Å; Y1037-L1253 HydrophobicContact CD1-CD1 3.61Å; Y1037-L1253 HydrophobicContact CE1-CD1 3.57Å; Y1037-L1253 HydrophobicContact CG-CD1 4.46Å | ||
| 1038 | Y | 94.8 | Very high | 94.1 | Very high | 23 Ų | 23 | 54.8 Ų | 54.8 | 9% | 0.09 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -83.7 | 149.1 | 162.9 | -172.2 | -106.5 | 0 | 0 | 0 | 110.6 | G1040 R1232 N1233 E1240 N1241 N1242 | Y1038-G1040 VanDerWaalsContact CE1-C 3.49Å; Y1038-R1232 HydrophobicContact CE1-CG 4.3Å; Y1038-N1233 PolarHBondContact OH-ND2 2.97Å; Y1038-N1233 PolarHBondContact OH-OD1 2.83Å; Y1038-E1240 VanDerWaalsContact CB-CB 3.45Å; Y1038-E1240 PolarHBondContact N-O 3.39Å; Y1038-N1241 WeakPolarHBondContact O-CA 3.3Å; Y1038-N1242 PolarHBondContact O-N 3.11Å |
| 1039 | D | 91.8 | Very high | 94.2 | Very high | 109 Ų | 109 | 53.5 Ų | 53.5 | 58% | 0.583 | 30% | 0.303 | S | S | * | . | trans | -139.9 | 3.5 | -163 | 46.9 | -18.6 | 0 | 0 | 0 | 112.2 | K1033 | K1033-D1039 IonicContact NZ-OD1 2.8Å; K1033-D1039 PolarHBondContact NZ-OD1 3.34Å; K1033-D1039 IonicContact NZ-OD2 3.24Å | ||
| 1040 | G | 92.2 | Very high | 94.3 | Very high | 26 Ų | 26 | 51.7 Ų | 51.7 | 27% | 0.268 | 28% | 0.284 | S | S | . | . | trans | -97.9 | 29.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y1038 N1233 | Y1038-G1040 VanDerWaalsContact CE1-C 3.49Å; G1040-N1233 PolarHBondContact O-ND2 3.21Å | ||
| 1041 | Y | 94.9 | Very high | 94.4 | Very high | 48 Ų | 48 | 51.7 Ų | 51.7 | 19% | 0.188 | 28% | 0.284 | C | S | . | . | trans | -73.2 | 122.6 | 172.8 | 167.7 | -110.1 | 0 | 0 | 0 | 110.7 | Q1043 N1233 R1236 I1243 | Y1041-Q1043 HydrophobicContact CE1-CB 4.11Å; Y1041-N1233 CarbonylContact C-O 3.58Å; Y1041-N1233 VanDerWaalsContact CA-O 3.3Å; Y1041-N1233 WeakPolarHBondContact CA-O 3.27Å; Y1041-N1233 WeakPolarHBondContact CD2-O 3.2Å; Y1041-R1236 HydrophobicContact CE1-CB 4.35Å; Y1041-R1236 HydrophobicContact CE1-CG 4.33Å; Y1041-R1236 VanDerWaalsContact CE2-CA 3.49Å; Y1041-R1236 HydrophobicContact CE2-CB 3.87Å; Y1041-R1236 VanDerWaalsContact CE2-N 3.32Å; Y1041-I1243 HydrophobicContact CD1-CD1 3.71Å; Y1041-I1243 HydrophobicContact CE1-CD1 4.24Å; Y1041-I1243 HydrophobicContact CG-CD1 4.16Å | ||
| 1042 | D | 94.9 | Very high | 94.5 | Very high | 72 Ų | 72 | 47.8 Ų | 47.8 | 39% | 0.385 | 27% | 0.266 | S | S | . | . | trans | -108 | 104.3 | 179.9 | -178.7 | 8.5 | 0 | 0 | 0 | 111.7 | L1044 C1045 N1233 | D1042-L1044 PolarHBondContact O-N 3.22Å; D1042-L1044 WeakPolarHBondContact OD1-CB 3.4Å; D1042-L1044 PolarHBondContact OD1-N 3.07Å; D1042-C1045 HydrophobicContact CB-CB 3.89Å; D1042-C1045 WeakPolarHBondContact O-CB 3.36Å; D1042-C1045 PolarHBondContact O-N 3.2Å; D1042-C1045 VanDerWaalsContact O-N 3.13Å; D1042-C1045 WeakPolarHBondContact OD2-CB 3.4Å; D1042-N1233 PolarHBondContact N-O 3.3Å | ||
| 1043 | Q | 91.5 | Very high | 94.6 | Very high | 93 Ų | 93 | 46 Ų | 46 | 44% | 0.435 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15.1 | 174.7 | 56.8 | 166.9 | -31.3 | 0 | 0 | 115.1 | N746 Y1041 | N746-Q1043 PolarHBondContact ND2-O 3.33Å; N746-Q1043 PolarHBondContact OD1-O 2.89Å; Y1041-Q1043 HydrophobicContact CE1-CB 4.11Å |
| 1044 | L | 94.1 | Very high | 94.9 | Very high | 122 Ų | 122 | 42.5 Ų | 42.5 | 64% | 0.639 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -13.3 | 175 | -61.5 | -179 | 0 | 0 | 0 | 112.3 | K748 D1042 | K748-L1044 HydrophobicContact CD-CD2 3.89Å; D1042-L1044 PolarHBondContact O-N 3.22Å; D1042-L1044 WeakPolarHBondContact OD1-CB 3.4Å; D1042-L1044 PolarHBondContact OD1-N 3.07Å |
| 1045 | C | 93.8 | Very high | 95.2 | Very high | 16 Ų | 16 | 37.4 Ų | 37.4 | 11% | 0.108 | 21% | 0.206 | C | C | . | . | trans | -78 | 142.3 | -178.4 | 178.5 | 0 | 0 | 0 | 0 | 112.9 | N746 D1042 C1234 | N746-C1045 PolarHBondContact ND2-O 3.11Å; N746-C1045 VanDerWaalsContact ND2-O 3.11Å; D1042-C1045 HydrophobicContact CB-CB 3.89Å; D1042-C1045 WeakPolarHBondContact O-CB 3.36Å; D1042-C1045 PolarHBondContact O-N 3.2Å; D1042-C1045 VanDerWaalsContact O-N 3.13Å; D1042-C1045 WeakPolarHBondContact OD2-CB 3.4Å; C1045-C1234 HydrophobicContact CB-CB 3.56Å; C1045-C1234 WeakPolarHBondContact CB-SG 3.37Å; C1045-C1234 WeakPolarHBondContact SG-CB 3.17Å; C1045-C1234 CovalentContact SG-SG 2.01Å; C1045-C1234 PolarHBondContact SG-SG 2.73Å | ||
| 1046 | D | 94.6 | Very high | 95.5 | Very high | 39 Ų | 39 | 31.7 Ų | 31.7 | 21% | 0.209 | 18% | 0.175 | C | C | . | . | trans | -88.6 | 127.4 | 164 | 173.8 | 37.1 | 0 | 0 | 0 | 111.9 | R760 T1048 K1230 | R760-D1046 WeakPolarHBondContact CD-OD2 3.44Å; D1046-T1048 VanDerWaalsContact OD1-CB 3.25Å; D1046-T1048 WeakPolarHBondContact OD1-CB 3.34Å; D1046-T1048 PolarHBondContact OD1-N 3.12Å; D1046-T1048 PolarHBondContact OD1-OG1 2.97Å; D1046-T1048 WeakPolarHBondContact OD2-CB 3.22Å; D1046-K1230 PolarHBondContact O-NZ 3.15Å | ||
| 1047 | A | 95.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | trans | -91.2 | -11.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y897 Q1227 C1234 | Y897-A1047 HydrophobicContact CD1-CB 4.32Å; Y897-A1047 HydrophobicContact CE1-CB 3.49Å; Y897-A1047 VanDerWaalsContact CE1-CB 3.49Å; A1047-Q1227 PolarHBondContact O-NE2 3.37Å; A1047-C1234 HydrophobicContact CB-CB 3.82Å | ||
| 1048 | T | 96.9 | Very high | 95.7 | Very high | 10 Ų | 10 | 27.3 Ų | 27.3 | 6% | 0.061 | 15% | 0.145 | C | C | . | . | P | Polyproline II helix | trans | -51.4 | 143.6 | -170.4 | -53.6 | 0 | 0 | 0 | 0 | 112.3 | G753 P758 R760 D1046 A1050 Q1227 | G753-T1048 PolarHBondContact N-OG1 2.72Å; P758-T1048 WeakPolarHBondContact O-CG2 3.43Å; R760-T1048 VanDerWaalsContact CD-O 3.29Å; R760-T1048 WeakPolarHBondContact CD-O 3.41Å; R760-T1048 PolarHBondContact NE-O 3.42Å; D1046-T1048 VanDerWaalsContact OD1-CB 3.25Å; D1046-T1048 WeakPolarHBondContact OD1-CB 3.34Å; D1046-T1048 PolarHBondContact OD1-N 3.12Å; D1046-T1048 PolarHBondContact OD1-OG1 2.97Å; D1046-T1048 WeakPolarHBondContact OD2-CB 3.22Å; T1048-A1050 PolarHBondContact O-N 3.3Å; T1048-Q1227 PolarHBondContact O-NE2 2.8Å; T1048-Q1227 PolarHBondContact O-OE1 3.41Å |
| 1049 | I | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -64 | 134 | 177.1 | -61.3 | -53 | 0 | 0 | 0 | 110.7 | F759 R760 M820 T821 S896 F1053 A1054 Q1227 L1231 | F759-I1049 WeakPolarHBondContact CA-O 3.44Å; F759-I1049 WeakPolarHBondContact CB-O 3.43Å; F759-I1049 HydrophobicContact CD1-CB 3.97Å; F759-I1049 HydrophobicContact CD1-CG2 3.89Å; F759-I1049 HydrophobicContact CE1-CB 4.21Å; F759-I1049 HydrophobicContact CE1-CG2 3.98Å; R760-I1049 PolarHBondContact N-O 2.79Å; M820-I1049 HydrophobicContact CB-CD1 4.13Å; M820-I1049 HydrophobicContact CB-CG1 4.34Å; M820-I1049 WeakPolarHBondContact O-CG1 3.4Å; T821-I1049 HydrophobicContact CG2-CG1 4.46Å; T821-I1049 HydrophobicContact CG2-CG2 4.06Å; S896-I1049 PolarHBondContact OG-N 3.36Å; I1049-F1053 HydrophobicContact CG2-CB 4.34Å; I1049-F1053 HydrophobicContact CG2-CD1 3.77Å; I1049-F1053 HydrophobicContact CG2-CG 4.46Å; I1049-A1054 HydrophobicContact CG2-CB 4.06Å; I1049-Q1227 HydrophobicContact CD1-CG 4.1Å; I1049-L1231 HydrophobicContact CD1-CD1 4.31Å; I1049-L1231 HydrophobicContact CD1-CD2 4.06Å |
| 1050 | A | 98 | Very high | 96 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.008 | 12% | 0.123 | C | C | . | . | B | Isolated β-bridge | trans | -72 | 137.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | R760 L762 T1048 E1052 F1053 A1054 | R760-A1050 HydrophobicContact CG-CB 4.23Å; R760-A1050 CarbonylContact O-C 3.52Å; R760-A1050 WeakPolarHBondContact O-CA 3.47Å; L762-A1050 HydrophobicContact CD1-CB 4.47Å; L762-A1050 HydrophobicContact CD2-CB 4.28Å; L762-A1050 HydrophobicContact CG-CB 4.03Å; T1048-A1050 PolarHBondContact O-N 3.3Å; A1050-E1052 PolarHBondContact O-N 3.49Å; A1050-F1053 HydrophobicContact CB-CB 4.11Å; A1050-F1053 WeakPolarHBondContact O-CA 3.35Å; A1050-F1053 WeakPolarHBondContact O-CB 3.3Å; A1050-F1053 PolarHBondContact O-N 2.88Å; A1050-A1054 PolarHBondContact O-N 2.87Å |
| 1051 | N | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.8 | -38.2 | 178.5 | -161 | -25.8 | 0 | 0 | 0 | 110.7 | F759 R760 R761 Q890 F1053 T1055 H1154 I1156 | F759-N1051 HydrophobicContact CB-CB 3.71Å; F759-N1051 HydrophobicContact CG-CB 4.28Å; R760-N1051 PolarHBondContact O-N 3.35Å; R761-N1051 HydrophobicContact CG-CB 4.27Å; R761-N1051 PolarHBondContact NH2-ND2 3.07Å; Q890-N1051 PolarHBondContact OE1-ND2 3.29Å; N1051-F1053 VanDerWaalsContact C-N 3.33Å; N1051-F1053 PolarHBondContact O-N 2.86Å; N1051-T1055 WeakPolarHBondContact O-CB 3.25Å; N1051-T1055 PolarHBondContact O-N 3.33Å; N1051-T1055 PolarHBondContact O-OG1 3.27Å; N1051-T1055 PolarHBondContact OD1-OG1 2.98Å; N1051-H1154 PolarHBondContact OD1-ND1 2.89Å; N1051-I1156 HydrophobicContact CB-CD1 4.24Å |
| 1052 | E | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.8 | -36.8 | 172 | -65 | 91.2 | 156.5 | 0 | 0 | 114.3 | R761 L762 L763 A1050 A1056 A1057 I1156 Y1162 L1201 | R761-E1052 WeakPolarHBondContact CA-OE2 3.23Å; L762-E1052 WeakPolarHBondContact CA-OE1 3.47Å; L762-E1052 HydrophobicContact CB-CG 4.48Å; L762-E1052 WeakPolarHBondContact CB-OE1 3.27Å; L762-E1052 HydrophobicContact CD1-CB 4.11Å; L762-E1052 HydrophobicContact CD1-CG 4.3Å; L762-E1052 HydrophobicContact CG-CG 4.5Å; L762-E1052 VanDerWaalsContact N-CD 3.3Å; L762-E1052 PolarHBondContact N-OE1 3.15Å; L762-E1052 PolarHBondContact N-OE2 3.45Å; L763-E1052 PolarHBondContact N-OE1 2.87Å; A1050-E1052 PolarHBondContact O-N 3.49Å; E1052-A1056 PolarHBondContact O-N 3.14Å; E1052-A1056 VanDerWaalsContact O-N 3.11Å; E1052-A1057 PolarHBondContact O-N 2.88Å; E1052-I1156 HydrophobicContact CG-CD1 4.35Å; E1052-I1156 HydrophobicContact CG-CG2 4.5Å; E1052-Y1162 VanDerWaalsContact CD-OH 3.31Å; E1052-Y1162 HydrophobicContact CG-CE1 3.56Å; E1052-Y1162 HydrophobicContact CG-CE2 4.46Å; E1052-Y1162 VanDerWaalsContact CG-CZ 3.46Å; E1052-Y1162 WeakPolarHBondContact CG-OH 3.49Å; E1052-Y1162 PolarHBondContact OE1-OH 3.07Å; E1052-L1201 HydrophobicContact CB-CD2 4.41Å; E1052-L1201 HydrophobicContact CG-CD2 4.43Å |
| 1053 | F | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | I | π-helix | trans | -69.5 | -51.3 | -178.9 | 177.2 | -84.5 | 0 | 0 | 0 | 110.3 | M820 T821 I1049 A1050 N1051 A1057 F1058 I1223 I1224 Q1227 M1228 | M820-F1053 HydrophobicContact CE-CE1 3.97Å; M820-F1053 HydrophobicContact CE-CZ 4.01Å; T821-F1053 HydrophobicContact CG2-CD1 4.21Å; T821-F1053 HydrophobicContact CG2-CE1 4.09Å; I1049-F1053 HydrophobicContact CG2-CB 4.34Å; I1049-F1053 HydrophobicContact CG2-CD1 3.77Å; I1049-F1053 HydrophobicContact CG2-CG 4.46Å; A1050-F1053 HydrophobicContact CB-CB 4.11Å; A1050-F1053 WeakPolarHBondContact O-CA 3.35Å; A1050-F1053 WeakPolarHBondContact O-CB 3.3Å; A1050-F1053 PolarHBondContact O-N 2.88Å; N1051-F1053 VanDerWaalsContact C-N 3.33Å; N1051-F1053 PolarHBondContact O-N 2.86Å; F1053-A1057 PolarHBondContact O-N 3.2Å; F1053-F1058 HydrophobicContact CD1-CB 4.08Å; F1053-F1058 HydrophobicContact CD1-CG 4.46Å; F1053-F1058 HydrophobicContact CD2-CD2 4.45Å; F1053-F1058 HydrophobicContact CE1-CB 3.8Å; F1053-F1058 HydrophobicContact CE1-CD1 4.18Å; F1053-F1058 AromaticContact CE1-CD2 3.88Å; F1053-F1058 HydrophobicContact CE1-CD2 3.88Å; F1053-F1058 HydrophobicContact CE1-CE2 4.48Å; F1053-F1058 AromaticContact CE1-CG 3.7Å; F1053-F1058 HydrophobicContact CE1-CG 3.7Å; F1053-F1058 HydrophobicContact CE2-CB 4.35Å; F1053-F1058 AromaticContact CE2-CD2 3.52Å; F1053-F1058 HydrophobicContact CE2-CD2 3.52Å; F1053-F1058 HydrophobicContact CE2-CE2 4.07Å; F1053-F1058 HydrophobicContact CE2-CG 4.14Å; F1053-F1058 HydrophobicContact CG-CB 4.47Å; F1053-F1058 HydrophobicContact CZ-CB 3.95Å; F1053-F1058 HydrophobicContact CZ-CD1 4.18Å; F1053-F1058 AromaticContact CZ-CD2 3.17Å; F1053-F1058 HydrophobicContact CZ-CD2 3.17Å; F1053-F1058 AromaticContact CZ-CE2 3.58Å; F1053-F1058 HydrophobicContact CZ-CE2 3.58Å; F1053-F1058 AromaticContact CZ-CG 3.52Å; F1053-F1058 HydrophobicContact CZ-CG 3.52Å; F1053-F1058 HydrophobicContact CZ-CZ 4.24Å; F1053-F1058 WeakPolarHBondContact O-CB 3.2Å; F1053-F1058 PolarHBondContact O-N 2.79Å; F1053-I1223 HydrophobicContact CB-CG2 4.42Å; F1053-I1224 HydrophobicContact CD2-CG1 4.46Å; F1053-I1224 HydrophobicContact CE2-CB 4.5Å; F1053-I1224 HydrophobicContact CE2-CG1 4.21Å; F1053-I1224 HydrophobicContact CE2-CG2 4.48Å; F1053-Q1227 HydrophobicContact CD1-CG 4.23Å; F1053-Q1227 HydrophobicContact CD2-CB 3.51Å; F1053-Q1227 HydrophobicContact CD2-CG 3.69Å; F1053-Q1227 HydrophobicContact CE1-CG 4.33Å; F1053-Q1227 HydrophobicContact CE2-CB 3.75Å; F1053-Q1227 HydrophobicContact CE2-CG 3.79Å; F1053-Q1227 HydrophobicContact CG-CB 4.14Å; F1053-Q1227 HydrophobicContact CG-CG 3.92Å; F1053-Q1227 HydrophobicContact CZ-CG 4.11Å; F1053-M1228 HydrophobicContact CE2-CE 4.47Å; F1053-M1228 HydrophobicContact CZ-CE 4.1Å |
| 1054 | A | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.08 | C | C | . | . | I | π-helix | trans | -70 | -35.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F759 T821 I1049 A1050 R1059 | F759-A1054 HydrophobicContact CD1-CB 4.32Å; F759-A1054 HydrophobicContact CE1-CB 3.67Å; F759-A1054 HydrophobicContact CZ-CB 4.06Å; T821-A1054 HydrophobicContact CG2-CB 4.01Å; I1049-A1054 HydrophobicContact CG2-CB 4.06Å; A1050-A1054 PolarHBondContact O-N 2.87Å; A1054-R1059 PolarHBondContact O-NE 3.16Å; A1054-R1059 PolarHBondContact O-NH2 3.31Å |
| 1055 | T | 96.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.053 | C | C | . | . | I | π-helix | trans | -90.5 | -26.3 | -170 | -50.8 | 0 | 0 | 0 | 0 | 113.5 | N1051 R1059 R1150 A1151 H1154 I1156 | N1051-T1055 WeakPolarHBondContact O-CB 3.25Å; N1051-T1055 PolarHBondContact O-N 3.33Å; N1051-T1055 PolarHBondContact O-OG1 3.27Å; N1051-T1055 PolarHBondContact OD1-OG1 2.98Å; T1055-R1059 WeakPolarHBondContact O-CD 3.24Å; T1055-R1059 PolarHBondContact O-NE 3.44Å; T1055-R1150 HydrophobicContact CG2-CB 4.32Å; T1055-R1150 HydrophobicContact CG2-CG 4Å; T1055-A1151 HydrophobicContact CG2-CB 4.18Å; T1055-H1154 HydrophobicContact CG2-CB 4.15Å; T1055-H1154 PolarHBondContact OG1-CE1 3.03Å; T1055-H1154 PolarHBondContact OG1-ND1 3.4Å; T1055-I1156 HydrophobicContact CG2-CG1 4.33Å |
| 1056 | A | 97.2 | Very high | 96.4 | Very high | 1 Ų | 1 | 10.2 Ų | 10.2 | 1% | 0.008 | 5% | 0.052 | C | C | . | . | I | π-helix | trans | -133.9 | -52.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E1052 L1201 F1202 L1205 | E1052-A1056 PolarHBondContact O-N 3.14Å; E1052-A1056 VanDerWaalsContact O-N 3.11Å; A1056-L1201 HydrophobicContact CB-CB 4.13Å; A1056-L1201 HydrophobicContact CB-CD2 3.72Å; A1056-L1201 HydrophobicContact CB-CG 3.78Å; A1056-F1202 HydrophobicContact CB-CB 4.3Å; A1056-L1205 HydrophobicContact CB-CD1 4.34Å |
| 1057 | A | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.051 | C | C | . | . | I | π-helix | trans | -69.1 | -52.7 | -165.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1052 F1053 R1059 F1060 L1205 L1220 I1223 I1224 | E1052-A1057 PolarHBondContact O-N 2.88Å; F1053-A1057 PolarHBondContact O-N 3.2Å; A1057-R1059 PolarHBondContact O-N 2.96Å; A1057-F1060 WeakPolarHBondContact O-CD1 3.27Å; A1057-F1060 PolarHBondContact O-N 3.48Å; A1057-L1205 HydrophobicContact CB-CD1 4.03Å; A1057-L1220 HydrophobicContact CB-CD1 3.79Å; A1057-L1220 WeakPolarHBondContact O-CD1 3.42Å; A1057-I1223 HydrophobicContact CB-CB 4.08Å; A1057-I1223 HydrophobicContact CB-CD1 4.43Å; A1057-I1223 HydrophobicContact CB-CG2 3.57Å; A1057-I1224 HydrophobicContact CB-CG1 4.48Å |
| 1058 | F | 97.1 | Very high | 96.1 | Very high | 12 Ų | 12 | 12.1 Ų | 12.1 | 5% | 0.053 | 6% | 0.061 | C | C | . | . | G | 310 helix | trans | -71.4 | -15 | -174.8 | -145 | -116.5 | 0 | 0 | 0 | 113.2 | L816 D817 M820 W1015 F1053 F1060 I1224 M1228 | L816-F1058 HydrophobicContact CD2-CZ 4.15Å; L816-F1058 HydrophobicContact CG-CZ 4.38Å; D817-F1058 HydrophobicContact CB-CD1 3.7Å; D817-F1058 HydrophobicContact CB-CE1 3.84Å; M820-F1058 HydrophobicContact CE-CD1 4.5Å; M820-F1058 HydrophobicContact CE-CE1 3.95Å; M820-F1058 HydrophobicContact CE-CZ 4.05Å; W1015-F1058 HydrophobicContact CH2-CE1 4.47Å; W1015-F1058 AromaticContact CH2-CE2 3.52Å; W1015-F1058 HydrophobicContact CH2-CE2 3.52Å; W1015-F1058 AromaticContact CH2-CZ 3.41Å; W1015-F1058 HydrophobicContact CH2-CZ 3.41Å; W1015-F1058 VanDerWaalsContact CH2-CZ 3.41Å; W1015-F1058 HydrophobicContact CZ2-CZ 4.25Å; W1015-F1058 AromaticContact CZ3-CE2 3.92Å; W1015-F1058 HydrophobicContact CZ3-CE2 3.92Å; W1015-F1058 AromaticContact CZ3-CZ 3.89Å; W1015-F1058 HydrophobicContact CZ3-CZ 3.89Å; F1053-F1058 HydrophobicContact CD1-CB 4.08Å; F1053-F1058 HydrophobicContact CD1-CG 4.46Å; F1053-F1058 HydrophobicContact CD2-CD2 4.45Å; F1053-F1058 HydrophobicContact CE1-CB 3.8Å; F1053-F1058 HydrophobicContact CE1-CD1 4.18Å; F1053-F1058 AromaticContact CE1-CD2 3.88Å; F1053-F1058 HydrophobicContact CE1-CD2 3.88Å; F1053-F1058 HydrophobicContact CE1-CE2 4.48Å; F1053-F1058 AromaticContact CE1-CG 3.7Å; F1053-F1058 HydrophobicContact CE1-CG 3.7Å; F1053-F1058 HydrophobicContact CE2-CB 4.35Å; F1053-F1058 AromaticContact CE2-CD2 3.52Å; F1053-F1058 HydrophobicContact CE2-CD2 3.52Å; F1053-F1058 HydrophobicContact CE2-CE2 4.07Å; F1053-F1058 HydrophobicContact CE2-CG 4.14Å; F1053-F1058 HydrophobicContact CG-CB 4.47Å; F1053-F1058 HydrophobicContact CZ-CB 3.95Å; F1053-F1058 HydrophobicContact CZ-CD1 4.18Å; F1053-F1058 AromaticContact CZ-CD2 3.17Å; F1053-F1058 HydrophobicContact CZ-CD2 3.17Å; F1053-F1058 AromaticContact CZ-CE2 3.58Å; F1053-F1058 HydrophobicContact CZ-CE2 3.58Å; F1053-F1058 AromaticContact CZ-CG 3.52Å; F1053-F1058 HydrophobicContact CZ-CG 3.52Å; F1053-F1058 HydrophobicContact CZ-CZ 4.24Å; F1053-F1058 WeakPolarHBondContact O-CB 3.2Å; F1053-F1058 PolarHBondContact O-N 2.79Å; F1058-F1060 HydrophobicContact CD2-CE1 4.12Å; F1058-F1060 HydrophobicContact CE2-CE1 4.29Å; F1058-F1060 WeakPolarHBondContact O-CD1 3.16Å; F1058-F1060 PolarHBondContact O-N 2.04Å; F1058-I1224 HydrophobicContact CD2-CD1 4.26Å; F1058-I1224 HydrophobicContact CD2-CG1 4.31Å; F1058-M1228 HydrophobicContact CE2-CE 3.78Å; F1058-M1228 HydrophobicContact CZ-CE 4.05Å |
| 1059 | R | 96.6 | Very high | 95.9 | Very high | 51 Ų | 51 | 11.9 Ų | 11.9 | 19% | 0.192 | 6% | 0.059 | C | C | . | . | G | 310 helix | trans | -67.5 | -0.6 | 172.4 | -54.5 | -163.4 | -177.4 | -158.7 | -0.1 | 114.4 | A1054 T1055 A1057 G1061 H1062 N1147 F1202 | A1054-R1059 PolarHBondContact O-NE 3.16Å; A1054-R1059 PolarHBondContact O-NH2 3.31Å; T1055-R1059 WeakPolarHBondContact O-CD 3.24Å; T1055-R1059 PolarHBondContact O-NE 3.44Å; A1057-R1059 PolarHBondContact O-N 2.96Å; R1059-G1061 PolarHBondContact O-N 3.46Å; R1059-G1061 VanDerWaalsContact O-N 3.08Å; R1059-H1062 WeakPolarHBondContact O-CB 3.26Å; R1059-H1062 VanDerWaalsContact O-CG 3.27Å; R1059-H1062 PolarHBondContact O-N 3.38Å; R1059-H1062 VanDerWaalsContact O-N 3.1Å; R1059-H1062 PolarHBondContact O-ND1 2.91Å; R1059-N1147 WeakPolarHBondContact CD-OD1 3.41Å; R1059-N1147 PolarHBondContact NH1-OD1 3.21Å; R1059-F1202 HydrophobicContact CB-CD2 4.11Å; R1059-F1202 HydrophobicContact CB-CE2 3.82Å |
| 1060 | F | 96.2 | Very high | 95.5 | Very high | 4 Ų | 4 | 13.9 Ų | 13.9 | 2% | 0.018 | 7% | 0.069 | C | C | . | . | G | 310 helix | trans | -56.6 | -18.5 | 169.7 | 85.8 | -82.4 | 0 | 0 | 0 | 113.6 | W1015 V1019 A1057 F1058 H1062 T1063 L1064 F1118 I1206 L1215 V1216 L1220 I1224 | W1015-F1060 HydrophobicContact CH2-CE1 4.13Å; W1015-F1060 AromaticContact CH2-CZ 3.87Å; W1015-F1060 HydrophobicContact CH2-CZ 3.87Å; W1015-F1060 AromaticContact CZ2-CZ 3.96Å; W1015-F1060 HydrophobicContact CZ2-CZ 3.96Å; V1019-F1060 HydrophobicContact CB-CZ 4.49Å; V1019-F1060 HydrophobicContact CG1-CE1 4.25Å; V1019-F1060 HydrophobicContact CG1-CE2 3.98Å; V1019-F1060 HydrophobicContact CG1-CZ 3.56Å; V1019-F1060 HydrophobicContact CG2-CE2 4.48Å; V1019-F1060 HydrophobicContact CG2-CZ 4.05Å; A1057-F1060 WeakPolarHBondContact O-CD1 3.27Å; A1057-F1060 PolarHBondContact O-N 3.48Å; F1058-F1060 HydrophobicContact CD2-CE1 4.12Å; F1058-F1060 HydrophobicContact CE2-CE1 4.29Å; F1058-F1060 WeakPolarHBondContact O-CD1 3.16Å; F1058-F1060 PolarHBondContact O-N 2.04Å; F1060-H1062 PolarHBondContact O-N 2.89Å; F1060-T1063 WeakPolarHBondContact O-CG2 3.46Å; F1060-T1063 PolarHBondContact O-N 2.82Å; F1060-L1064 HydrophobicContact CD2-CD1 4.39Å; F1060-L1064 HydrophobicContact CE2-CD1 4.07Å; F1060-F1118 HydrophobicContact CB-CD2 4.47Å; F1060-F1118 HydrophobicContact CB-CE2 4.06Å; F1060-F1118 HydrophobicContact CD2-CD2 4.22Å; F1060-F1118 HydrophobicContact CD2-CE2 4.46Å; F1060-I1206 HydrophobicContact CB-CG2 4.39Å; F1060-L1215 HydrophobicContact CE2-CD2 4.28Å; F1060-V1216 HydrophobicContact CD2-CG1 3.9Å; F1060-V1216 HydrophobicContact CE2-CG1 4.09Å; F1060-V1216 HydrophobicContact CG-CG1 4.32Å; F1060-L1220 HydrophobicContact CB-CD1 4.46Å; F1060-L1220 HydrophobicContact CB-CD2 3.71Å; F1060-L1220 HydrophobicContact CG-CD2 4.22Å; F1060-I1224 HydrophobicContact CD1-CD1 3.8Å; F1060-I1224 HydrophobicContact CE1-CD1 3.73Å |
| 1061 | G | 95 | Very high | 95.2 | Very high | 18 Ų | 18 | 13.9 Ų | 13.9 | 19% | 0.186 | 7% | 0.07 | C | C | . | . | G | 310 helix | trans | -54.1 | -30 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R1059 T1063 L1064 I1065 | R1059-G1061 PolarHBondContact O-N 3.46Å; R1059-G1061 VanDerWaalsContact O-N 3.08Å; G1061-T1063 PolarHBondContact O-N 3.35Å; G1061-L1064 WeakPolarHBondContact O-CB 3.36Å; G1061-L1064 PolarHBondContact O-N 3.19Å; G1061-L1064 VanDerWaalsContact O-N 3.07Å; G1061-I1065 VanDerWaalsContact O-CG1 3.3Å; G1061-I1065 WeakPolarHBondContact O-CG1 3.49Å |
| 1062 | H | 95.8 | Very high | 94.7 | Very high | 37 Ų | 37 | 14.8 Ų | 14.8 | 17% | 0.171 | 7% | 0.074 | C | C | . | . | G | 310 helix | trans | -66.5 | -28.6 | -174 | -57.6 | 150.4 | 0 | 0 | 0 | 115.1 | R1059 F1060 L1064 L1143 N1147 | R1059-H1062 WeakPolarHBondContact O-CB 3.26Å; R1059-H1062 VanDerWaalsContact O-CG 3.27Å; R1059-H1062 PolarHBondContact O-N 3.38Å; R1059-H1062 VanDerWaalsContact O-N 3.1Å; R1059-H1062 PolarHBondContact O-ND1 2.91Å; F1060-H1062 PolarHBondContact O-N 2.89Å; H1062-L1064 VanDerWaalsContact C-N 3.33Å; H1062-L1143 HydrophobicContact CB-CD2 4.39Å; H1062-N1147 PolarHBondContact ND1-ND2 3.19Å |
| 1063 | T | 95.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 17.5 Ų | 17.5 | 2% | 0.018 | 9% | 0.086 | C | C | . | . | G | 310 helix | trans | -72.2 | -28.5 | 173 | 163.5 | 0 | 0 | 0 | 0 | 111.6 | F1060 G1061 I1065 M1116 A1117 F1118 D1119 Y1121 | F1060-T1063 WeakPolarHBondContact O-CG2 3.46Å; F1060-T1063 PolarHBondContact O-N 2.82Å; G1061-T1063 PolarHBondContact O-N 3.35Å; T1063-I1065 VanDerWaalsContact C-N 3.25Å; T1063-I1065 PolarHBondContact O-N 3.16Å; T1063-M1116 WeakPolarHBondContact O-CB 3.47Å; T1063-A1117 PolarHBondContact OG1-O 3.24Å; T1063-F1118 HydrophobicContact CG2-CD2 3.8Å; T1063-F1118 HydrophobicContact CG2-CE2 4.38Å; T1063-D1119 VanDerWaalsContact CB-O 3.3Å; T1063-D1119 WeakPolarHBondContact CB-O 3.28Å; T1063-D1119 PolarHBondContact OG1-N 3Å; T1063-D1119 VanDerWaalsContact OG1-N 3.15Å; T1063-D1119 PolarHBondContact OG1-O 3.48Å; T1063-Y1121 PolarHBondContact OG1-O 3.24Å |
| 1064 | L | 95.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.01 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | -75.9 | -6 | -176.7 | -50.5 | 179.9 | 0 | 0 | 0 | 114.5 | L809 M810 F1060 G1061 H1062 M1116 F1118 L1215 | L809-L1064 HydrophobicContact CD2-CD1 3.95Å; M810-L1064 HydrophobicContact CB-CB 3.83Å; M810-L1064 HydrophobicContact CB-CD1 4.26Å; M810-L1064 HydrophobicContact CG-CB 3.77Å; F1060-L1064 HydrophobicContact CD2-CD1 4.39Å; F1060-L1064 HydrophobicContact CE2-CD1 4.07Å; G1061-L1064 WeakPolarHBondContact O-CB 3.36Å; G1061-L1064 PolarHBondContact O-N 3.19Å; G1061-L1064 VanDerWaalsContact O-N 3.07Å; H1062-L1064 VanDerWaalsContact C-N 3.33Å; L1064-M1116 PolarHBondContact O-N 3.25Å; L1064-F1118 HydrophobicContact CD2-CB 3.98Å; L1064-L1215 HydrophobicContact CD1-CD2 3.88Å; L1064-L1215 HydrophobicContact CD2-CD1 4.42Å; L1064-L1215 HydrophobicContact CD2-CD2 4.05Å |
| 1065 | I | 95.2 | Very high | 92.5 | Very high | 13 Ų | 13 | 21.7 Ų | 21.7 | 7% | 0.067 | 11% | 0.107 | C | C | . | . | trans | -86.6 | 125.9 | -169.5 | -48.1 | -166.1 | 0 | 0 | 0 | 111.7 | M810 G1061 T1063 L1085 M1116 N1123 L1126 | M810-I1065 HydrophobicContact CE-CB 4.08Å; M810-I1065 HydrophobicContact CE-CD1 4.27Å; M810-I1065 HydrophobicContact CE-CG1 3.73Å; M810-I1065 HydrophobicContact CE-CG2 3.93Å; M810-I1065 HydrophobicContact CG-CG1 3.91Å; M810-I1065 HydrophobicContact SD-CD1 3.95Å; M810-I1065 HydrophobicContact SD-CG1 3.74Å; G1061-I1065 VanDerWaalsContact O-CG1 3.3Å; G1061-I1065 WeakPolarHBondContact O-CG1 3.49Å; T1063-I1065 VanDerWaalsContact C-N 3.25Å; T1063-I1065 PolarHBondContact O-N 3.16Å; I1065-L1085 HydrophobicContact CG2-CD2 3.67Å; I1065-M1116 VanDerWaalsContact C-CG 3.46Å; I1065-M1116 WeakPolarHBondContact O-CG 3.46Å; I1065-N1123 PolarHBondContact O-ND2 3.48Å; I1065-L1126 HydrophobicContact CB-CD1 3.83Å; I1065-L1126 HydrophobicContact CD1-CD1 3.89Å; I1065-L1126 HydrophobicContact CG1-CD1 4.18Å; I1065-L1126 HydrophobicContact CG2-CD1 4.1Å | ||
| 1066 | R | 93.3 | Very high | 91.6 | Very high | 23 Ų | 23 | 28.3 Ų | 28.3 | 9% | 0.087 | 14% | 0.138 | C | C | . | . | trans | -74.5 | 147.5 | 173.7 | -57.2 | 179.3 | 65.2 | 67 | 17.2 | 111.8 | H807 D1068 P1114 M1116 | H807-R1066 PolarHBondContact NE2-N 3.11Å; H807-R1066 VanDerWaalsContact NE2-N 3.12Å; R1066-D1068 WeakPolarHBondContact CB-O 3.33Å; R1066-D1068 WeakPolarHBondContact CD-O 3.37Å; R1066-D1068 PolarHBondContact NE-O 2.7Å; R1066-P1114 WeakPolarHBondContact CD-O 3.45Å; R1066-P1114 PolarHBondContact NH1-O 3.41Å; R1066-P1114 VanDerWaalsContact NH1-O 3.1Å; R1066-M1116 HydrophobicContact CB-SD 4.43Å; R1066-M1116 HydrophobicContact CG-CG 4.21Å; R1066-M1116 HydrophobicContact CG-SD 4.02Å | ||
| 1067 | E | 92.4 | Very high | 90.9 | Very high | 37 Ų | 37 | 31.4 Ų | 31.4 | 17% | 0.173 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -73 | -30.7 | 165.1 | 24.3 | -164.1 | 115.3 | 0 | 0 | 112.5 | S797 R1084 L1085 N1123 Q1124 | S797-E1067 PolarHBondContact OG-OE1 3.31Å; E1067-R1084 CarbonylContact O-C 3.53Å; E1067-R1084 WeakPolarHBondContact O-CA 3.46Å; E1067-L1085 PolarHBondContact O-N 3.31Å; E1067-N1123 HydrophobicContact CB-CB 3.89Å; E1067-N1123 HydrophobicContact CG-CB 3.73Å; E1067-N1123 WeakPolarHBondContact OE1-CA 3.42Å; E1067-N1123 VanDerWaalsContact OE1-CB 3.23Å; E1067-N1123 WeakPolarHBondContact OE1-CB 3.19Å; E1067-Q1124 PolarHBondContact OE1-N 3.2Å |
| 1068 | D | 90.9 | Very high | 90.2 | Very high | 42 Ų | 42 | 34 Ų | 34 | 23% | 0.225 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 128.8 | 175.3 | -56 | -68.2 | 0 | 0 | 0 | 113.7 | R1066 R1084 | R1066-D1068 WeakPolarHBondContact CB-O 3.33Å; R1066-D1068 WeakPolarHBondContact CD-O 3.37Å; R1066-D1068 PolarHBondContact NE-O 2.7Å; D1068-R1084 WeakPolarHBondContact OD1-CG 3.49Å |
| 1069 | F | 92.3 | Very high | 89.8 | Confident | 5 Ų | 5 | 38.9 Ų | 38.9 | 2% | 0.022 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 119.6 | 172.1 | -74.8 | -121.6 | 0 | 0 | 0 | 109.8 | H807 M811 Q1082 I1083 L1085 M1088 L1110 | H807-F1069 AromaticContact CE1-CE1 3.62Å; H807-F1069 AromaticContact CE1-CE2 3.63Å; H807-F1069 AromaticContact CE1-CZ 3.4Å; H807-F1069 WeakPolarHBondContact CE1-CZ 3.3Å; H807-F1069 AromaticContact ND1-CE1 3.99Å; M811-F1069 HydrophobicContact CE-CE1 3.98Å; M811-F1069 HydrophobicContact CE-CZ 3.94Å; M811-F1069 HydrophobicContact SD-CE1 4.35Å; F1069-Q1082 WeakPolarHBondContact O-CA 3.14Å; F1069-I1083 PolarHBondContact N-O 3.24Å; F1069-I1083 PolarHBondContact O-N 3.31Å; F1069-L1085 HydrophobicContact CD2-CB 4.43Å; F1069-L1085 HydrophobicContact CE2-CB 4.06Å; F1069-L1085 HydrophobicContact CE2-CD1 3.81Å; F1069-L1085 HydrophobicContact CE2-CG 4.36Å; F1069-L1085 HydrophobicContact CZ-CD1 4.13Å; F1069-M1088 HydrophobicContact CB-CE 4.33Å; F1069-M1088 HydrophobicContact CB-SD 3.65Å; F1069-M1088 HydrophobicContact CD1-CE 3.91Å; F1069-M1088 HydrophobicContact CD1-SD 3.91Å; F1069-M1088 HydrophobicContact CD2-SD 3.79Å; F1069-M1088 HydrophobicContact CE1-CE 4.39Å; F1069-M1088 HydrophobicContact CE1-SD 4.48Å; F1069-M1088 HydrophobicContact CE2-SD 4.39Å; F1069-M1088 HydrophobicContact CG-CE 4.13Å; F1069-M1088 HydrophobicContact CG-SD 3.53Å; F1069-M1088 VanDerWaalsContact CG-SD 3.53Å; F1069-L1110 HydrophobicContact CD1-CD2 3.92Å; F1069-L1110 HydrophobicContact CE1-CD2 3.88Å |
| 1070 | L | 91.1 | Very high | 89.4 | Confident | 42 Ų | 42 | 39.5 Ų | 39.5 | 22% | 0.22 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 136.8 | -179.4 | -48.5 | -179.3 | 0 | 0 | 0 | 111 | I1072 F1079 Q1082 G1109 | L1070-I1072 HydrophobicContact CB-CD1 4.3Å; L1070-I1072 HydrophobicContact CB-CG1 4.24Å; L1070-I1072 HydrophobicContact CD1-CD1 4.48Å; L1070-F1079 HydrophobicContact CD2-CE2 4.11Å; L1070-Q1082 HydrophobicContact CD2-CB 4.06Å; L1070-G1109 WeakPolarHBondContact O-CA 3.42Å |
| 1071 | L | 89.9 | Confident | 89 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 123.7 | 166.2 | -57.7 | -168.1 | 0 | 0 | 0 | 109.2 | V1080 D1081 I1083 Y1098 L1105 I1106 | L1071-V1080 HydrophobicContact CB-CB 4.24Å; L1071-V1080 PolarHBondContact O-N 3.48Å; L1071-D1081 WeakPolarHBondContact CB-O 3.33Å; L1071-D1081 HydrophobicContact CD1-CB 4.27Å; L1071-D1081 PolarHBondContact N-O 3.03Å; L1071-I1083 HydrophobicContact CD1-CD1 4.18Å; L1071-Y1098 HydrophobicContact CD1-CD2 4.13Å; L1071-Y1098 HydrophobicContact CD1-CE1 4.05Å; L1071-Y1098 HydrophobicContact CD1-CE2 3.44Å; L1071-Y1098 VanDerWaalsContact CD1-CE2 3.44Å; L1071-Y1098 WeakPolarHBondContact CD1-OH 3.42Å; L1071-L1105 HydrophobicContact CB-CB 4.22Å; L1071-L1105 HydrophobicContact CD2-CB 4.34Å; L1071-I1106 HydrophobicContact CD2-CB 4.35Å; L1071-I1106 HydrophobicContact CD2-CD1 4.33Å; L1071-I1106 HydrophobicContact CD2-CG1 3.33Å |
| 1072 | I | 88.4 | Confident | 88.8 | Confident | 18 Ų | 18 | 46.3 Ų | 46.3 | 9% | 0.092 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 131.1 | -174.1 | -63.4 | 178.3 | 0 | 0 | 0 | 110.1 | L1070 P1074 S1078 L1105 A1108 R1112 | L1070-I1072 HydrophobicContact CB-CD1 4.3Å; L1070-I1072 HydrophobicContact CB-CG1 4.24Å; L1070-I1072 HydrophobicContact CD1-CD1 4.48Å; I1072-P1074 WeakPolarHBondContact O-CD 3.45Å; I1072-S1078 CarbonylContact C-O 3.54Å; I1072-S1078 WeakPolarHBondContact CA-O 3.39Å; I1072-L1105 PolarHBondContact N-O 3.25Å; I1072-L1105 WeakPolarHBondContact O-CD2 3.26Å; I1072-A1108 HydrophobicContact CB-CB 4.41Å; I1072-A1108 VanDerWaalsContact O-CB 3.3Å; I1072-A1108 WeakPolarHBondContact O-CB 3.4Å; I1072-R1112 HydrophobicContact CD1-CB 3.99Å |
| 1073 | H | 86.4 | Confident | 88.6 | Confident | 57 Ų | 57 | 45.7 Ų | 45.7 | 26% | 0.264 | 23% | 0.227 | S | C | . | . | trans | -65.2 | 121.8 | -179.7 | -165.1 | -61.9 | 0 | 0 | 0 | 110.9 | Q1075 H1076 H1077 S1078 V1080 | H1073-Q1075 VanDerWaalsContact C-N 3.35Å; H1073-Q1075 PolarHBondContact CE1-OE1 2.68Å; H1073-Q1075 PolarHBondContact ND1-N 2.7Å; H1073-Q1075 PolarHBondContact ND1-OE1 3.31Å; H1073-Q1075 VanDerWaalsContact ND1-OE1 3.15Å; H1073-Q1075 PolarHBondContact O-N 3.35Å; H1073-H1076 HydrophobicContact CB-CB 4.32Å; H1073-H1076 AromaticContact CD2-CD2 3.88Å; H1073-H1076 AromaticContact CE1-CD2 3.35Å; H1073-H1076 PolarHBondContact CE1-CD2 2.68Å; H1073-H1076 AromaticContact CE1-NE2 3.84Å; H1073-H1076 AromaticContact CG-CD2 3.84Å; H1073-H1076 AromaticContact ND1-CD2 3.52Å; H1073-H1076 AromaticContact ND1-CG 3.97Å; H1073-H1076 AromaticContact NE2-CD2 3.59Å; H1073-H1077 VanDerWaalsContact O-CA 3.28Å; H1073-H1077 WeakPolarHBondContact O-CA 3.47Å; H1073-H1077 PolarHBondContact O-N 3.28Å; H1073-S1078 WeakPolarHBondContact CB-OG 3.2Å; H1073-S1078 PolarHBondContact N-O 2.64Å; H1073-V1080 HydrophobicContact CB-CG2 4.06Å | ||
| 1074 | P | 80.3 | Confident | 88.5 | Confident | 7 Ų | 7 | 50.1 Ų | 50.1 | 5% | 0.045 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -38.5 | -169.5 | -28.3 | 35.4 | 0 | 0 | 0 | 115.3 | I1072 H1077 Q1104 A1108 R1271 V1272 | I1072-P1074 WeakPolarHBondContact O-CD 3.45Å; P1074-H1077 PolarHBondContact O-CD2 3.49Å; P1074-Q1104 HydrophobicContact CG-CB 3.85Å; P1074-A1108 HydrophobicContact CB-CB 4.44Å; P1074-A1108 HydrophobicContact CG-CB 4.23Å; P1074-R1271 HydrophobicContact CG-CB 4.47Å; P1074-V1272 HydrophobicContact CB-CG2 4.16Å |
| 1075 | Q | 79.1 | Confident | 88.4 | Confident | 82 Ų | 82 | 50.2 Ų | 50.2 | 38% | 0.383 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -41.8 | -177.9 | -56.6 | 91.1 | -35.4 | 0 | 0 | 114.1 | H1073 R1271 | H1073-Q1075 VanDerWaalsContact C-N 3.35Å; H1073-Q1075 PolarHBondContact CE1-OE1 2.68Å; H1073-Q1075 PolarHBondContact ND1-N 2.7Å; H1073-Q1075 PolarHBondContact ND1-OE1 3.31Å; H1073-Q1075 VanDerWaalsContact ND1-OE1 3.15Å; H1073-Q1075 PolarHBondContact O-N 3.35Å; Q1075-R1271 WeakPolarHBondContact CG-O 3.32Å; Q1075-R1271 PolarHBondContact NE2-O 2.89Å |
| 1076 | H | 78.7 | Confident | 88.2 | Confident | 139 Ų | 139 | 51.9 Ų | 51.9 | 64% | 0.644 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -16.7 | -176.1 | -58 | -46.4 | 0 | 0 | 0 | 113.2 | H1073 S1078 | H1073-H1076 HydrophobicContact CB-CB 4.32Å; H1073-H1076 AromaticContact CD2-CD2 3.88Å; H1073-H1076 AromaticContact CE1-CD2 3.35Å; H1073-H1076 PolarHBondContact CE1-CD2 2.68Å; H1073-H1076 AromaticContact CE1-NE2 3.84Å; H1073-H1076 AromaticContact CG-CD2 3.84Å; H1073-H1076 AromaticContact ND1-CD2 3.52Å; H1073-H1076 AromaticContact ND1-CG 3.97Å; H1073-H1076 AromaticContact NE2-CD2 3.59Å; H1076-S1078 PolarHBondContact O-N 3.41Å; H1076-S1078 VanDerWaalsContact O-N 3.09Å |
| 1077 | H | 80.9 | Confident | 88 | Confident | 65 Ų | 65 | 55.3 Ų | 55.3 | 30% | 0.301 | 27% | 0.271 | S | S | . | . | trans | 59.6 | 10.6 | -175.1 | -41.3 | 138.9 | 0 | 0 | 0 | 114.8 | H1073 P1074 R1112 Q1287 | H1073-H1077 VanDerWaalsContact O-CA 3.28Å; H1073-H1077 WeakPolarHBondContact O-CA 3.47Å; H1073-H1077 PolarHBondContact O-N 3.28Å; P1074-H1077 PolarHBondContact O-CD2 3.49Å; H1077-R1112 PolarHBondContact CD2-NH1 2.86Å; H1077-R1112 VanDerWaalsContact CD2-NH1 3.3Å; H1077-R1112 PolarHBondContact CD2-NH2 3.49Å; H1077-R1112 PolarHBondContact NE2-NH2 3.02Å; H1077-Q1287 PolarHBondContact CE1-OE1 2.8Å | ||
| 1078 | S | 84.6 | Confident | 87.9 | Confident | 55 Ų | 55 | 53.6 Ų | 53.6 | 39% | 0.385 | 26% | 0.263 | S | S | . | . | trans | -68.6 | 143.4 | 173.4 | 54.2 | 0 | 0 | 0 | 0 | 110.9 | I1072 H1073 H1076 | I1072-S1078 CarbonylContact C-O 3.54Å; I1072-S1078 WeakPolarHBondContact CA-O 3.39Å; H1073-S1078 WeakPolarHBondContact CB-OG 3.2Å; H1073-S1078 PolarHBondContact N-O 2.64Å; H1076-S1078 PolarHBondContact O-N 3.41Å; H1076-S1078 VanDerWaalsContact O-N 3.09Å | ||
| 1079 | F | 88 | Confident | 87.9 | Confident | 115 Ų | 115 | 51.7 Ų | 51.7 | 50% | 0.504 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 143.6 | 161.4 | 179.2 | -98.5 | 0 | 0 | 0 | 109.8 | L1070 D1081 Q1082 | L1070-F1079 HydrophobicContact CD2-CE2 4.11Å; F1079-D1081 VanDerWaalsContact CE2-C 3.5Å; F1079-D1081 WeakPolarHBondContact CE2-O 3.48Å; F1079-D1081 WeakPolarHBondContact CZ-O 3.37Å; F1079-Q1082 HydrophobicContact CE2-CB 3.96Å; F1079-Q1082 HydrophobicContact CZ-CB 3.98Å; F1079-Q1082 HydrophobicContact CZ-CG 4.11Å |
| 1080 | V | 87.2 | Confident | 87.6 | Confident | 63 Ų | 63 | 52.2 Ų | 52.2 | 38% | 0.382 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | -53.5 | 176.9 | 176.8 | 0 | 0 | 0 | 0 | 110 | L1071 H1073 Y1098 L1105 | L1071-V1080 HydrophobicContact CB-CB 4.24Å; L1071-V1080 PolarHBondContact O-N 3.48Å; H1073-V1080 HydrophobicContact CB-CG2 4.06Å; V1080-Y1098 HydrophobicContact CG1-CE1 4.48Å; V1080-L1105 HydrophobicContact CB-CD2 4.38Å; V1080-L1105 HydrophobicContact CG2-CD2 3.83Å |
| 1081 | D | 89.3 | Confident | 87.3 | Confident | 67 Ų | 67 | 51.7 Ų | 51.7 | 36% | 0.358 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 176.7 | 176.9 | -169.4 | 20.9 | 0 | 0 | 0 | 109.7 | L1071 F1079 Y1098 | L1071-D1081 WeakPolarHBondContact CB-O 3.33Å; L1071-D1081 HydrophobicContact CD1-CB 4.27Å; L1071-D1081 PolarHBondContact N-O 3.03Å; F1079-D1081 VanDerWaalsContact CE2-C 3.5Å; F1079-D1081 WeakPolarHBondContact CE2-O 3.48Å; F1079-D1081 WeakPolarHBondContact CZ-O 3.37Å; D1081-Y1098 PolarHBondContact OD2-OH 2.82Å; D1081-Y1098 VanDerWaalsContact OD2-OH 3.08Å |
| 1082 | Q | 90.3 | Very high | 87.1 | Confident | 99 Ų | 99 | 51.6 Ų | 51.6 | 46% | 0.463 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 142.1 | 169.6 | 64.2 | -175.4 | 12.8 | 0 | 0 | 112 | F1069 L1070 F1079 | F1069-Q1082 WeakPolarHBondContact O-CA 3.14Å; L1070-Q1082 HydrophobicContact CD2-CB 4.06Å; F1079-Q1082 HydrophobicContact CE2-CB 3.96Å; F1079-Q1082 HydrophobicContact CZ-CB 3.98Å; F1079-Q1082 HydrophobicContact CZ-CG 4.11Å |
| 1083 | I | 91.6 | Very high | 86.9 | Confident | 24 Ų | 24 | 52.4 Ų | 52.4 | 12% | 0.123 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 129.5 | -179.5 | -51.5 | 179.2 | 0 | 0 | 0 | 108.8 | F1069 L1071 N1087 M1088 P1094 | F1069-I1083 PolarHBondContact N-O 3.24Å; F1069-I1083 PolarHBondContact O-N 3.31Å; L1071-I1083 HydrophobicContact CD1-CD1 4.18Å; I1083-N1087 HydrophobicContact CG2-CB 4.11Å; I1083-M1088 HydrophobicContact CB-CG 4.22Å; I1083-M1088 HydrophobicContact CB-SD 4.28Å; I1083-M1088 HydrophobicContact CG2-CG 3.56Å; I1083-M1088 HydrophobicContact CG2-SD 4.26Å; I1083-P1094 HydrophobicContact CD1-CB 3.7Å; I1083-P1094 HydrophobicContact CD1-CG 3.85Å |
| 1084 | R | 92.9 | Very high | 86.8 | Confident | 96 Ų | 96 | 50 Ų | 50 | 36% | 0.362 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 138.9 | 171.7 | -81.9 | -175.2 | 70.4 | 143 | 3.1 | 111.1 | E1067 D1068 K1086 N1087 D1125 | E1067-R1084 CarbonylContact O-C 3.53Å; E1067-R1084 WeakPolarHBondContact O-CA 3.46Å; D1068-R1084 WeakPolarHBondContact OD1-CG 3.49Å; R1084-K1086 PolarHBondContact O-N 3.48Å; R1084-K1086 VanDerWaalsContact O-N 3.14Å; R1084-N1087 WeakPolarHBondContact O-CB 3.37Å; R1084-N1087 PolarHBondContact O-N 3.34Å; R1084-D1125 IonicContact CZ-OD1 3.39Å; R1084-D1125 IonicContact NE-OD1 2.6Å; R1084-D1125 PolarHBondContact NE-OD1 2.82Å; R1084-D1125 IonicContact NE-OD2 2.96Å; R1084-D1125 IonicContact NH2-OD1 3.32Å; R1084-D1125 PolarHBondContact NH2-OD1 3.41Å |
| 1085 | L | 93.3 | Very high | 87.1 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -50.5 | -41.3 | -178.1 | 174.8 | 58.4 | 0 | 0 | 0 | 112.5 | N962 I1065 E1067 F1069 N1087 M1088 F1089 D1125 L1126 | N962-L1085 HydrophobicContact CB-CD1 4.44Å; I1065-L1085 HydrophobicContact CG2-CD2 3.67Å; E1067-L1085 PolarHBondContact O-N 3.31Å; F1069-L1085 HydrophobicContact CD2-CB 4.43Å; F1069-L1085 HydrophobicContact CE2-CB 4.06Å; F1069-L1085 HydrophobicContact CE2-CD1 3.81Å; F1069-L1085 HydrophobicContact CE2-CG 4.36Å; F1069-L1085 HydrophobicContact CZ-CD1 4.13Å; L1085-N1087 PolarHBondContact O-N 2.93Å; L1085-N1087 VanDerWaalsContact O-N 3.14Å; L1085-M1088 WeakPolarHBondContact O-CB 3.09Å; L1085-M1088 PolarHBondContact O-N 3.13Å; L1085-F1089 HydrophobicContact CD1-CD1 4.43Å; L1085-F1089 HydrophobicContact CD1-CE1 3.8Å; L1085-F1089 HydrophobicContact CD1-CZ 3.97Å; L1085-F1089 HydrophobicContact CD2-CZ 4.05Å; L1085-F1089 HydrophobicContact CG-CE1 4.03Å; L1085-F1089 HydrophobicContact CG-CE2 4.22Å; L1085-F1089 HydrophobicContact CG-CZ 3.64Å; L1085-F1089 PolarHBondContact O-N 3.19Å; L1085-D1125 HydrophobicContact CB-CB 4.03Å; L1085-D1125 HydrophobicContact CD2-CB 4.34Å; L1085-D1125 HydrophobicContact CG-CB 4.39Å; L1085-D1125 PolarHBondContact N-OD2 2.91Å; L1085-L1126 HydrophobicContact CD2-CD1 4.43Å; L1085-L1126 HydrophobicContact CD2-CD2 3.84Å; L1085-L1126 HydrophobicContact CD2-CG 3.87Å |
| 1086 | K | 90.9 | Very high | 87 | Confident | 48 Ų | 48 | 48.6 Ų | 48.6 | 21% | 0.209 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.5 | -21.7 | -179.7 | 75.3 | 175.8 | -167 | 163.9 | 0 | 115.1 | R1084 F1089 D1125 H1129 E1132 | R1084-K1086 PolarHBondContact O-N 3.48Å; R1084-K1086 VanDerWaalsContact O-N 3.14Å; K1086-F1089 HydrophobicContact CB-CD2 4.39Å; K1086-F1089 HydrophobicContact CB-CE2 4.33Å; K1086-D1125 HydrophobicContact CB-CB 4.17Å; K1086-D1125 WeakPolarHBondContact CB-OD2 3.36Å; K1086-D1125 WeakPolarHBondContact CG-OD2 3.36Å; K1086-D1125 PolarHBondContact N-OD2 3.03Å; K1086-H1129 HydrophobicContact CB-CB 3.96Å; K1086-H1129 HydrophobicContact CD-CB 3.49Å; K1086-H1129 VanDerWaalsContact CD-CB 3.49Å; K1086-H1129 HydrophobicContact CG-CB 4.43Å; K1086-H1129 PolarHBondContact NZ-CE1 3.22Å; K1086-H1129 PolarHBondContact NZ-ND1 3.29Å; K1086-E1132 IonicContact NZ-OE2 3.52Å; K1086-E1132 PolarHBondContact NZ-OE2 3.3Å |
| 1087 | N | 89.8 | Confident | 86.4 | Confident | 96 Ų | 96 | 48.7 Ų | 48.7 | 51% | 0.513 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -88.1 | -10.5 | 174.1 | -62.9 | -16.6 | 0 | 0 | 0 | 112.8 | I1083 R1084 L1085 N1091 | I1083-N1087 HydrophobicContact CG2-CB 4.11Å; R1084-N1087 WeakPolarHBondContact O-CB 3.37Å; R1084-N1087 PolarHBondContact O-N 3.34Å; L1085-N1087 PolarHBondContact O-N 2.93Å; L1085-N1087 VanDerWaalsContact O-N 3.14Å; N1087-N1091 PolarHBondContact O-ND2 3.5Å |
| 1088 | M | 90.8 | Very high | 85.3 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -93 | -16.9 | 178.5 | -61 | -177.4 | 69.7 | 0 | 0 | 113.2 | S963 F1069 I1083 L1085 F1090 N1091 I1106 | S963-M1088 PolarHBondContact N-O 3.43Å; S963-M1088 PolarHBondContact OG-O 3.06Å; F1069-M1088 HydrophobicContact CB-CE 4.33Å; F1069-M1088 HydrophobicContact CB-SD 3.65Å; F1069-M1088 HydrophobicContact CD1-CE 3.91Å; F1069-M1088 HydrophobicContact CD1-SD 3.91Å; F1069-M1088 HydrophobicContact CD2-SD 3.79Å; F1069-M1088 HydrophobicContact CE1-CE 4.39Å; F1069-M1088 HydrophobicContact CE1-SD 4.48Å; F1069-M1088 HydrophobicContact CE2-SD 4.39Å; F1069-M1088 HydrophobicContact CG-CE 4.13Å; F1069-M1088 HydrophobicContact CG-SD 3.53Å; F1069-M1088 VanDerWaalsContact CG-SD 3.53Å; I1083-M1088 HydrophobicContact CB-CG 4.22Å; I1083-M1088 HydrophobicContact CB-SD 4.28Å; I1083-M1088 HydrophobicContact CG2-CG 3.56Å; I1083-M1088 HydrophobicContact CG2-SD 4.26Å; L1085-M1088 WeakPolarHBondContact O-CB 3.09Å; L1085-M1088 PolarHBondContact O-N 3.13Å; M1088-F1090 PolarHBondContact O-N 2.95Å; M1088-N1091 PolarHBondContact O-N 3.32Å; M1088-I1106 HydrophobicContact CE-CD1 4.3Å |
| 1089 | F | 89.6 | Confident | 83.8 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.009 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -62.2 | 127.1 | -179.5 | -68 | -49.9 | 0 | 0 | 0 | 112.2 | E961 N962 L1085 K1086 N1091 L1126 L1130 F1131 | E961-F1089 CarbonylContact O-C 3.45Å; E961-F1089 WeakPolarHBondContact O-CA 3.49Å; N962-F1089 HydrophobicContact CB-CD1 4.29Å; L1085-F1089 HydrophobicContact CD1-CD1 4.43Å; L1085-F1089 HydrophobicContact CD1-CE1 3.8Å; L1085-F1089 HydrophobicContact CD1-CZ 3.97Å; L1085-F1089 HydrophobicContact CD2-CZ 4.05Å; L1085-F1089 HydrophobicContact CG-CE1 4.03Å; L1085-F1089 HydrophobicContact CG-CE2 4.22Å; L1085-F1089 HydrophobicContact CG-CZ 3.64Å; L1085-F1089 PolarHBondContact O-N 3.19Å; K1086-F1089 HydrophobicContact CB-CD2 4.39Å; K1086-F1089 HydrophobicContact CB-CE2 4.33Å; F1089-N1091 PolarHBondContact O-N 2.95Å; F1089-N1091 VanDerWaalsContact O-N 3.08Å; F1089-L1126 HydrophobicContact CZ-CD2 4Å; F1089-L1130 HydrophobicContact CE1-CD1 4.33Å; F1089-L1130 HydrophobicContact CE2-CD1 4.43Å; F1089-L1130 HydrophobicContact CZ-CD1 3.91Å; F1089-F1131 HydrophobicContact CB-CD1 4.04Å; F1089-F1131 AromaticContact CD1-CD1 3.76Å; F1089-F1131 HydrophobicContact CD1-CD1 3.76Å; F1089-F1131 AromaticContact CD1-CE1 3.76Å; F1089-F1131 HydrophobicContact CD1-CE1 3.76Å; F1089-F1131 HydrophobicContact CD2-CD1 4.11Å; F1089-F1131 HydrophobicContact CE1-CD1 4.21Å; F1089-F1131 HydrophobicContact CE1-CE1 4.03Å; F1089-F1131 AromaticContact CG-CD1 3.73Å; F1089-F1131 HydrophobicContact CG-CD1 3.73Å; F1089-F1131 HydrophobicContact CG-CE1 4.21Å |
| 1090 | F | 86.3 | Confident | 82.3 | Confident | 15 Ų | 15 | 50.7 Ų | 50.7 | 7% | 0.066 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 27.6 | -178 | -52.1 | -68.3 | 0 | 0 | 0 | 114.6 | D943 K945 N960 E961 M1088 F1131 | D943-F1090 HydrophobicContact CB-CD1 3.99Å; D943-F1090 HydrophobicContact CB-CD2 4.14Å; D943-F1090 HydrophobicContact CB-CE1 4.1Å; D943-F1090 HydrophobicContact CB-CE2 4.24Å; D943-F1090 HydrophobicContact CB-CG 4.01Å; D943-F1090 HydrophobicContact CB-CZ 4.23Å; D943-F1090 WeakPolarHBondContact O-CB 3.27Å; K945-F1090 HydrophobicContact CG-CB 4.31Å; K945-F1090 PolarHBondContact N-O 3.26Å; N960-F1090 VanDerWaalsContact O-CA 3.27Å; N960-F1090 WeakPolarHBondContact O-CA 3.35Å; N960-F1090 PolarHBondContact O-N 2.97Å; E961-F1090 PolarHBondContact O-N 2.81Å; M1088-F1090 PolarHBondContact O-N 2.95Å; F1090-F1131 HydrophobicContact CD2-CD1 4.22Å; F1090-F1131 HydrophobicContact CE2-CB 4.05Å; F1090-F1131 AromaticContact CE2-CD1 3.43Å; F1090-F1131 HydrophobicContact CE2-CD1 3.43Å; F1090-F1131 VanDerWaalsContact CE2-CD1 3.43Å; F1090-F1131 HydrophobicContact CE2-CD2 4.05Å; F1090-F1131 AromaticContact CE2-CE1 3.8Å; F1090-F1131 HydrophobicContact CE2-CE1 3.8Å; F1090-F1131 HydrophobicContact CE2-CE2 4.37Å; F1090-F1131 AromaticContact CE2-CG 3.59Å; F1090-F1131 HydrophobicContact CE2-CG 3.59Å; F1090-F1131 HydrophobicContact CE2-CZ 4.26Å; F1090-F1131 HydrophobicContact CZ-CD1 4.02Å; F1090-F1131 HydrophobicContact CZ-CD2 4.36Å; F1090-F1131 AromaticContact CZ-CE1 3.9Å; F1090-F1131 HydrophobicContact CZ-CE1 3.9Å; F1090-F1131 HydrophobicContact CZ-CE2 4.25Å; F1090-F1131 HydrophobicContact CZ-CG 4.27Å; F1090-F1131 HydrophobicContact CZ-CZ 4.02Å |
| 1091 | N | 85.8 | Confident | 81.9 | Confident | 32 Ų | 32 | 47.8 Ų | 47.8 | 17% | 0.171 | 24% | 0.24 | C | C | . | . | trans | -122.9 | 105.8 | -172 | -172 | 7.4 | 0 | 0 | 0 | 110.8 | S963 N1087 M1088 F1089 T1093 P1094 | S963-N1091 WeakPolarHBondContact CB-O 3.29Å; S963-N1091 PolarHBondContact OG-O 3.04Å; N1087-N1091 PolarHBondContact O-ND2 3.5Å; M1088-N1091 PolarHBondContact O-N 3.32Å; F1089-N1091 PolarHBondContact O-N 2.95Å; F1089-N1091 VanDerWaalsContact O-N 3.08Å; N1091-T1093 VanDerWaalsContact C-N 3.27Å; N1091-T1093 WeakPolarHBondContact OD1-CB 3.43Å; N1091-T1093 PolarHBondContact OD1-N 2.91Å; N1091-T1093 VanDerWaalsContact OD1-N 3.07Å; N1091-T1093 PolarHBondContact OD1-OG1 3.45Å; N1091-P1094 WeakPolarHBondContact O-CD 3.48Å | ||
| 1092 | I | 85.4 | Confident | 81.7 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -76.4 | -16.9 | 175.4 | 76.7 | -168.3 | 0 | 0 | 0 | 112.4 | S946 K950 F952 M966 P1094 L1095 Q1096 | S946-I1092 WeakPolarHBondContact OG-CD1 3.08Å; S946-I1092 WeakPolarHBondContact OG-CG1 2.94Å; K950-I1092 HydrophobicContact CB-CD1 3.53Å; K950-I1092 WeakPolarHBondContact O-CD1 3.3Å; F952-I1092 HydrophobicContact CD2-CG2 4.14Å; F952-I1092 HydrophobicContact CE2-CB 4.3Å; F952-I1092 HydrophobicContact CE2-CG2 4.04Å; M966-I1092 HydrophobicContact CE-CG2 3.87Å; M966-I1092 HydrophobicContact SD-CB 4.44Å; M966-I1092 HydrophobicContact SD-CG2 4.11Å; I1092-P1094 VanDerWaalsContact C-CD 3.48Å; I1092-L1095 WeakPolarHBondContact O-CB 3.29Å; I1092-L1095 PolarHBondContact O-N 3.27Å; I1092-Q1096 VanDerWaalsContact CD1-NE2 3.29Å; I1092-Q1096 HydrophobicContact CG1-CG 4.46Å | ||
| 1093 | T | 83.5 | Confident | 81.7 | Confident | 35 Ų | 35 | 39.9 Ų | 39.9 | 22% | 0.215 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.3 | -39.6 | -167.6 | -45.4 | 0 | 0 | 0 | 0 | 113.5 | N1091 L1095 Q1096 E1097 | N1091-T1093 VanDerWaalsContact C-N 3.27Å; N1091-T1093 WeakPolarHBondContact OD1-CB 3.43Å; N1091-T1093 PolarHBondContact OD1-N 2.91Å; N1091-T1093 VanDerWaalsContact OD1-N 3.07Å; N1091-T1093 PolarHBondContact OD1-OG1 3.45Å; T1093-L1095 PolarHBondContact O-N 3.33Å; T1093-Q1096 PolarHBondContact O-N 2.9Å; T1093-E1097 HydrophobicContact CG2-CB 4.18Å; T1093-E1097 HydrophobicContact CG2-CG 3.5Å; T1093-E1097 VanDerWaalsContact CG2-CG 3.5Å; T1093-E1097 WeakPolarHBondContact CG2-OE2 3.37Å; T1093-E1097 PolarHBondContact O-N 3.02Å |
| 1094 | P | 85.1 | Confident | 81.6 | Confident | 7 Ų | 7 | 38.8 Ų | 38.8 | 5% | 0.045 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.1 | -16.7 | 172.2 | -29.3 | 38.7 | 0 | 0 | 0 | 116.2 | I1083 N1091 I1092 Y1098 I1106 | I1083-P1094 HydrophobicContact CD1-CB 3.7Å; I1083-P1094 HydrophobicContact CD1-CG 3.85Å; N1091-P1094 WeakPolarHBondContact O-CD 3.48Å; I1092-P1094 VanDerWaalsContact C-CD 3.48Å; P1094-Y1098 WeakPolarHBondContact O-CD2 3.3Å; P1094-I1106 HydrophobicContact CB-CD1 4.07Å |
| 1095 | L | 85.5 | Confident | 81.5 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -91.7 | -24.2 | 174 | -58.5 | 165.8 | 0 | 0 | 0 | 112.4 | F928 F952 M966 V967 I970 I1092 T1093 V1103 I1106 | F928-L1095 WeakPolarHBondContact CD1-O 3.5Å; F928-L1095 HydrophobicContact CE1-CB 3.95Å; F928-L1095 WeakPolarHBondContact CE1-O 3.46Å; F952-L1095 HydrophobicContact CE2-CD1 3.85Å; F952-L1095 HydrophobicContact CZ-CD1 4.31Å; M966-L1095 HydrophobicContact CB-CD1 3.74Å; M966-L1095 HydrophobicContact CG-CD1 4.2Å; M966-L1095 HydrophobicContact SD-CD1 3.37Å; M966-L1095 WeakPolarHBondContact SD-CD1 3.42Å; V967-L1095 HydrophobicContact CG2-CD2 4.25Å; I970-L1095 HydrophobicContact CD1-CD1 4.35Å; I1092-L1095 WeakPolarHBondContact O-CB 3.29Å; I1092-L1095 PolarHBondContact O-N 3.27Å; T1093-L1095 PolarHBondContact O-N 3.33Å; L1095-V1103 HydrophobicContact CB-CG2 4.22Å; L1095-V1103 HydrophobicContact CD2-CB 4.15Å; L1095-V1103 HydrophobicContact CD2-CG1 4.23Å; L1095-V1103 HydrophobicContact CD2-CG2 3.93Å; L1095-I1106 HydrophobicContact CD2-CD1 3.78Å; L1095-I1106 HydrophobicContact CG-CD1 4.44Å |
| 1096 | Q | 77 | Confident | 81.4 | Confident | 57 Ų | 57 | 34.6 Ų | 34.6 | 27% | 0.266 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -101.4 | -50 | -173 | -66.4 | -172.1 | -1.7 | 0 | 0 | 113.9 | F928 I1092 T1093 Y1098 N1099 | F928-Q1096 HydrophobicContact CE1-CG 3.81Å; F928-Q1096 HydrophobicContact CZ-CG 4.17Å; I1092-Q1096 VanDerWaalsContact CD1-NE2 3.29Å; I1092-Q1096 HydrophobicContact CG1-CG 4.46Å; T1093-Q1096 PolarHBondContact O-N 2.9Å; Q1096-Y1098 CarbonylContact O-C 3.57Å; Q1096-Y1098 PolarHBondContact O-N 2.91Å; Q1096-N1099 PolarHBondContact O-N 2.86Å |
| 1097 | E | 67.6 | Low | 81.4 | Confident | 141 Ų | 141 | 32.3 Ų | 32.3 | 66% | 0.659 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -56.5 | -37.5 | -174.5 | -98.9 | 177.5 | 170.2 | 0 | 0 | 112.6 | T1093 N1099 | T1093-E1097 HydrophobicContact CG2-CB 4.18Å; T1093-E1097 HydrophobicContact CG2-CG 3.5Å; T1093-E1097 VanDerWaalsContact CG2-CG 3.5Å; T1093-E1097 WeakPolarHBondContact CG2-OE2 3.37Å; T1093-E1097 PolarHBondContact O-N 3.02Å; E1097-N1099 PolarHBondContact O-N 2.91Å; E1097-N1099 PolarHBondContact O-ND2 3.17Å |
| 1098 | Y | 57.6 | Low | 81.4 | Confident | 55 Ų | 55 | 28 Ų | 28 | 22% | 0.216 | 15% | 0.149 | C | C | . | . | trans | -71 | 76.5 | 167 | -63.1 | -81.2 | 0 | 0 | 0 | 110.1 | L1071 V1080 D1081 P1094 Q1096 S1100 G1101 G1102 L1105 | L1071-Y1098 HydrophobicContact CD1-CD2 4.13Å; L1071-Y1098 HydrophobicContact CD1-CE1 4.05Å; L1071-Y1098 HydrophobicContact CD1-CE2 3.44Å; L1071-Y1098 VanDerWaalsContact CD1-CE2 3.44Å; L1071-Y1098 WeakPolarHBondContact CD1-OH 3.42Å; V1080-Y1098 HydrophobicContact CG1-CE1 4.48Å; D1081-Y1098 PolarHBondContact OD2-OH 2.82Å; D1081-Y1098 VanDerWaalsContact OD2-OH 3.08Å; P1094-Y1098 WeakPolarHBondContact O-CD2 3.3Å; Q1096-Y1098 CarbonylContact O-C 3.57Å; Q1096-Y1098 PolarHBondContact O-N 2.91Å; Y1098-S1100 PolarHBondContact O-N 3.41Å; Y1098-G1101 PolarHBondContact O-N 3.07Å; Y1098-G1102 PolarHBondContact O-N 2.88Å; Y1098-G1102 VanDerWaalsContact O-N 3.13Å; Y1098-L1105 HydrophobicContact CD1-CD1 3.78Å; Y1098-L1105 HydrophobicContact CE1-CD1 4.45Å; Y1098-L1105 HydrophobicContact CG-CD1 3.94Å | ||
| 1099 | N | 52.9 | Low | 81.4 | Confident | 135 Ų | 135 | 28 Ų | 28 | 72% | 0.722 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51 | -15.6 | 164.4 | -71.7 | -69 | 0 | 0 | 0 | 112.5 | Q1096 E1097 | Q1096-N1099 PolarHBondContact O-N 2.86Å; E1097-N1099 PolarHBondContact O-N 2.91Å; E1097-N1099 PolarHBondContact O-ND2 3.17Å |
| 1100 | S | 56.6 | Low | 81.6 | Confident | 86 Ų | 86 | 28.1 Ų | 28.1 | 60% | 0.601 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | 2.4 | 171.2 | -54 | 0 | 0 | 0 | 0 | 115.3 | Y1098 R1271 | Y1098-S1100 PolarHBondContact O-N 3.41Å; S1100-R1271 PolarHBondContact O-NH1 2.94Å |
| 1101 | G | 77.5 | Confident | 81.7 | Confident | 2 Ų | 2 | 27.6 Ų | 27.6 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 103.4 | 62.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y1098 V1103 Q1104 L1105 | Y1098-G1101 PolarHBondContact O-N 3.07Å; G1101-V1103 VanDerWaalsContact C-N 3.32Å; G1101-V1103 PolarHBondContact O-N 3.39Å; G1101-Q1104 VanDerWaalsContact C-OE1 3.25Å; G1101-Q1104 PolarHBondContact O-N 3.09Å; G1101-Q1104 PolarHBondContact O-OE1 3.1Å; G1101-Q1104 VanDerWaalsContact O-OE1 3.06Å; G1101-L1105 WeakPolarHBondContact O-CG 3.39Å; G1101-L1105 PolarHBondContact O-N 2.91Å; G1101-L1105 VanDerWaalsContact O-N 3.08Å |
| 1102 | G | 86.9 | Confident | 81.7 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -53.7 | -41.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y1098 Q1104 L1105 I1106 | Y1098-G1102 PolarHBondContact O-N 2.88Å; Y1098-G1102 VanDerWaalsContact O-N 3.13Å; G1102-Q1104 VanDerWaalsContact C-N 3.33Å; G1102-Q1104 PolarHBondContact O-N 3.29Å; G1102-L1105 WeakPolarHBondContact O-CB 3.4Å; G1102-L1105 PolarHBondContact O-N 3.38Å; G1102-I1106 PolarHBondContact O-N 2.84Å |
| 1103 | V | 89.7 | Confident | 81.8 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.7 | -43.1 | 178.2 | -162.3 | 0 | 0 | 0 | 0 | 111.9 | F928 I931 V967 I970 L1095 G1101 A1107 M1269 | F928-V1103 HydrophobicContact CB-CG2 4.01Å; F928-V1103 HydrophobicContact CD1-CG2 3.53Å; F928-V1103 HydrophobicContact CE1-CG2 4.22Å; F928-V1103 HydrophobicContact CG-CG2 3.74Å; I931-V1103 HydrophobicContact CD1-CB 3.62Å; I931-V1103 HydrophobicContact CD1-CG1 3.55Å; I931-V1103 HydrophobicContact CD1-CG2 4.02Å; V967-V1103 HydrophobicContact CG1-CG1 4.42Å; V967-V1103 HydrophobicContact CG2-CG1 4.23Å; I970-V1103 HydrophobicContact CD1-CG1 3.96Å; I970-V1103 HydrophobicContact CD1-CG2 4.3Å; I970-V1103 HydrophobicContact CG2-CG1 4.35Å; L1095-V1103 HydrophobicContact CB-CG2 4.22Å; L1095-V1103 HydrophobicContact CD2-CB 4.15Å; L1095-V1103 HydrophobicContact CD2-CG1 4.23Å; L1095-V1103 HydrophobicContact CD2-CG2 3.93Å; G1101-V1103 VanDerWaalsContact C-N 3.32Å; G1101-V1103 PolarHBondContact O-N 3.39Å; V1103-A1107 WeakPolarHBondContact O-CB 3.18Å; V1103-A1107 PolarHBondContact O-N 3.17Å; V1103-M1269 HydrophobicContact CG1-CE 3.89Å |
| 1104 | Q | 89.3 | Confident | 82.1 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -75.9 | -30.1 | 179.4 | -54.8 | 95.3 | -29.1 | 0 | 0 | 112.2 | P929 G930 P1074 G1101 G1102 A1108 M1269 R1271 | P929-Q1104 PolarHBondContact O-NE2 3.24Å; G930-Q1104 VanDerWaalsContact C-NE2 3.28Å; G930-Q1104 PolarHBondContact O-NE2 3.07Å; P1074-Q1104 HydrophobicContact CG-CB 3.85Å; G1101-Q1104 VanDerWaalsContact C-OE1 3.25Å; G1101-Q1104 PolarHBondContact O-N 3.09Å; G1101-Q1104 PolarHBondContact O-OE1 3.1Å; G1101-Q1104 VanDerWaalsContact O-OE1 3.06Å; G1102-Q1104 VanDerWaalsContact C-N 3.33Å; G1102-Q1104 PolarHBondContact O-N 3.29Å; Q1104-A1108 VanDerWaalsContact O-CB 3.3Å; Q1104-A1108 WeakPolarHBondContact O-CB 3.44Å; Q1104-A1108 PolarHBondContact O-N 2.91Å; Q1104-M1269 HydrophobicContact CB-SD 4.43Å; Q1104-M1269 HydrophobicContact CG-CB 4.06Å; Q1104-M1269 HydrophobicContact CG-CG 4.11Å; Q1104-M1269 HydrophobicContact CG-SD 3.98Å; Q1104-R1271 HydrophobicContact CG-CB 4.4Å |
| 1105 | L | 90.4 | Very high | 82.5 | Confident | 8 Ų | 8 | 28.7 Ų | 28.7 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63 | -47.1 | 172.3 | -71.8 | 172.4 | 0 | 0 | 0 | 111.8 | L1071 I1072 V1080 Y1098 G1101 G1102 G1109 | L1071-L1105 HydrophobicContact CB-CB 4.22Å; L1071-L1105 HydrophobicContact CD2-CB 4.34Å; I1072-L1105 PolarHBondContact N-O 3.25Å; I1072-L1105 WeakPolarHBondContact O-CD2 3.26Å; V1080-L1105 HydrophobicContact CB-CD2 4.38Å; V1080-L1105 HydrophobicContact CG2-CD2 3.83Å; Y1098-L1105 HydrophobicContact CD1-CD1 3.78Å; Y1098-L1105 HydrophobicContact CE1-CD1 4.45Å; Y1098-L1105 HydrophobicContact CG-CD1 3.94Å; G1101-L1105 WeakPolarHBondContact O-CG 3.39Å; G1101-L1105 PolarHBondContact O-N 2.91Å; G1101-L1105 VanDerWaalsContact O-N 3.08Å; G1102-L1105 WeakPolarHBondContact O-CB 3.4Å; G1102-L1105 PolarHBondContact O-N 3.38Å; L1105-G1109 PolarHBondContact O-N 2.8Å |
| 1106 | I | 91.7 | Very high | 82.9 | Confident | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.8 | -44 | 175.5 | -67.1 | 175.2 | 0 | 0 | 0 | 110.3 | V967 L1071 M1088 P1094 L1095 G1102 A1108 G1109 L1110 | V967-I1106 HydrophobicContact CG2-CB 4.22Å; V967-I1106 HydrophobicContact CG2-CG2 3.76Å; L1071-I1106 HydrophobicContact CD2-CB 4.35Å; L1071-I1106 HydrophobicContact CD2-CD1 4.33Å; L1071-I1106 HydrophobicContact CD2-CG1 3.33Å; M1088-I1106 HydrophobicContact CE-CD1 4.3Å; P1094-I1106 HydrophobicContact CB-CD1 4.07Å; L1095-I1106 HydrophobicContact CD2-CD1 3.78Å; L1095-I1106 HydrophobicContact CG-CD1 4.44Å; G1102-I1106 PolarHBondContact O-N 2.84Å; I1106-A1108 PolarHBondContact O-N 3.04Å; I1106-G1109 CarbonylContact O-C 3.34Å; I1106-G1109 WeakPolarHBondContact O-CA 3.33Å; I1106-G1109 PolarHBondContact O-N 2.9Å; I1106-G1109 VanDerWaalsContact O-N 3.16Å; I1106-L1110 HydrophobicContact CG2-CD1 3.99Å; I1106-L1110 HydrophobicContact CG2-CG 4.2Å; I1106-L1110 WeakPolarHBondContact O-CG 3.45Å; I1106-L1110 PolarHBondContact O-N 3.12Å |
| 1107 | A | 91.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.1 | -47.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V967 V1103 G1109 L1110 L1111 M1269 | V967-A1107 HydrophobicContact CG1-CB 3.92Å; V1103-A1107 WeakPolarHBondContact O-CB 3.18Å; V1103-A1107 PolarHBondContact O-N 3.17Å; A1107-G1109 VanDerWaalsContact C-N 3.29Å; A1107-G1109 PolarHBondContact O-N 3.24Å; A1107-L1110 PolarHBondContact O-N 3.04Å; A1107-L1111 WeakPolarHBondContact O-CB 3.34Å; A1107-L1111 WeakPolarHBondContact O-CD1 3.26Å; A1107-L1111 WeakPolarHBondContact O-CG 3.25Å; A1107-L1111 PolarHBondContact O-N 2.92Å; A1107-M1269 HydrophobicContact CB-CE 3.74Å; A1107-M1269 HydrophobicContact CB-SD 3.71Å |
| 1108 | A | 89.8 | Confident | 84.9 | Confident | 5 Ų | 5 | 21 Ų | 21 | 4% | 0.041 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.4 | -36.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1072 P1074 Q1104 I1106 R1112 | I1072-A1108 HydrophobicContact CB-CB 4.41Å; I1072-A1108 VanDerWaalsContact O-CB 3.3Å; I1072-A1108 WeakPolarHBondContact O-CB 3.4Å; P1074-A1108 HydrophobicContact CB-CB 4.44Å; P1074-A1108 HydrophobicContact CG-CB 4.23Å; Q1104-A1108 VanDerWaalsContact O-CB 3.3Å; Q1104-A1108 WeakPolarHBondContact O-CB 3.44Å; Q1104-A1108 PolarHBondContact O-N 2.91Å; I1106-A1108 PolarHBondContact O-N 3.04Å; A1108-R1112 WeakPolarHBondContact O-CB 3.41Å; A1108-R1112 WeakPolarHBondContact O-CG 3.32Å; A1108-R1112 PolarHBondContact O-N 2.77Å; A1108-R1112 VanDerWaalsContact O-N 3.17Å |
| 1109 | G | 90.9 | Very high | 86.6 | Confident | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.01 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -56.1 | -56.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1070 L1105 I1106 A1107 L1111 R1112 S1113 | L1070-G1109 WeakPolarHBondContact O-CA 3.42Å; L1105-G1109 PolarHBondContact O-N 2.8Å; I1106-G1109 CarbonylContact O-C 3.34Å; I1106-G1109 WeakPolarHBondContact O-CA 3.33Å; I1106-G1109 PolarHBondContact O-N 2.9Å; I1106-G1109 VanDerWaalsContact O-N 3.16Å; A1107-G1109 VanDerWaalsContact C-N 3.29Å; A1107-G1109 PolarHBondContact O-N 3.24Å; G1109-L1111 VanDerWaalsContact C-N 3.28Å; G1109-L1111 PolarHBondContact O-N 3.41Å; G1109-R1112 PolarHBondContact O-N 3.19Å; G1109-S1113 VanDerWaalsContact O-CB 3.31Å; G1109-S1113 WeakPolarHBondContact O-CB 3.39Å; G1109-S1113 PolarHBondContact O-N 3.11Å; G1109-S1113 PolarHBondContact O-OG 3.21Å |
| 1110 | L | 92.1 | Very high | 88.5 | Confident | 4 Ų | 4 | 14.8 Ų | 14.8 | 2% | 0.021 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61.8 | -32.5 | 179.3 | -70.2 | 176.2 | 0 | 0 | 0 | 113.2 | H807 F808 M811 F1069 I1106 A1107 | H807-L1110 HydrophobicContact CB-CD2 4.01Å; H807-L1110 PolarHBondContact N-O 3.35Å; H807-L1110 WeakPolarHBondContact ND1-CD2 3.47Å; F808-L1110 HydrophobicContact CB-CB 4.21Å; F808-L1110 HydrophobicContact CD2-CB 3.78Å; F808-L1110 HydrophobicContact CD2-CD1 4.26Å; F808-L1110 HydrophobicContact CG-CB 4.45Å; F808-L1110 PolarHBondContact N-O 2.91Å; M811-L1110 HydrophobicContact CB-CD1 4.4Å; M811-L1110 HydrophobicContact CG-CD1 3.87Å; M811-L1110 HydrophobicContact CG-CD2 3.8Å; M811-L1110 HydrophobicContact CG-CG 4.46Å; M811-L1110 HydrophobicContact SD-CD1 4.29Å; F1069-L1110 HydrophobicContact CD1-CD2 3.92Å; F1069-L1110 HydrophobicContact CE1-CD2 3.88Å; I1106-L1110 HydrophobicContact CG2-CD1 3.99Å; I1106-L1110 HydrophobicContact CG2-CG 4.2Å; I1106-L1110 WeakPolarHBondContact O-CG 3.45Å; I1106-L1110 PolarHBondContact O-N 3.12Å; A1107-L1110 PolarHBondContact O-N 3.04Å |
| 1111 | L | 89.6 | Confident | 90.4 | Very high | 5 Ų | 5 | 12.5 Ų | 12.5 | 3% | 0.026 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -74.9 | -27 | 177.7 | -73.9 | 167.8 | 0 | 0 | 0 | 113.7 | S806 F808 A1107 G1109 I1265 I1275 Q1276 T1279 | S806-L1111 WeakPolarHBondContact CB-O 3.44Å; F808-L1111 HydrophobicContact CB-CD2 4.41Å; F808-L1111 HydrophobicContact CD2-CD2 4.22Å; F808-L1111 HydrophobicContact CD2-CG 4.26Å; F808-L1111 HydrophobicContact CG-CD2 4.34Å; A1107-L1111 WeakPolarHBondContact O-CB 3.34Å; A1107-L1111 WeakPolarHBondContact O-CD1 3.26Å; A1107-L1111 WeakPolarHBondContact O-CG 3.25Å; A1107-L1111 PolarHBondContact O-N 2.92Å; G1109-L1111 VanDerWaalsContact C-N 3.28Å; G1109-L1111 PolarHBondContact O-N 3.41Å; L1111-I1265 HydrophobicContact CD1-CD1 4.21Å; L1111-I1265 HydrophobicContact CD2-CD1 4.2Å; L1111-I1275 HydrophobicContact CD1-CD1 3.64Å; L1111-I1275 HydrophobicContact CD1-CG1 4.18Å; L1111-I1275 HydrophobicContact CD2-CD1 4.26Å; L1111-Q1276 PolarHBondContact O-NE2 3Å; L1111-T1279 HydrophobicContact CD2-CG2 3.73Å |
| 1112 | R | 85.7 | Confident | 91.2 | Very high | 62 Ų | 62 | 12.6 Ų | 12.6 | 23% | 0.234 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -111.9 | -23.3 | -171.1 | -66.4 | 172.7 | -177.3 | -95.4 | -2.5 | 113.9 | I1072 H1077 A1108 G1109 L1282 | I1072-R1112 HydrophobicContact CD1-CB 3.99Å; H1077-R1112 PolarHBondContact CD2-NH1 2.86Å; H1077-R1112 VanDerWaalsContact CD2-NH1 3.3Å; H1077-R1112 PolarHBondContact CD2-NH2 3.49Å; H1077-R1112 PolarHBondContact NE2-NH2 3.02Å; A1108-R1112 WeakPolarHBondContact O-CB 3.41Å; A1108-R1112 WeakPolarHBondContact O-CG 3.32Å; A1108-R1112 PolarHBondContact O-N 2.77Å; A1108-R1112 VanDerWaalsContact O-N 3.17Å; G1109-R1112 PolarHBondContact O-N 3.19Å; R1112-L1282 WeakPolarHBondContact O-CD2 3.38Å |
| 1113 | S | 87.7 | Confident | 91.6 | Very high | 3 Ų | 3 | 12.8 Ų | 12.8 | 2% | 0.021 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -76.1 | 139.3 | 169.7 | 57 | 0 | 0 | 0 | 0 | 111.1 | S806 H807 G1109 | S806-S1113 CarbonylContact C-O 2.89Å; S806-S1113 VanDerWaalsContact CA-O 3.28Å; S806-S1113 WeakPolarHBondContact CA-O 3.06Å; H807-S1113 WeakPolarHBondContact CB-OG 3.45Å; H807-S1113 PolarHBondContact N-O 2.91Å; G1109-S1113 VanDerWaalsContact O-CB 3.31Å; G1109-S1113 WeakPolarHBondContact O-CB 3.39Å; G1109-S1113 PolarHBondContact O-N 3.11Å; G1109-S1113 PolarHBondContact O-OG 3.21Å |
| 1114 | P | 90.1 | Very high | 91.8 | Very high | 32 Ų | 32 | 15.9 Ų | 15.9 | 21% | 0.208 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 143.9 | 169 | 27.4 | -32.6 | 0 | 0 | 0 | 111.3 | I801 H802 Y805 R1066 L1282 | I801-P1114 HydrophobicContact CG2-CB 3.47Å; I801-P1114 VanDerWaalsContact CG2-CB 3.47Å; I801-P1114 HydrophobicContact CG2-CG 3.25Å; H802-P1114 WeakPolarHBondContact O-CB 3.35Å; Y805-P1114 WeakPolarHBondContact O-CA 3.36Å; R1066-P1114 WeakPolarHBondContact CD-O 3.45Å; R1066-P1114 PolarHBondContact NH1-O 3.41Å; R1066-P1114 VanDerWaalsContact NH1-O 3.1Å; P1114-L1282 HydrophobicContact CB-CD1 3.81Å |
| 1115 | S | 92.2 | Very high | 92 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 167.1 | 164.6 | 71.8 | 0 | 0 | 0 | 0 | 110.9 | H802 Y805 | H802-S1115 WeakPolarHBondContact CB-O 3.32Å; H802-S1115 WeakPolarHBondContact CB-OG 3.46Å; H802-S1115 PolarHBondContact N-O 3.26Å; Y805-S1115 PolarHBondContact O-N 3.34Å |
| 1116 | M | 94.1 | Very high | 92.2 | Very high | 13 Ų | 13 | 15.8 Ų | 15.8 | 6% | 0.064 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 162 | 159 | -54.9 | -52.3 | -71.4 | 0 | 0 | 109.8 | N799 V800 I801 H802 T1063 L1064 I1065 R1066 | N799-M1116 WeakPolarHBondContact OD1-CE 3.4Å; V800-M1116 WeakPolarHBondContact O-CA 3.35Å; V800-M1116 WeakPolarHBondContact O-CE 3.47Å; I801-M1116 HydrophobicContact CG1-SD 4.47Å; H802-M1116 WeakPolarHBondContact CB-O 3.01Å; T1063-M1116 WeakPolarHBondContact O-CB 3.47Å; L1064-M1116 PolarHBondContact O-N 3.25Å; I1065-M1116 VanDerWaalsContact C-CG 3.46Å; I1065-M1116 WeakPolarHBondContact O-CG 3.46Å; R1066-M1116 HydrophobicContact CB-SD 4.43Å; R1066-M1116 HydrophobicContact CG-CG 4.21Å; R1066-M1116 HydrophobicContact CG-SD 4.02Å |
| 1117 | A | 92.2 | Very high | 92.3 | Very high | 12 Ų | 12 | 15.9 Ų | 15.9 | 10% | 0.099 | 8% | 0.077 | C | C | . | . | P | Polyproline II helix | trans | -63.2 | 163.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V800 T1063 | V800-A1117 HydrophobicContact CB-CB 4.16Å; V800-A1117 HydrophobicContact CG1-CB 3.69Å; V800-A1117 PolarHBondContact O-N 3.34Å; T1063-A1117 PolarHBondContact OG1-O 3.24Å |
| 1118 | F | 94.4 | Very high | 92.5 | Very high | 13 Ų | 13 | 16.5 Ų | 16.5 | 6% | 0.057 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -88.2 | 109.1 | 160.4 | 169.6 | -94.5 | 0 | 0 | 0 | 106.9 | F1060 T1063 L1064 I1206 E1208 S1210 L1215 V1216 L1220 | F1060-F1118 HydrophobicContact CB-CD2 4.47Å; F1060-F1118 HydrophobicContact CB-CE2 4.06Å; F1060-F1118 HydrophobicContact CD2-CD2 4.22Å; F1060-F1118 HydrophobicContact CD2-CE2 4.46Å; T1063-F1118 HydrophobicContact CG2-CD2 3.8Å; T1063-F1118 HydrophobicContact CG2-CE2 4.38Å; L1064-F1118 HydrophobicContact CD2-CB 3.98Å; F1118-I1206 HydrophobicContact CE2-CB 4.29Å; F1118-I1206 HydrophobicContact CE2-CG2 4.07Å; F1118-I1206 HydrophobicContact CZ-CB 4.47Å; F1118-E1208 WeakPolarHBondContact CE1-O 3.25Å; F1118-S1210 WeakPolarHBondContact CD1-OG 3.27Å; F1118-L1215 HydrophobicContact CB-CD1 3.6Å; F1118-L1215 HydrophobicContact CB-CG 3.85Å; F1118-L1215 WeakPolarHBondContact CD1-O 3.41Å; F1118-L1215 HydrophobicContact CG-CG 4.47Å; F1118-L1215 VanDerWaalsContact CG-O 3.29Å; F1118-L1215 WeakPolarHBondContact CG-O 3.43Å; F1118-V1216 HydrophobicContact CE2-CG1 4.28Å; F1118-V1216 HydrophobicContact CZ-CB 4.46Å; F1118-L1220 HydrophobicContact CE2-CD2 3.47Å; F1118-L1220 VanDerWaalsContact CE2-CD2 3.47Å; F1118-L1220 HydrophobicContact CZ-CD2 3.54Å |
| 1119 | D | 92.5 | Very high | 92.6 | Very high | 32 Ų | 32 | 17.3 Ų | 17.3 | 17% | 0.171 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -157.8 | -169.9 | 172.3 | 59.3 | 44.2 | 0 | 0 | 0 | 110 | V800 T1063 Y1121 I1206 | V800-D1119 WeakPolarHBondContact CB-OD2 3.23Å; T1063-D1119 VanDerWaalsContact CB-O 3.3Å; T1063-D1119 WeakPolarHBondContact CB-O 3.28Å; T1063-D1119 PolarHBondContact OG1-N 3Å; T1063-D1119 VanDerWaalsContact OG1-N 3.15Å; T1063-D1119 PolarHBondContact OG1-O 3.48Å; D1119-Y1121 VanDerWaalsContact C-N 3.28Å; D1119-Y1121 HydrophobicContact CB-CD2 4.37Å; D1119-Y1121 VanDerWaalsContact CG-CD2 3.45Å; D1119-Y1121 PolarHBondContact O-N 2.88Å; D1119-Y1121 WeakPolarHBondContact OD1-CA 3.35Å; D1119-Y1121 VanDerWaalsContact OD1-CB 3.29Å; D1119-Y1121 WeakPolarHBondContact OD1-CB 3.18Å; D1119-Y1121 WeakPolarHBondContact OD1-CD2 3.38Å; D1119-Y1121 PolarHBondContact OD1-N 3.41Å; D1119-I1206 CarbonylContact C-O 3.27Å; D1119-I1206 VanDerWaalsContact C-O 3.27Å |
| 1120 | R | 94 | Very high | 92.7 | Very high | 27 Ų | 27 | 17.5 Ų | 17.5 | 10% | 0.102 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -73.3 | -11.8 | 179.5 | 62.4 | -177 | -87.9 | -157 | 1.3 | 114.1 | V793 M794 H795 D1184 A1185 I1206 | V793-R1120 PolarHBondContact O-NH2 3.41Å; M794-R1120 PolarHBondContact O-NE 2.89Å; M794-R1120 PolarHBondContact O-NH2 2.91Å; H795-R1120 VanDerWaalsContact CA-O 3.27Å; H795-R1120 WeakPolarHBondContact CA-O 3.31Å; H795-R1120 WeakPolarHBondContact CB-O 3.48Å; H795-R1120 PolarHBondContact ND1-O 3.24Å; R1120-D1184 PolarHBondContact NH1-O 3.38Å; R1120-A1185 VanDerWaalsContact NH1-CA 3.31Å; R1120-I1206 PolarHBondContact N-O 2.92Å |
| 1121 | Y | 95.4 | Very high | 92.5 | Very high | 38 Ų | 38 | 19.5 Ų | 19.5 | 15% | 0.149 | 9% | 0.092 | C | C | . | . | trans | -87.7 | 142.9 | -172.3 | -49.2 | -60.1 | 0 | 0 | 0 | 111.5 | P796 K798 V800 T1063 D1119 | P796-Y1121 HydrophobicContact CG-CD1 4.18Å; P796-Y1121 HydrophobicContact CG-CE1 4.34Å; P796-Y1121 WeakPolarHBondContact O-CB 3.49Å; P796-Y1121 VanDerWaalsContact O-CD1 3.25Å; P796-Y1121 WeakPolarHBondContact O-CD1 3.36Å; K798-Y1121 HydrophobicContact CB-CD1 4.34Å; K798-Y1121 HydrophobicContact CB-CD2 4.04Å; K798-Y1121 HydrophobicContact CB-CG 3.93Å; K798-Y1121 HydrophobicContact CD-CD1 3.94Å; K798-Y1121 HydrophobicContact CD-CD2 4.1Å; K798-Y1121 HydrophobicContact CD-CE1 3.63Å; K798-Y1121 HydrophobicContact CD-CE2 3.84Å; K798-Y1121 HydrophobicContact CD-CG 4.17Å; K798-Y1121 VanDerWaalsContact CE-CE1 3.47Å; K798-Y1121 HydrophobicContact CG-CD1 3.97Å; K798-Y1121 HydrophobicContact CG-CD2 4.37Å; K798-Y1121 HydrophobicContact CG-CE1 4.18Å; K798-Y1121 HydrophobicContact CG-CG 4.08Å; K798-Y1121 PolarHBondContact NZ-OH 2.89Å; V800-Y1121 HydrophobicContact CG2-CD2 3.9Å; V800-Y1121 HydrophobicContact CG2-CE2 4.32Å; T1063-Y1121 PolarHBondContact OG1-O 3.24Å; D1119-Y1121 VanDerWaalsContact C-N 3.28Å; D1119-Y1121 HydrophobicContact CB-CD2 4.37Å; D1119-Y1121 VanDerWaalsContact CG-CD2 3.45Å; D1119-Y1121 PolarHBondContact O-N 2.88Å; D1119-Y1121 WeakPolarHBondContact OD1-CA 3.35Å; D1119-Y1121 VanDerWaalsContact OD1-CB 3.29Å; D1119-Y1121 WeakPolarHBondContact OD1-CB 3.18Å; D1119-Y1121 WeakPolarHBondContact OD1-CD2 3.38Å; D1119-Y1121 PolarHBondContact OD1-N 3.41Å | ||
| 1122 | I | 95.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 20.6 Ų | 20.6 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | trans | -135.7 | 140.2 | -179.5 | -64.3 | 174.3 | 0 | 0 | 0 | 108.4 | H795 S797 L1126 R1127 P1144 F1202 I1206 | H795-I1122 HydrophobicContact CB-CD1 4.33Å; H795-I1122 HydrophobicContact CB-CG1 4.48Å; S797-I1122 WeakPolarHBondContact CA-O 3.49Å; S797-I1122 WeakPolarHBondContact CB-O 3.46Å; I1122-L1126 HydrophobicContact CG2-CB 3.85Å; I1122-L1126 HydrophobicContact CG2-CD1 4.11Å; I1122-R1127 HydrophobicContact CB-CG 4.38Å; I1122-R1127 HydrophobicContact CG2-CG 4.17Å; I1122-R1127 WeakPolarHBondContact O-CD 3.38Å; I1122-P1144 HydrophobicContact CB-CG 4.42Å; I1122-P1144 HydrophobicContact CD1-CB 3.93Å; I1122-P1144 HydrophobicContact CD1-CG 3.77Å; I1122-P1144 HydrophobicContact CG2-CG 4.25Å; I1122-F1202 HydrophobicContact CD1-CE1 4.41Å; I1122-F1202 HydrophobicContact CD1-CZ 4.29Å; I1122-I1206 HydrophobicContact CD1-CD1 4.13Å | ||
| 1123 | N | 94.3 | Very high | 92 | Very high | 6 Ų | 6 | 20.1 Ų | 20.1 | 3% | 0.032 | 10% | 0.097 | C | C | . | . | trans | -66.1 | 159.1 | -173.8 | 74.3 | 62.2 | 0 | 0 | 0 | 113.6 | I1065 E1067 D1125 L1126 R1127 | I1065-N1123 PolarHBondContact O-ND2 3.48Å; E1067-N1123 HydrophobicContact CB-CB 3.89Å; E1067-N1123 HydrophobicContact CG-CB 3.73Å; E1067-N1123 WeakPolarHBondContact OE1-CA 3.42Å; E1067-N1123 VanDerWaalsContact OE1-CB 3.23Å; E1067-N1123 WeakPolarHBondContact OE1-CB 3.19Å; N1123-D1125 VanDerWaalsContact C-N 3.35Å; N1123-D1125 PolarHBondContact O-N 3.34Å; N1123-D1125 WeakPolarHBondContact OD1-CA 3.3Å; N1123-D1125 WeakPolarHBondContact OD1-CB 3.36Å; N1123-D1125 PolarHBondContact OD1-N 2.94Å; N1123-L1126 WeakPolarHBondContact ND2-CD1 3.2Å; N1123-L1126 PolarHBondContact O-N 3.25Å; N1123-L1126 PolarHBondContact OD1-N 3.06Å; N1123-R1127 VanDerWaalsContact O-CG 3.3Å; N1123-R1127 WeakPolarHBondContact O-CG 3.36Å; N1123-R1127 PolarHBondContact O-N 3.06Å | ||
| 1124 | Q | 93.7 | Very high | 91.5 | Very high | 65 Ų | 65 | 29.9 Ų | 29.9 | 30% | 0.304 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -70.2 | -28.4 | -176.4 | -63 | -67.2 | 21.4 | 0 | 0 | 113.8 | E1067 L1126 R1127 N1128 | E1067-Q1124 PolarHBondContact OE1-N 3.2Å; Q1124-L1126 PolarHBondContact O-N 2.81Å; Q1124-R1127 PolarHBondContact O-N 3.42Å; Q1124-R1127 VanDerWaalsContact OE1-NE 3.09Å; Q1124-N1128 PolarHBondContact O-N 2.96Å |
| 1125 | D | 94.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.8 | -23.9 | 177.7 | -80.8 | 13.9 | 0 | 0 | 0 | 112.5 | R1084 L1085 K1086 N1123 H1129 L1130 | R1084-D1125 IonicContact CZ-OD1 3.39Å; R1084-D1125 IonicContact NE-OD1 2.6Å; R1084-D1125 PolarHBondContact NE-OD1 2.82Å; R1084-D1125 IonicContact NE-OD2 2.96Å; R1084-D1125 IonicContact NH2-OD1 3.32Å; R1084-D1125 PolarHBondContact NH2-OD1 3.41Å; L1085-D1125 HydrophobicContact CB-CB 4.03Å; L1085-D1125 HydrophobicContact CD2-CB 4.34Å; L1085-D1125 HydrophobicContact CG-CB 4.39Å; L1085-D1125 PolarHBondContact N-OD2 2.91Å; K1086-D1125 HydrophobicContact CB-CB 4.17Å; K1086-D1125 WeakPolarHBondContact CB-OD2 3.36Å; K1086-D1125 WeakPolarHBondContact CG-OD2 3.36Å; K1086-D1125 PolarHBondContact N-OD2 3.03Å; N1123-D1125 VanDerWaalsContact C-N 3.35Å; N1123-D1125 PolarHBondContact O-N 3.34Å; N1123-D1125 WeakPolarHBondContact OD1-CA 3.3Å; N1123-D1125 WeakPolarHBondContact OD1-CB 3.36Å; N1123-D1125 PolarHBondContact OD1-N 2.94Å; D1125-H1129 CarbonylContact O-C 3.52Å; D1125-H1129 IonicContact OD1-CD2 2.73Å; D1125-L1130 PolarHBondContact O-N 2.93Å; D1125-L1130 VanDerWaalsContact O-N 3.13Å |
| 1126 | L | 95 | Very high | 90.6 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -93.4 | -22.5 | 171.8 | -67.4 | 176.8 | 0 | 0 | 0 | 114.4 | I1065 L1085 F1089 I1122 N1123 Q1124 L1130 L1143 | I1065-L1126 HydrophobicContact CB-CD1 3.83Å; I1065-L1126 HydrophobicContact CD1-CD1 3.89Å; I1065-L1126 HydrophobicContact CG1-CD1 4.18Å; I1065-L1126 HydrophobicContact CG2-CD1 4.1Å; L1085-L1126 HydrophobicContact CD2-CD1 4.43Å; L1085-L1126 HydrophobicContact CD2-CD2 3.84Å; L1085-L1126 HydrophobicContact CD2-CG 3.87Å; F1089-L1126 HydrophobicContact CZ-CD2 4Å; I1122-L1126 HydrophobicContact CG2-CB 3.85Å; I1122-L1126 HydrophobicContact CG2-CD1 4.11Å; N1123-L1126 WeakPolarHBondContact ND2-CD1 3.2Å; N1123-L1126 PolarHBondContact O-N 3.25Å; N1123-L1126 PolarHBondContact OD1-N 3.06Å; Q1124-L1126 PolarHBondContact O-N 2.81Å; L1126-L1130 HydrophobicContact CD2-CD1 3.91Å; L1126-L1143 HydrophobicContact CB-CB 4.39Å; L1126-L1143 HydrophobicContact CD1-CD2 4.43Å; L1126-L1143 HydrophobicContact CD2-CD2 3.86Å; L1126-L1143 WeakPolarHBondContact O-CB 3.23Å; L1126-L1143 PolarHBondContact O-N 3.47Å |
| 1127 | R | 94.1 | Very high | 90.2 | Very high | 7 Ų | 7 | 44.7 Ų | 44.7 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -90 | -32.5 | -177.2 | -73.1 | 171.8 | 51 | 65.4 | 28.8 | 114.5 | R788 A791 N792 H795 I1122 N1123 Q1124 M1141 D1142 P1144 | R788-R1127 PolarHBondContact NH1-O 3.47Å; A791-R1127 PolarHBondContact O-NH1 2.81Å; N792-R1127 PolarHBondContact OD1-NH2 2.01Å; H795-R1127 VanDerWaalsContact C-NH1 3.27Å; H795-R1127 VanDerWaalsContact O-CD 3.32Å; H795-R1127 WeakPolarHBondContact O-CD 3.3Å; H795-R1127 PolarHBondContact O-NH1 2.7Å; I1122-R1127 HydrophobicContact CB-CG 4.38Å; I1122-R1127 HydrophobicContact CG2-CG 4.17Å; I1122-R1127 WeakPolarHBondContact O-CD 3.38Å; N1123-R1127 VanDerWaalsContact O-CG 3.3Å; N1123-R1127 WeakPolarHBondContact O-CG 3.36Å; N1123-R1127 PolarHBondContact O-N 3.06Å; Q1124-R1127 PolarHBondContact O-N 3.42Å; Q1124-R1127 VanDerWaalsContact OE1-NE 3.09Å; R1127-M1141 CarbonylContact C-O 3.3Å; R1127-D1142 VanDerWaalsContact O-CA 3.26Å; R1127-D1142 WeakPolarHBondContact O-CA 3.36Å; R1127-D1142 WeakPolarHBondContact O-CB 3.2Å; R1127-P1144 HydrophobicContact CG-CG 4.2Å |
| 1128 | N | 93.9 | Very high | 90 | Very high | 12 Ų | 12 | 48 Ų | 48 | 6% | 0.064 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.1 | -24.4 | -170.9 | -71.6 | -7.5 | 0 | 0 | 0 | 112.4 | R788 Y860 Q1124 G1140 | R788-N1128 PolarHBondContact NH1-OD1 2.72Å; R788-N1128 PolarHBondContact NH2-OD1 2.82Å; Y860-N1128 WeakPolarHBondContact CB-ND2 3.32Å; Y860-N1128 HydrophobicContact CD1-CB 3.64Å; Y860-N1128 HydrophobicContact CE1-CB 3.75Å; Y860-N1128 HydrophobicContact CG-CB 4.07Å; Y860-N1128 VanDerWaalsContact CG-ND2 3.27Å; Q1124-N1128 PolarHBondContact O-N 2.96Å; N1128-G1140 CarbonylContact O-C 3.53Å; N1128-G1140 WeakPolarHBondContact O-CA 3.44Å |
| 1129 | H | 93.4 | Very high | 89.7 | Confident | 22 Ų | 22 | 48.3 Ų | 48.3 | 10% | 0.102 | 24% | 0.235 | C | C | . | . | trans | -120.2 | 19.1 | -173.3 | -48.5 | -67.6 | 0 | 0 | 0 | 113.6 | Y860 K1086 D1125 F1131 E1132 | Y860-H1129 AromaticContact CZ-CE1 3.68Å; Y860-H1129 PolarHBondContact OH-CE1 2.94Å; K1086-H1129 HydrophobicContact CB-CB 3.96Å; K1086-H1129 HydrophobicContact CD-CB 3.49Å; K1086-H1129 VanDerWaalsContact CD-CB 3.49Å; K1086-H1129 HydrophobicContact CG-CB 4.43Å; K1086-H1129 PolarHBondContact NZ-CE1 3.22Å; K1086-H1129 PolarHBondContact NZ-ND1 3.29Å; D1125-H1129 CarbonylContact O-C 3.52Å; D1125-H1129 IonicContact OD1-CD2 2.73Å; H1129-F1131 PolarHBondContact O-N 3.13Å; H1129-E1132 HydrophobicContact CB-CB 4.11Å; H1129-E1132 IonicContact CE1-OE1 2.68Å; H1129-E1132 IonicContact CG-OE1 3.92Å; H1129-E1132 IonicContact CG-OE2 3.66Å; H1129-E1132 VanDerWaalsContact ND1-CD 3.26Å; H1129-E1132 IonicContact ND1-OE1 3.33Å; H1129-E1132 PolarHBondContact ND1-OE1 2.82Å; H1129-E1132 IonicContact ND1-OE2 2.74Å; H1129-E1132 PolarHBondContact ND1-OE2 2.79Å; H1129-E1132 WeakPolarHBondContact O-CB 3.47Å; H1129-E1132 PolarHBondContact O-N 3.35Å; H1129-E1132 VanDerWaalsContact O-N 3.15Å | ||
| 1130 | L | 92.3 | Very high | 89.5 | Confident | 6 Ų | 6 | 46.9 Ų | 46.9 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -58.4 | 118.8 | 178.8 | -176.5 | 76.1 | 0 | 0 | 0 | 108.7 | F1089 D1125 L1126 E1132 G1140 M1141 L1143 L1146 | F1089-L1130 HydrophobicContact CE1-CD1 4.33Å; F1089-L1130 HydrophobicContact CE2-CD1 4.43Å; F1089-L1130 HydrophobicContact CZ-CD1 3.91Å; D1125-L1130 PolarHBondContact O-N 2.93Å; D1125-L1130 VanDerWaalsContact O-N 3.13Å; L1126-L1130 HydrophobicContact CD2-CD1 3.91Å; L1130-E1132 PolarHBondContact O-N 3.24Å; L1130-G1140 WeakPolarHBondContact O-CA 3.46Å; L1130-M1141 HydrophobicContact CB-CB 4.11Å; L1130-M1141 WeakPolarHBondContact CB-O 3.45Å; L1130-M1141 HydrophobicContact CD2-CB 4.17Å; L1130-M1141 PolarHBondContact N-O 3.24Å; L1130-M1141 PolarHBondContact O-N 3.47Å; L1130-L1143 HydrophobicContact CD1-CB 4.35Å; L1130-L1143 HydrophobicContact CD1-CD2 4.44Å; L1130-L1143 HydrophobicContact CD2-CB 3.99Å; L1130-L1143 HydrophobicContact CD2-CD1 4.2Å; L1130-L1146 HydrophobicContact CD2-CD1 3.7Å |
| 1131 | F | 87.8 | Confident | 89.4 | Confident | 46 Ų | 46 | 46.6 Ų | 46.6 | 20% | 0.202 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | 4 | -178.3 | -50.7 | -32.1 | 0 | 0 | 0 | 117.2 | F660 K945 E961 F1089 F1090 H1129 M1141 | F660-F1131 HydrophobicContact CD1-CB 4.5Å; F660-F1131 HydrophobicContact CE1-CB 3.87Å; K945-F1131 PolarHBondContact NZ-O 3.07Å; E961-F1131 HydrophobicContact CG-CE1 3.94Å; E961-F1131 HydrophobicContact CG-CZ 4.11Å; F1089-F1131 HydrophobicContact CB-CD1 4.04Å; F1089-F1131 AromaticContact CD1-CD1 3.76Å; F1089-F1131 HydrophobicContact CD1-CD1 3.76Å; F1089-F1131 AromaticContact CD1-CE1 3.76Å; F1089-F1131 HydrophobicContact CD1-CE1 3.76Å; F1089-F1131 HydrophobicContact CD2-CD1 4.11Å; F1089-F1131 HydrophobicContact CE1-CD1 4.21Å; F1089-F1131 HydrophobicContact CE1-CE1 4.03Å; F1089-F1131 AromaticContact CG-CD1 3.73Å; F1089-F1131 HydrophobicContact CG-CD1 3.73Å; F1089-F1131 HydrophobicContact CG-CE1 4.21Å; F1090-F1131 HydrophobicContact CD2-CD1 4.22Å; F1090-F1131 HydrophobicContact CE2-CB 4.05Å; F1090-F1131 AromaticContact CE2-CD1 3.43Å; F1090-F1131 HydrophobicContact CE2-CD1 3.43Å; F1090-F1131 VanDerWaalsContact CE2-CD1 3.43Å; F1090-F1131 HydrophobicContact CE2-CD2 4.05Å; F1090-F1131 AromaticContact CE2-CE1 3.8Å; F1090-F1131 HydrophobicContact CE2-CE1 3.8Å; F1090-F1131 HydrophobicContact CE2-CE2 4.37Å; F1090-F1131 AromaticContact CE2-CG 3.59Å; F1090-F1131 HydrophobicContact CE2-CG 3.59Å; F1090-F1131 HydrophobicContact CE2-CZ 4.26Å; F1090-F1131 HydrophobicContact CZ-CD1 4.02Å; F1090-F1131 HydrophobicContact CZ-CD2 4.36Å; F1090-F1131 AromaticContact CZ-CE1 3.9Å; F1090-F1131 HydrophobicContact CZ-CE1 3.9Å; F1090-F1131 HydrophobicContact CZ-CE2 4.25Å; F1090-F1131 HydrophobicContact CZ-CG 4.27Å; F1090-F1131 HydrophobicContact CZ-CZ 4.02Å; H1129-F1131 PolarHBondContact O-N 3.13Å; F1131-M1141 HydrophobicContact CB-CE 4.49Å; F1131-M1141 HydrophobicContact CD2-CE 3.91Å |
| 1132 | E | 85.6 | Confident | 89.5 | Confident | 28 Ų | 28 | 44.8 Ų | 44.8 | 13% | 0.131 | 22% | 0.221 | C | C | . | . | trans | -34 | 130.7 | -175.2 | -178.3 | 176.5 | -106.6 | 0 | 0 | 115.4 | K945 K1086 H1129 L1130 | K945-E1132 PolarHBondContact NZ-O 3.4Å; K1086-E1132 IonicContact NZ-OE2 3.52Å; K1086-E1132 PolarHBondContact NZ-OE2 3.3Å; H1129-E1132 HydrophobicContact CB-CB 4.11Å; H1129-E1132 IonicContact CE1-OE1 2.68Å; H1129-E1132 IonicContact CG-OE1 3.92Å; H1129-E1132 IonicContact CG-OE2 3.66Å; H1129-E1132 VanDerWaalsContact ND1-CD 3.26Å; H1129-E1132 IonicContact ND1-OE1 3.33Å; H1129-E1132 PolarHBondContact ND1-OE1 2.82Å; H1129-E1132 IonicContact ND1-OE2 2.74Å; H1129-E1132 PolarHBondContact ND1-OE2 2.79Å; H1129-E1132 WeakPolarHBondContact O-CB 3.47Å; H1129-E1132 PolarHBondContact O-N 3.35Å; H1129-E1132 VanDerWaalsContact O-N 3.15Å; L1130-E1132 PolarHBondContact O-N 3.24Å | ||
| 1133 | F | 79.7 | Confident | 89.5 | Confident | 52 Ų | 52 | 45.8 Ų | 45.8 | 23% | 0.228 | 23% | 0.227 | C | C | . | . | trans | -80.7 | 123.6 | 170.5 | -66 | -55.2 | 0 | 0 | 0 | 109.9 | I659 F660 E1135 T1136 S1139 | I659-F1133 HydrophobicContact CB-CE1 4.5Å; I659-F1133 HydrophobicContact CB-CE2 4.1Å; I659-F1133 HydrophobicContact CB-CZ 3.69Å; I659-F1133 HydrophobicContact CG2-CE1 3.94Å; I659-F1133 HydrophobicContact CG2-CE2 4.42Å; I659-F1133 HydrophobicContact CG2-CZ 3.55Å; F660-F1133 AromaticContact CD1-CE2 3.78Å; F660-F1133 HydrophobicContact CD1-CE2 3.78Å; F660-F1133 AromaticContact CD1-CZ 3.74Å; F660-F1133 HydrophobicContact CD1-CZ 3.74Å; F660-F1133 HydrophobicContact CD2-CD2 4.26Å; F660-F1133 AromaticContact CD2-CE2 3.53Å; F660-F1133 HydrophobicContact CD2-CE2 3.53Å; F660-F1133 HydrophobicContact CD2-CZ 4.27Å; F660-F1133 HydrophobicContact CE1-CD2 4.07Å; F660-F1133 HydrophobicContact CE1-CE1 4.34Å; F660-F1133 AromaticContact CE1-CE2 3.58Å; F660-F1133 HydrophobicContact CE1-CE2 3.58Å; F660-F1133 AromaticContact CE1-CZ 3.71Å; F660-F1133 HydrophobicContact CE1-CZ 3.71Å; F660-F1133 AromaticContact CE2-CD2 3.61Å; F660-F1133 HydrophobicContact CE2-CD2 3.61Å; F660-F1133 AromaticContact CE2-CE2 3.33Å; F660-F1133 HydrophobicContact CE2-CE2 3.33Å; F660-F1133 HydrophobicContact CE2-CZ 4.26Å; F660-F1133 AromaticContact CG-CE2 3.74Å; F660-F1133 HydrophobicContact CG-CE2 3.74Å; F660-F1133 HydrophobicContact CG-CZ 4.02Å; F660-F1133 AromaticContact CZ-CD2 3.49Å; F660-F1133 HydrophobicContact CZ-CD2 3.49Å; F660-F1133 VanDerWaalsContact CZ-CD2 3.49Å; F660-F1133 AromaticContact CZ-CE2 3.35Å; F660-F1133 HydrophobicContact CZ-CE2 3.35Å; F660-F1133 HydrophobicContact CZ-CG 4.23Å; F660-F1133 AromaticContact CZ-CZ 3.98Å; F660-F1133 HydrophobicContact CZ-CZ 3.98Å; F1133-E1135 PolarHBondContact O-N 2.76Å; F1133-E1135 VanDerWaalsContact O-N 3.09Å; F1133-T1136 PolarHBondContact O-N 3.48Å; F1133-T1136 VanDerWaalsContact O-N 3.1Å; F1133-S1139 PolarHBondContact N-OG 2.83Å; F1133-S1139 PolarHBondContact O-OG 2.84Å | ||
| 1134 | K | 77.4 | Confident | 89.6 | Confident | 207 Ų | 207 | 45.5 Ų | 45.5 | 90% | 0.9 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -27.3 | -173.4 | -171.4 | -176 | 176 | -169.4 | 0 | 114 | ||
| 1135 | E | 80.7 | Confident | 89.8 | Confident | 181 Ų | 181 | 42.4 Ų | 42.4 | 85% | 0.846 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | -7.7 | -175.2 | -63 | 178 | -174.5 | 0 | 0 | 113 | F1133 P1137 | F1133-E1135 PolarHBondContact O-N 2.76Å; F1133-E1135 VanDerWaalsContact O-N 3.09Å; E1135-P1137 WeakPolarHBondContact O-CD 3.04Å |
| 1136 | T | 82.5 | Confident | 90 | Very high | 75 Ų | 75 | 43.7 Ų | 43.7 | 46% | 0.46 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -118.9 | 97.3 | -177.1 | -48.8 | 0 | 0 | 0 | 0 | 110.1 | F1133 S1139 | F1133-T1136 PolarHBondContact O-N 3.48Å; F1133-T1136 VanDerWaalsContact O-N 3.1Å; T1136-S1139 WeakPolarHBondContact O-CB 3.07Å; T1136-S1139 PolarHBondContact O-N 2.84Å; T1136-S1139 PolarHBondContact O-OG 3.08Å |
| 1137 | P | 85.3 | Confident | 90.1 | Very high | 101 Ų | 101 | 43.5 Ų | 43.5 | 66% | 0.656 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 142.6 | 177.6 | -26.2 | 35.3 | 0 | 0 | 0 | 112.5 | E1135 S1139 | E1135-P1137 WeakPolarHBondContact O-CD 3.04Å; P1137-S1139 PolarHBondContact O-N 3.49Å |
| 1138 | F | 88.3 | Confident | 90.2 | Very high | 81 Ų | 81 | 43.1 Ų | 43.1 | 36% | 0.355 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 21.3 | -179.9 | -46 | -74.3 | 0 | 0 | 0 | 115 | Y860 F861 P862 | Y860-F1138 HydrophobicContact CE1-CD1 4.06Å; Y860-F1138 VanDerWaalsContact O-CE1 3.27Å; Y860-F1138 WeakPolarHBondContact O-CE1 3.48Å; F861-F1138 HydrophobicContact CD1-CB 4.13Å; F861-F1138 HydrophobicContact CD1-CD1 4.47Å; P862-F1138 HydrophobicContact CG-CD2 4.26Å; P862-F1138 HydrophobicContact CG-CE2 4.36Å; P862-F1138 HydrophobicContact CG-CG 4.39Å |
| 1139 | S | 87.4 | Confident | 90.4 | Very high | 19 Ų | 19 | 42.8 Ų | 42.8 | 13% | 0.133 | 21% | 0.213 | C | C | . | . | trans | -82.1 | -14.4 | 174.3 | 60.9 | 0 | 0 | 0 | 0 | 114.4 | F660 F1133 T1136 P1137 | F660-S1139 WeakPolarHBondContact CE2-O 3.37Å; F660-S1139 WeakPolarHBondContact CZ-O 3.26Å; F1133-S1139 PolarHBondContact N-OG 2.83Å; F1133-S1139 PolarHBondContact O-OG 2.84Å; T1136-S1139 WeakPolarHBondContact O-CB 3.07Å; T1136-S1139 PolarHBondContact O-N 2.84Å; T1136-S1139 PolarHBondContact O-OG 3.08Å; P1137-S1139 PolarHBondContact O-N 3.49Å | ||
| 1140 | G | 88.6 | Confident | 90.6 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | trans | -68 | 157.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | F861 N1128 L1130 | F861-G1140 VanDerWaalsContact CE1-O 3.23Å; F861-G1140 WeakPolarHBondContact CE1-O 3.07Å; F861-G1140 WeakPolarHBondContact CZ-O 3.32Å; N1128-G1140 CarbonylContact O-C 3.53Å; N1128-G1140 WeakPolarHBondContact O-CA 3.44Å; L1130-G1140 WeakPolarHBondContact O-CA 3.46Å | ||
| 1141 | M | 93 | Very high | 90.8 | Very high | 21 Ų | 21 | 43 Ų | 43 | 10% | 0.103 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -111.3 | 173.9 | 179.2 | -67.7 | 179.3 | -79.5 | 0 | 0 | 113 | F660 R1127 L1130 F1131 L1146 | F660-M1141 HydrophobicContact CD1-CE 4.19Å; F660-M1141 HydrophobicContact CE1-CE 4.29Å; R1127-M1141 CarbonylContact C-O 3.3Å; L1130-M1141 HydrophobicContact CB-CB 4.11Å; L1130-M1141 WeakPolarHBondContact CB-O 3.45Å; L1130-M1141 HydrophobicContact CD2-CB 4.17Å; L1130-M1141 PolarHBondContact N-O 3.24Å; L1130-M1141 PolarHBondContact O-N 3.47Å; F1131-M1141 HydrophobicContact CB-CE 4.49Å; F1131-M1141 HydrophobicContact CD2-CE 3.91Å; M1141-L1146 HydrophobicContact CB-CD1 4.12Å; M1141-L1146 HydrophobicContact SD-CD1 4.21Å |
| 1142 | D | 96.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -111.3 | 105.3 | 177.1 | -177.8 | -29.6 | 0 | 0 | 0 | 110.8 | R788 A791 M873 R1127 P1144 A1145 L1146 | R788-D1142 WeakPolarHBondContact CD-OD2 3.38Å; R788-D1142 IonicContact CZ-OD2 3.18Å; R788-D1142 IonicContact NE-OD2 2.66Å; R788-D1142 IonicContact NH1-OD2 2.94Å; R788-D1142 PolarHBondContact NH1-OD2 3.1Å; A791-D1142 VanDerWaalsContact CB-OD2 3.32Å; A791-D1142 WeakPolarHBondContact CB-OD2 3.49Å; M873-D1142 HydrophobicContact CE-CB 3.94Å; M873-D1142 HydrophobicContact SD-CB 3.8Å; R1127-D1142 VanDerWaalsContact O-CA 3.26Å; R1127-D1142 WeakPolarHBondContact O-CA 3.36Å; R1127-D1142 WeakPolarHBondContact O-CB 3.2Å; D1142-P1144 WeakPolarHBondContact OD1-CD 3.48Å; D1142-P1144 WeakPolarHBondContact OD1-CG 3.26Å; D1142-A1145 HydrophobicContact CB-CB 3.74Å; D1142-A1145 VanDerWaalsContact CG-CB 3.42Å; D1142-A1145 PolarHBondContact O-N 3.18Å; D1142-A1145 WeakPolarHBondContact OD1-CB 3.11Å; D1142-A1145 PolarHBondContact OD1-N 3.04Å; D1142-L1146 VanDerWaalsContact O-CG 3.3Å; D1142-L1146 WeakPolarHBondContact O-CG 3.45Å; D1142-L1146 PolarHBondContact O-N 2.99Å | ||
| 1143 | L | 96.4 | Very high | 91.8 | Very high | 26 Ų | 26 | 39.9 Ų | 39.9 | 14% | 0.136 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61 | -48.5 | 179.5 | -174.5 | 56.3 | 0 | 0 | 0 | 113.7 | H1062 L1126 L1130 A1145 L1146 N1147 | H1062-L1143 HydrophobicContact CB-CD2 4.39Å; L1126-L1143 HydrophobicContact CB-CB 4.39Å; L1126-L1143 HydrophobicContact CD1-CD2 4.43Å; L1126-L1143 HydrophobicContact CD2-CD2 3.86Å; L1126-L1143 WeakPolarHBondContact O-CB 3.23Å; L1126-L1143 PolarHBondContact O-N 3.47Å; L1130-L1143 HydrophobicContact CD1-CB 4.35Å; L1130-L1143 HydrophobicContact CD1-CD2 4.44Å; L1130-L1143 HydrophobicContact CD2-CB 3.99Å; L1130-L1143 HydrophobicContact CD2-CD1 4.2Å; L1143-A1145 VanDerWaalsContact C-N 3.3Å; L1143-A1145 PolarHBondContact O-N 2.95Å; L1143-L1146 PolarHBondContact O-N 3.49Å; L1143-N1147 PolarHBondContact O-N 3.09Å; L1143-N1147 PolarHBondContact O-ND2 3.09Å |
| 1144 | P | 97.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.4 | -40.3 | 172.1 | 3.2 | -11.7 | 0 | 0 | 0 | 114 | A791 H795 I1122 R1127 D1142 N1147 I1148 F1202 | A791-P1144 HydrophobicContact CB-CB 4.07Å; A791-P1144 HydrophobicContact CB-CG 4.39Å; H795-P1144 HydrophobicContact CB-CB 4.44Å; H795-P1144 HydrophobicContact CB-CG 4.44Å; I1122-P1144 HydrophobicContact CB-CG 4.42Å; I1122-P1144 HydrophobicContact CD1-CB 3.93Å; I1122-P1144 HydrophobicContact CD1-CG 3.77Å; I1122-P1144 HydrophobicContact CG2-CG 4.25Å; R1127-P1144 HydrophobicContact CG-CG 4.2Å; D1142-P1144 WeakPolarHBondContact OD1-CD 3.48Å; D1142-P1144 WeakPolarHBondContact OD1-CG 3.26Å; P1144-N1147 PolarHBondContact O-N 3.3Å; P1144-I1148 WeakPolarHBondContact O-CG1 3.05Å; P1144-I1148 PolarHBondContact O-N 3.36Å; P1144-I1148 VanDerWaalsContact O-N 3.12Å; P1144-F1202 HydrophobicContact CB-CE1 4.24Å |
| 1145 | A | 97.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.3 | -42.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | P787 R788 A791 I852 M873 D1142 L1143 N1147 I1148 Q1149 | P787-A1145 HydrophobicContact CB-CB 4Å; P787-A1145 WeakPolarHBondContact CB-O 3.14Å; R788-A1145 HydrophobicContact CB-CB 4.43Å; A791-A1145 HydrophobicContact CB-CB 4.13Å; I852-A1145 HydrophobicContact CD1-CB 4.2Å; M873-A1145 HydrophobicContact CE-CB 4.31Å; D1142-A1145 HydrophobicContact CB-CB 3.74Å; D1142-A1145 VanDerWaalsContact CG-CB 3.42Å; D1142-A1145 PolarHBondContact O-N 3.18Å; D1142-A1145 WeakPolarHBondContact OD1-CB 3.11Å; D1142-A1145 PolarHBondContact OD1-N 3.04Å; L1143-A1145 VanDerWaalsContact C-N 3.3Å; L1143-A1145 PolarHBondContact O-N 2.95Å; A1145-N1147 VanDerWaalsContact C-N 3.3Å; A1145-N1147 PolarHBondContact O-N 3.09Å; A1145-I1148 PolarHBondContact O-N 3.41Å; A1145-Q1149 PolarHBondContact O-N 2.67Å |
| 1146 | L | 97 | Very high | 94.3 | Very high | 27 Ų | 27 | 19.1 Ų | 19.1 | 14% | 0.141 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.7 | -37.1 | 173.7 | -71.3 | 171.1 | 0 | 0 | 0 | 112.1 | I852 F875 L1130 M1141 D1142 L1143 R1150 | I852-L1146 HydrophobicContact CD1-CD2 4.01Å; F875-L1146 HydrophobicContact CD2-CD2 3.87Å; L1130-L1146 HydrophobicContact CD2-CD1 3.7Å; M1141-L1146 HydrophobicContact CB-CD1 4.12Å; M1141-L1146 HydrophobicContact SD-CD1 4.21Å; D1142-L1146 VanDerWaalsContact O-CG 3.3Å; D1142-L1146 WeakPolarHBondContact O-CG 3.45Å; D1142-L1146 PolarHBondContact O-N 2.99Å; L1143-L1146 PolarHBondContact O-N 3.49Å; L1146-R1150 WeakPolarHBondContact O-CB 3.11Å; L1146-R1150 PolarHBondContact O-N 3.1Å |
| 1147 | N | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.8 | -42.4 | 175.3 | -65.7 | -34.8 | 0 | 0 | 0 | 111.9 | R1059 H1062 L1143 P1144 A1145 A1151 F1202 | R1059-N1147 WeakPolarHBondContact CD-OD1 3.41Å; R1059-N1147 PolarHBondContact NH1-OD1 3.21Å; H1062-N1147 PolarHBondContact ND1-ND2 3.19Å; L1143-N1147 PolarHBondContact O-N 3.09Å; L1143-N1147 PolarHBondContact O-ND2 3.09Å; P1144-N1147 PolarHBondContact O-N 3.3Å; A1145-N1147 VanDerWaalsContact C-N 3.3Å; A1145-N1147 PolarHBondContact O-N 3.09Å; N1147-A1151 PolarHBondContact O-N 2.9Å; N1147-F1202 HydrophobicContact CB-CD1 3.9Å; N1147-F1202 HydrophobicContact CB-CD2 4.36Å; N1147-F1202 HydrophobicContact CB-CE1 4.15Å; N1147-F1202 HydrophobicContact CB-CG 4.02Å; N1147-F1202 HydrophobicContact CB-CZ 4.47Å |
| 1148 | I | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -65.7 | -48.3 | 176.4 | -69.3 | 160.9 | 0 | 0 | 0 | 110.7 | P787 V790 P1144 A1145 R1150 A1151 R1152 D1200 F1202 P1203 | P787-I1148 HydrophobicContact CB-CB 4.08Å; P787-I1148 HydrophobicContact CB-CG2 3.87Å; P787-I1148 HydrophobicContact CG-CG2 4.17Å; V790-I1148 HydrophobicContact CB-CD1 3.96Å; V790-I1148 HydrophobicContact CG1-CD1 3.61Å; P1144-I1148 WeakPolarHBondContact O-CG1 3.05Å; P1144-I1148 PolarHBondContact O-N 3.36Å; P1144-I1148 VanDerWaalsContact O-N 3.12Å; A1145-I1148 PolarHBondContact O-N 3.41Å; I1148-R1150 VanDerWaalsContact C-N 3.33Å; I1148-R1150 PolarHBondContact O-N 2.98Å; I1148-A1151 PolarHBondContact O-N 3.24Å; I1148-R1152 WeakPolarHBondContact O-CG 3.23Å; I1148-R1152 PolarHBondContact O-N 3.22Å; I1148-D1200 HydrophobicContact CG2-CB 4.2Å; I1148-D1200 WeakPolarHBondContact CG2-OD2 3.45Å; I1148-F1202 HydrophobicContact CG1-CD1 4.46Å; I1148-P1203 HydrophobicContact CD1-CG 4.27Å; I1148-P1203 HydrophobicContact CG1-CG 4.29Å |
| 1149 | Q | 97 | Very high | 95.8 | Very high | 5 Ų | 5 | 8 Ų | 8 | 2% | 0.023 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -62.2 | -40.6 | 178.8 | -168.1 | 75 | -26.2 | 0 | 0 | 111.6 | P787 W850 P851 I852 F875 A1145 A1151 R1152 D1153 | P787-Q1149 HydrophobicContact CB-CB 4.45Å; P787-Q1149 HydrophobicContact CG-CB 4.04Å; W850-Q1149 VanDerWaalsContact CD2-NE2 3.34Å; W850-Q1149 HydrophobicContact CE3-CG 3.9Å; W850-Q1149 HydrophobicContact CZ3-CG 3.87Å; W850-Q1149 PolarHBondContact O-NE2 2.98Å; P851-Q1149 PolarHBondContact O-NE2 3.3Å; I852-Q1149 HydrophobicContact CD1-CB 3.7Å; I852-Q1149 HydrophobicContact CD1-CG 4.06Å; I852-Q1149 HydrophobicContact CG1-CB 3.93Å; I852-Q1149 HydrophobicContact CG1-CG 3.74Å; F875-Q1149 HydrophobicContact CD1-CG 3.86Å; F875-Q1149 HydrophobicContact CD2-CB 3.95Å; F875-Q1149 HydrophobicContact CD2-CG 3.6Å; F875-Q1149 HydrophobicContact CE1-CG 3.87Å; F875-Q1149 HydrophobicContact CE2-CB 3.73Å; F875-Q1149 HydrophobicContact CE2-CG 3.59Å; F875-Q1149 HydrophobicContact CG-CG 3.74Å; F875-Q1149 HydrophobicContact CZ-CB 4.21Å; F875-Q1149 HydrophobicContact CZ-CG 3.74Å; A1145-Q1149 PolarHBondContact O-N 2.67Å; Q1149-A1151 PolarHBondContact O-N 2.93Å; Q1149-R1152 PolarHBondContact O-N 3.4Å; Q1149-D1153 WeakPolarHBondContact O-CB 3.37Å; Q1149-D1153 PolarHBondContact O-N 3.19Å |
| 1150 | R | 97 | Very high | 96.2 | Very high | 29 Ų | 29 | 7.2 Ų | 7.2 | 11% | 0.109 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -63.9 | -38.4 | 175.3 | -164.5 | 66.5 | 58.5 | -168.6 | -3.3 | 112.3 | M825 F875 V876 S878 T1055 L1146 I1148 D1153 H1154 | M825-R1150 PolarHBondContact SD-NH2 3.06Å; M825-R1150 VanDerWaalsContact SD-NH2 3.43Å; F875-R1150 HydrophobicContact CE2-CB 4.2Å; F875-R1150 VanDerWaalsContact CE2-CZ 3.45Å; F875-R1150 VanDerWaalsContact CE2-NH2 3.34Å; F875-R1150 HydrophobicContact CZ-CB 4.38Å; V876-R1150 PolarHBondContact O-NH1 3.48Å; V876-R1150 PolarHBondContact O-NH2 2.05Å; S878-R1150 VanDerWaalsContact N-NH1 3.19Å; S878-R1150 WeakPolarHBondContact OG-CD 3.32Å; S878-R1150 PolarHBondContact OG-NH1 3.28Å; T1055-R1150 HydrophobicContact CG2-CB 4.32Å; T1055-R1150 HydrophobicContact CG2-CG 4Å; L1146-R1150 WeakPolarHBondContact O-CB 3.11Å; L1146-R1150 PolarHBondContact O-N 3.1Å; I1148-R1150 VanDerWaalsContact C-N 3.33Å; I1148-R1150 PolarHBondContact O-N 2.98Å; R1150-D1153 IonicContact NH1-OD2 3.98Å; R1150-D1153 PolarHBondContact NH1-OD2 3.33Å; R1150-D1153 PolarHBondContact O-N 2.92Å; R1150-H1154 WeakPolarHBondContact CD-NE2 3.49Å; R1150-H1154 WeakPolarHBondContact O-CB 3.21Å; R1150-H1154 PolarHBondContact O-CD2 3.41Å; R1150-H1154 PolarHBondContact O-N 2.95Å |
| 1151 | A | 97.4 | Very high | 96.6 | Very high | 2 Ų | 2 | 8.7 Ų | 8.7 | 2% | 0.017 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -64.4 | -39.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T1055 N1147 I1148 Q1149 G1155 I1156 | T1055-A1151 HydrophobicContact CG2-CB 4.18Å; N1147-A1151 PolarHBondContact O-N 2.9Å; I1148-A1151 PolarHBondContact O-N 3.24Å; Q1149-A1151 PolarHBondContact O-N 2.93Å; A1151-G1155 PolarHBondContact O-N 3.35Å; A1151-I1156 HydrophobicContact CB-CB 4.27Å; A1151-I1156 HydrophobicContact CB-CG1 4.3Å; A1151-I1156 WeakPolarHBondContact O-CB 3.06Å; A1151-I1156 WeakPolarHBondContact O-CG1 3.27Å; A1151-I1156 PolarHBondContact O-N 2.86Å |
| 1152 | R | 97.1 | Very high | 96.9 | Very high | 9 Ų | 9 | 7.7 Ų | 7.7 | 3% | 0.034 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -69.8 | -37.9 | 175.2 | -63.8 | 177.3 | -174.6 | -179.4 | 4.3 | 112.5 | P774 R775 P785 W850 I1148 Q1149 G1155 D1200 | P774-R1152 WeakPolarHBondContact CA-O 3.35Å; R775-R1152 HydrophobicContact CB-CB 4.46Å; R775-R1152 PolarHBondContact N-O 2.97Å; P785-R1152 PolarHBondContact O-NH1 2.75Å; P785-R1152 PolarHBondContact O-NH2 2.91Å; W850-R1152 HydrophobicContact CH2-CB 3.68Å; W850-R1152 HydrophobicContact CZ3-CB 3.86Å; I1148-R1152 WeakPolarHBondContact O-CG 3.23Å; I1148-R1152 PolarHBondContact O-N 3.22Å; Q1149-R1152 PolarHBondContact O-N 3.4Å; R1152-G1155 PolarHBondContact O-N 2.97Å; R1152-D1200 WeakPolarHBondContact CG-OD1 3.19Å; R1152-D1200 IonicContact CZ-OD1 2.63Å; R1152-D1200 IonicContact CZ-OD2 2.84Å; R1152-D1200 IonicContact NE-OD1 3.37Å; R1152-D1200 PolarHBondContact NE-OD1 3.17Å; R1152-D1200 IonicContact NE-OD2 3.42Å; R1152-D1200 PolarHBondContact NE-OD2 3.15Å; R1152-D1200 VanDerWaalsContact NE-OD2 3.15Å; R1152-D1200 IonicContact NH2-OD1 2.71Å; R1152-D1200 IonicContact NH2-OD2 3.02Å; R1152-D1200 PolarHBondContact NH2-OD2 3.06Å |
| 1153 | D | 96.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -65.2 | -36.3 | 174.2 | 173.2 | 41.1 | 0 | 0 | 0 | 112.9 | Y767 W850 F875 R877 S878 Q890 Q1149 R1150 G1155 | Y767-D1153 WeakPolarHBondContact CE1-O 3.44Å; W850-D1153 HydrophobicContact CE3-CB 4.27Å; W850-D1153 HydrophobicContact CZ3-CB 4.23Å; F875-D1153 HydrophobicContact CE1-CB 4.07Å; F875-D1153 HydrophobicContact CZ-CB 3.94Å; R877-D1153 WeakPolarHBondContact CA-OD2 3.16Å; R877-D1153 IonicContact CZ-OD1 3.15Å; R877-D1153 IonicContact NE-OD1 3.92Å; R877-D1153 PolarHBondContact NE-OD1 3.2Å; R877-D1153 PolarHBondContact NH2-O 2.69Å; R877-D1153 IonicContact NH2-OD1 3Å; R877-D1153 PolarHBondContact NH2-OD1 2.94Å; R877-D1153 VanDerWaalsContact NH2-OD1 3.08Å; S878-D1153 WeakPolarHBondContact CB-OD2 3.22Å; S878-D1153 PolarHBondContact N-OD2 2.95Å; S878-D1153 PolarHBondContact OG-OD2 3.2Å; Q890-D1153 PolarHBondContact NE2-O 2.89Å; Q1149-D1153 WeakPolarHBondContact O-CB 3.37Å; Q1149-D1153 PolarHBondContact O-N 3.19Å; R1150-D1153 IonicContact NH1-OD2 3.98Å; R1150-D1153 PolarHBondContact NH1-OD2 3.33Å; R1150-D1153 PolarHBondContact O-N 2.92Å; D1153-G1155 PolarHBondContact O-N 2.84Å |
| 1154 | H | 96.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 2.2 | 175.8 | -73.6 | -143.5 | 0 | 0 | 0 | 113.6 | R761 Y767 S878 N1051 T1055 R1150 I1156 | R761-H1154 PolarHBondContact NH1-O 3.01Å; R761-H1154 PolarHBondContact NH2-O 3.45Å; Y767-H1154 PolarHBondContact OH-O 2.03Å; S878-H1154 WeakPolarHBondContact CB-NE2 3.25Å; S878-H1154 PolarHBondContact OG-CD2 2.66Å; S878-H1154 PolarHBondContact OG-NE2 3.12Å; N1051-H1154 PolarHBondContact OD1-ND1 2.89Å; T1055-H1154 HydrophobicContact CG2-CB 4.15Å; T1055-H1154 PolarHBondContact OG1-CE1 3.03Å; T1055-H1154 PolarHBondContact OG1-ND1 3.4Å; R1150-H1154 WeakPolarHBondContact CD-NE2 3.49Å; R1150-H1154 WeakPolarHBondContact O-CB 3.21Å; R1150-H1154 PolarHBondContact O-CD2 3.41Å; R1150-H1154 PolarHBondContact O-N 2.95Å; H1154-I1156 VanDerWaalsContact C-N 3.32Å; H1154-I1156 HydrophobicContact CB-CD1 4.14Å; H1154-I1156 HydrophobicContact CB-CG1 3.91Å; H1154-I1156 PolarHBondContact O-N 3.1Å |
| 1155 | G | 95.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 37.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | P765 A766 Y767 A1151 R1152 D1153 P1157 | P765-G1155 CarbonylContact C-O 2.88Å; P765-G1155 VanDerWaalsContact CA-O 3.3Å; P765-G1155 WeakPolarHBondContact CA-O 3.46Å; A766-G1155 PolarHBondContact N-O 3.15Å; Y767-G1155 VanDerWaalsContact CE1-CA 3.4Å; A1151-G1155 PolarHBondContact O-N 3.35Å; R1152-G1155 PolarHBondContact O-N 2.97Å; D1153-G1155 PolarHBondContact O-N 2.84Å; G1155-P1157 WeakPolarHBondContact O-CD 3.14Å |
| 1156 | I | 97.3 | Very high | 96.8 | Very high | 4 Ų | 4 | 17.4 Ų | 17.4 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | P | Polyproline II helix | trans | -77.7 | 123.3 | 179.7 | -55.5 | -61.9 | 0 | 0 | 0 | 109.7 | N1051 E1052 T1055 A1151 H1154 Y1162 L1201 | N1051-I1156 HydrophobicContact CB-CD1 4.24Å; E1052-I1156 HydrophobicContact CG-CD1 4.35Å; E1052-I1156 HydrophobicContact CG-CG2 4.5Å; T1055-I1156 HydrophobicContact CG2-CG1 4.33Å; A1151-I1156 HydrophobicContact CB-CB 4.27Å; A1151-I1156 HydrophobicContact CB-CG1 4.3Å; A1151-I1156 WeakPolarHBondContact O-CB 3.06Å; A1151-I1156 WeakPolarHBondContact O-CG1 3.27Å; A1151-I1156 PolarHBondContact O-N 2.86Å; H1154-I1156 VanDerWaalsContact C-N 3.32Å; H1154-I1156 HydrophobicContact CB-CD1 4.14Å; H1154-I1156 HydrophobicContact CB-CG1 3.91Å; H1154-I1156 PolarHBondContact O-N 3.1Å; I1156-Y1162 HydrophobicContact CG2-CE2 4.16Å; I1156-L1201 HydrophobicContact CG2-CB 4.02Å; I1156-L1201 HydrophobicContact CG2-CD2 3.63Å; I1156-L1201 HydrophobicContact CG2-CG 4.48Å |
| 1157 | P | 95.7 | Very high | 96.7 | Very high | 15 Ų | 15 | 19.3 Ų | 19.3 | 10% | 0.097 | 12% | 0.121 | C | C | . | . | P | Polyproline II helix | trans | -54.7 | 159.1 | 172.8 | -26.5 | 32.5 | 0 | 0 | 0 | 114.9 | L763 K764 A766 G1155 A1161 Y1162 | L763-P1157 HydrophobicContact CB-CG 4.19Å; L763-P1157 HydrophobicContact CD1-CB 4.43Å; L763-P1157 HydrophobicContact CD1-CG 4.36Å; K764-P1157 WeakPolarHBondContact O-CG 3.44Å; A766-P1157 HydrophobicContact CB-CB 4.36Å; A766-P1157 HydrophobicContact CB-CG 4.05Å; G1155-P1157 WeakPolarHBondContact O-CD 3.14Å; P1157-A1161 HydrophobicContact CB-CB 4.2Å; P1157-Y1162 HydrophobicContact CB-CE2 3.86Å; P1157-Y1162 WeakPolarHBondContact CD-OH 3.23Å; P1157-Y1162 HydrophobicContact CG-CE2 4.28Å; P1157-Y1162 WeakPolarHBondContact O-CE2 3.46Å |
| 1158 | G | 95.7 | Very high | 96.6 | Very high | 8 Ų | 8 | 21.5 Ų | 21.5 | 8% | 0.082 | 13% | 0.132 | C | C | . | . | P | Polyproline II helix | trans | -62.9 | 153.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | N1160 A1161 I1199 | G1158-N1160 PolarHBondContact O-N 3.27Å; G1158-N1160 VanDerWaalsContact O-N 3.08Å; G1158-A1161 WeakPolarHBondContact O-CB 3.38Å; G1158-A1161 PolarHBondContact O-N 3.21Å; G1158-I1199 CarbonylContact C-O 3.09Å; G1158-I1199 VanDerWaalsContact CA-O 3.24Å; G1158-I1199 WeakPolarHBondContact CA-O 3.2Å |
| 1159 | Y | 97.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 26 Ų | 26 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -48.2 | -38.8 | -176.4 | 164 | -110.5 | 0 | 0 | 0 | 113.9 | A1161 Y1162 R1163 L1177 M1181 I1199 L1201 L1205 E1208 T1219 | Y1159-A1161 VanDerWaalsContact C-N 3.28Å; Y1159-A1161 PolarHBondContact O-N 2.96Å; Y1159-Y1162 PolarHBondContact O-N 2.99Å; Y1159-R1163 HydrophobicContact CE1-CG 3.84Å; Y1159-R1163 HydrophobicContact CE2-CG 4.02Å; Y1159-R1163 PolarHBondContact O-N 3.41Å; Y1159-R1163 VanDerWaalsContact O-N 3.07Å; Y1159-R1163 WeakPolarHBondContact OH-CG 3.44Å; Y1159-R1163 PolarHBondContact OH-NH1 3.09Å; Y1159-L1177 HydrophobicContact CE1-CD2 4.09Å; Y1159-M1181 HydrophobicContact CD1-CE 4.27Å; Y1159-M1181 HydrophobicContact CE1-CE 3.42Å; Y1159-M1181 VanDerWaalsContact CE1-CE 3.42Å; Y1159-M1181 HydrophobicContact CE2-CE 4.31Å; Y1159-M1181 VanDerWaalsContact CZ-CE 3.47Å; Y1159-M1181 WeakPolarHBondContact OH-CE 3.46Å; Y1159-I1199 HydrophobicContact CD1-CG2 4.38Å; Y1159-I1199 HydrophobicContact CG-CG2 4.5Å; Y1159-I1199 PolarHBondContact N-O 3.07Å; Y1159-L1201 HydrophobicContact CD2-CD1 4.3Å; Y1159-L1205 HydrophobicContact CD2-CD2 4.31Å; Y1159-L1205 HydrophobicContact CE2-CD2 4.31Å; Y1159-E1208 HydrophobicContact CE2-CG 4.39Å; Y1159-E1208 WeakPolarHBondContact CE2-OE1 3.41Å; Y1159-E1208 PolarHBondContact OH-OE1 2.76Å; Y1159-T1219 HydrophobicContact CE2-CG2 4.32Å |
| 1160 | N | 96.1 | Very high | 96.3 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.011 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.2 | -27.6 | -176.8 | -156.5 | 20.3 | 0 | 0 | 0 | 113.5 | G1158 Y1162 Q1164 K1170 A1171 D1197 | G1158-N1160 PolarHBondContact O-N 3.27Å; G1158-N1160 VanDerWaalsContact O-N 3.08Å; N1160-Y1162 VanDerWaalsContact C-N 3.32Å; N1160-Q1164 PolarHBondContact O-N 3.41Å; N1160-K1170 WeakPolarHBondContact ND2-CE 3.48Å; N1160-K1170 VanDerWaalsContact ND2-CG 3.33Å; N1160-K1170 WeakPolarHBondContact ND2-CG 3.41Å; N1160-K1170 WeakPolarHBondContact OD1-CG 3.46Å; N1160-A1171 PolarHBondContact ND2-O 3.02Å; N1160-A1171 PolarHBondContact OD1-N 3.22Å; N1160-D1197 WeakPolarHBondContact CB-OD1 3.43Å; N1160-D1197 PolarHBondContact ND2-OD1 2.79Å |
| 1161 | A | 96.7 | Very high | 96.3 | Very high | 33 Ų | 33 | 28.9 Ų | 28.9 | 27% | 0.273 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -68.1 | -33.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L763 P1157 G1158 Y1159 Q1164 L1165 | L763-A1161 HydrophobicContact CD1-CB 3.76Å; P1157-A1161 HydrophobicContact CB-CB 4.2Å; G1158-A1161 WeakPolarHBondContact O-CB 3.38Å; G1158-A1161 PolarHBondContact O-N 3.21Å; Y1159-A1161 VanDerWaalsContact C-N 3.28Å; Y1159-A1161 PolarHBondContact O-N 2.96Å; A1161-Q1164 PolarHBondContact O-N 3.26Å; A1161-L1165 PolarHBondContact O-N 3.21Å |
| 1162 | Y | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -79.1 | -30.8 | 178 | -69 | -78.1 | 0 | 0 | 0 | 113.1 | L762 L763 E1052 I1156 P1157 Y1159 N1160 Q1164 L1165 C1166 L1201 I1223 | L762-Y1162 HydrophobicContact CB-CE1 4.24Å; L763-Y1162 HydrophobicContact CB-CE1 4.43Å; L763-Y1162 HydrophobicContact CD1-CD1 4.08Å; L763-Y1162 HydrophobicContact CD1-CD2 4.33Å; L763-Y1162 HydrophobicContact CD1-CE1 3.63Å; L763-Y1162 HydrophobicContact CD1-CE2 3.96Å; L763-Y1162 HydrophobicContact CD1-CG 4.4Å; L763-Y1162 HydrophobicContact CG-CD1 4.5Å; L763-Y1162 HydrophobicContact CG-CE1 3.78Å; E1052-Y1162 VanDerWaalsContact CD-OH 3.31Å; E1052-Y1162 HydrophobicContact CG-CE1 3.56Å; E1052-Y1162 HydrophobicContact CG-CE2 4.46Å; E1052-Y1162 VanDerWaalsContact CG-CZ 3.46Å; E1052-Y1162 WeakPolarHBondContact CG-OH 3.49Å; E1052-Y1162 PolarHBondContact OE1-OH 3.07Å; I1156-Y1162 HydrophobicContact CG2-CE2 4.16Å; P1157-Y1162 HydrophobicContact CB-CE2 3.86Å; P1157-Y1162 WeakPolarHBondContact CD-OH 3.23Å; P1157-Y1162 HydrophobicContact CG-CE2 4.28Å; P1157-Y1162 WeakPolarHBondContact O-CE2 3.46Å; Y1159-Y1162 PolarHBondContact O-N 2.99Å; N1160-Y1162 VanDerWaalsContact C-N 3.32Å; Y1162-Q1164 VanDerWaalsContact C-N 3.31Å; Y1162-Q1164 PolarHBondContact O-N 2.9Å; Y1162-L1165 HydrophobicContact CD1-CD2 3.98Å; Y1162-L1165 HydrophobicContact CE1-CD2 4.2Å; Y1162-L1165 PolarHBondContact O-N 2.82Å; Y1162-C1166 WeakPolarHBondContact O-CB 3.34Å; Y1162-C1166 PolarHBondContact O-N 3.23Å; Y1162-C1166 PolarHBondContact O-SG 3.39Å; Y1162-L1201 HydrophobicContact CD2-CD1 3.62Å; Y1162-L1201 HydrophobicContact CD2-CD2 3.88Å; Y1162-L1201 HydrophobicContact CD2-CG 4.29Å; Y1162-L1201 HydrophobicContact CE2-CD1 4.4Å; Y1162-L1201 HydrophobicContact CE2-CD2 3.87Å; Y1162-L1201 HydrophobicContact CG-CD1 3.89Å; Y1162-L1201 HydrophobicContact CG-CD2 4.31Å; Y1162-I1223 HydrophobicContact CD1-CD1 4.31Å |
| 1163 | R | 96.9 | Very high | 96.1 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 1% | 0.011 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -52 | -52.7 | 163.4 | -74.9 | -175.5 | 74.8 | 99.6 | -15.3 | 110.3 | Y1159 C1166 G1167 L1168 P1169 D1179 S1180 | Y1159-R1163 HydrophobicContact CE1-CG 3.84Å; Y1159-R1163 HydrophobicContact CE2-CG 4.02Å; Y1159-R1163 PolarHBondContact O-N 3.41Å; Y1159-R1163 VanDerWaalsContact O-N 3.07Å; Y1159-R1163 WeakPolarHBondContact OH-CG 3.44Å; Y1159-R1163 PolarHBondContact OH-NH1 3.09Å; R1163-C1166 CarbonylContact O-C 3.6Å; R1163-C1166 PolarHBondContact O-N 2.89Å; R1163-G1167 PolarHBondContact O-N 3.01Å; R1163-L1168 HydrophobicContact CB-CB 4.05Å; R1163-L1168 HydrophobicContact CB-CD1 4.49Å; R1163-L1168 HydrophobicContact CG-CD1 4.28Å; R1163-L1168 WeakPolarHBondContact O-CB 3.46Å; R1163-L1168 PolarHBondContact O-N 2.97Å; R1163-P1169 PolarHBondContact NE-O 3.17Å; R1163-P1169 VanDerWaalsContact NE-O 3.13Å; R1163-D1179 IonicContact CZ-OD1 3.96Å; R1163-D1179 IonicContact NH1-OD1 3.48Å; R1163-D1179 IonicContact NH2-OD1 3.39Å; R1163-D1179 PolarHBondContact NH2-OD1 3.1Å; R1163-D1179 VanDerWaalsContact NH2-OD1 3.13Å; R1163-D1179 IonicContact NH2-OD2 2.73Å; R1163-D1179 PolarHBondContact NH2-OD2 3.4Å; R1163-S1180 PolarHBondContact NH1-OG 3.16Å |
| 1164 | Q | 95.9 | Very high | 96.1 | Very high | 120 Ų | 120 | 42.6 Ų | 42.6 | 56% | 0.561 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -62.8 | -44.9 | -178.5 | -169.7 | 175.6 | 4 | 0 | 0 | 112.4 | N1160 A1161 Y1162 C1166 G1167 K1170 | N1160-Q1164 PolarHBondContact O-N 3.41Å; A1161-Q1164 PolarHBondContact O-N 3.26Å; Y1162-Q1164 VanDerWaalsContact C-N 3.31Å; Y1162-Q1164 PolarHBondContact O-N 2.9Å; Q1164-C1166 VanDerWaalsContact C-N 3.27Å; Q1164-C1166 PolarHBondContact O-N 3.4Å; Q1164-G1167 PolarHBondContact O-N 3.32Å; Q1164-G1167 VanDerWaalsContact O-N 3.11Å; Q1164-K1170 HydrophobicContact CB-CB 4.4Å |
| 1165 | L | 96.3 | Very high | 96.1 | Very high | 84 Ų | 84 | 47.2 Ų | 47.2 | 44% | 0.44 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.6 | -39.9 | 174.7 | 179.2 | 67.2 | 0 | 0 | 0 | 112.3 | L762 L763 A1161 Y1162 G1167 | L762-L1165 HydrophobicContact CB-CD2 3.82Å; L762-L1165 HydrophobicContact CD1-CD2 4.42Å; L763-L1165 HydrophobicContact CD2-CD1 4.19Å; L763-L1165 HydrophobicContact CD2-CD2 4.22Å; L763-L1165 HydrophobicContact CG-CD2 4.25Å; A1161-L1165 PolarHBondContact O-N 3.21Å; Y1162-L1165 HydrophobicContact CD1-CD2 3.98Å; Y1162-L1165 HydrophobicContact CE1-CD2 4.2Å; Y1162-L1165 PolarHBondContact O-N 2.82Å; L1165-G1167 PolarHBondContact O-N 2.91Å |
| 1166 | C | 96.7 | Very high | 96.1 | Very high | 23 Ų | 23 | 50.1 Ų | 50.1 | 16% | 0.155 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 3.4 | -179.9 | -72.5 | 0 | 0 | 0 | 0 | 114.4 | Y1162 R1163 Q1164 T1219 C1222 | Y1162-C1166 WeakPolarHBondContact O-CB 3.34Å; Y1162-C1166 PolarHBondContact O-N 3.23Å; Y1162-C1166 PolarHBondContact O-SG 3.39Å; R1163-C1166 CarbonylContact O-C 3.6Å; R1163-C1166 PolarHBondContact O-N 2.89Å; Q1164-C1166 VanDerWaalsContact C-N 3.27Å; Q1164-C1166 PolarHBondContact O-N 3.4Å; C1166-T1219 HydrophobicContact CB-CG2 4.48Å; C1166-C1222 VanDerWaalsContact CA-SG 3.57Å; C1166-C1222 HydrophobicContact CB-CB 3.69Å; C1166-C1222 WeakPolarHBondContact CB-SG 3.37Å; C1166-C1222 WeakPolarHBondContact SG-CB 3.37Å; C1166-C1222 CovalentContact SG-SG 2.04Å; C1166-C1222 PolarHBondContact SG-SG 2.81Å |
| 1167 | G | 95.3 | Very high | 96 | Very high | 68 Ų | 68 | 50 Ų | 50 | 70% | 0.701 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | 15.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R1163 Q1164 L1165 | R1163-G1167 PolarHBondContact O-N 3.01Å; Q1164-G1167 PolarHBondContact O-N 3.32Å; Q1164-G1167 VanDerWaalsContact O-N 3.11Å; L1165-G1167 PolarHBondContact O-N 2.91Å |
| 1168 | L | 94.8 | Very high | 96 | Very high | 46 Ų | 46 | 52.1 Ų | 52.1 | 24% | 0.241 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -86.7 | 155 | 169.5 | -57.2 | 178.7 | 0 | 0 | 0 | 110.2 | R1163 K1170 P1218 T1219 | R1163-L1168 HydrophobicContact CB-CB 4.05Å; R1163-L1168 HydrophobicContact CB-CD1 4.49Å; R1163-L1168 HydrophobicContact CG-CD1 4.28Å; R1163-L1168 WeakPolarHBondContact O-CB 3.46Å; R1163-L1168 PolarHBondContact O-N 2.97Å; L1168-K1170 PolarHBondContact O-N 2.98Å; L1168-P1218 HydrophobicContact CD1-CB 4.15Å; L1168-P1218 HydrophobicContact CD1-CG 3.99Å; L1168-P1218 HydrophobicContact CD2-CB 4.47Å; L1168-T1219 WeakPolarHBondContact CD1-OG1 3.24Å |
| 1169 | P | 94.6 | Very high | 95.7 | Very high | 93 Ų | 93 | 56.4 Ų | 56.4 | 60% | 0.604 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 133.1 | 170.1 | -23.7 | 34.4 | 0 | 0 | 0 | 111.5 | R1163 A1171 | R1163-P1169 PolarHBondContact NE-O 3.17Å; R1163-P1169 VanDerWaalsContact NE-O 3.13Å; P1169-A1171 PolarHBondContact O-N 2.85Å |
| 1170 | K | 94.6 | Very high | 95.4 | Very high | 91 Ų | 91 | 57 Ų | 57 | 40% | 0.396 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 122.3 | 166.7 | -171 | -173.3 | 174 | -176.3 | 0 | 108.2 | N1160 Q1164 L1168 D1197 | N1160-K1170 WeakPolarHBondContact ND2-CE 3.48Å; N1160-K1170 VanDerWaalsContact ND2-CG 3.33Å; N1160-K1170 WeakPolarHBondContact ND2-CG 3.41Å; N1160-K1170 WeakPolarHBondContact OD1-CG 3.46Å; Q1164-K1170 HydrophobicContact CB-CB 4.4Å; L1168-K1170 PolarHBondContact O-N 2.98Å; K1170-D1197 WeakPolarHBondContact CE-OD1 3.37Å; K1170-D1197 WeakPolarHBondContact CE-OD2 3.38Å; K1170-D1197 VanDerWaalsContact NZ-CG 3.26Å; K1170-D1197 IonicContact NZ-OD1 3.9Å; K1170-D1197 PolarHBondContact NZ-OD1 3.41Å; K1170-D1197 IonicContact NZ-OD2 2.76Å; K1170-D1197 PolarHBondContact NZ-OD2 3.47Å |
| 1171 | A | 95.6 | Very high | 95.4 | Very high | 5 Ų | 5 | 56.9 Ų | 56.9 | 4% | 0.041 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 148.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | N1160 P1169 D1176 L1177 V1196 | N1160-A1171 PolarHBondContact ND2-O 3.02Å; N1160-A1171 PolarHBondContact OD1-N 3.22Å; P1169-A1171 PolarHBondContact O-N 2.85Å; A1171-D1176 HydrophobicContact CB-CB 3.9Å; A1171-L1177 HydrophobicContact CB-CD2 3.88Å; A1171-L1177 HydrophobicContact CB-CG 4.35Å; A1171-V1196 HydrophobicContact CB-CB 4.37Å; A1171-V1196 HydrophobicContact CB-CG2 4.28Å; A1171-V1196 WeakPolarHBondContact O-CG2 3.49Å |
| 1172 | K | 95.3 | Very high | 95.2 | Very high | 152 Ų | 152 | 59.7 Ų | 59.7 | 66% | 0.661 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -113.1 | -30.1 | 169.1 | -62.4 | -178.4 | -178.8 | 179.9 | 0 | 111.5 | D1176 | K1172-D1176 PolarHBondContact N-OD2 3.47Š|
| 1173 | H | 95.9 | Very high | 95.1 | Very high | 119 Ų | 119 | 63.8 Ų | 63.8 | 55% | 0.551 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -131.2 | 153.2 | 179.2 | -53 | -59.4 | 0 | 0 | 0 | 110 | T1175 D1176 V1196 | H1173-T1175 WeakPolarHBondContact CB-OG1 3.1Å; H1173-T1175 PolarHBondContact O-N 2.79Å; H1173-D1176 PolarHBondContact N-OD2 2.86Å; H1173-D1176 VanDerWaalsContact O-CB 3.28Å; H1173-D1176 WeakPolarHBondContact O-CB 3.35Å; H1173-D1176 VanDerWaalsContact O-CG 3.23Å; H1173-D1176 PolarHBondContact O-N 3.49Å; H1173-V1196 VanDerWaalsContact C-CG1 3.45Å |
| 1174 | F | 96.4 | Very high | 95 | Very high | 27 Ų | 27 | 67.6 Ų | 67.6 | 12% | 0.118 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -58.5 | -32.4 | -179 | -68.1 | -80.6 | 0 | 0 | 0 | 112.2 | D1176 L1177 V1186 F1189 Y1193 V1196 I1199 | F1174-D1176 PolarHBondContact O-N 3.1Å; F1174-D1176 VanDerWaalsContact O-N 3.15Å; F1174-L1177 WeakPolarHBondContact O-CB 3Å; F1174-L1177 PolarHBondContact O-N 2.79Å; F1174-L1177 VanDerWaalsContact O-N 3.07Å; F1174-V1186 HydrophobicContact CB-CG1 4.1Å; F1174-V1186 WeakPolarHBondContact O-CG1 3.06Å; F1174-F1189 HydrophobicContact CD1-CB 3.94Å; F1174-F1189 HydrophobicContact CE1-CB 4.02Å; F1174-Y1193 VanDerWaalsContact CZ-O 3.29Å; F1174-Y1193 WeakPolarHBondContact CZ-O 3.44Å; F1174-V1196 HydrophobicContact CB-CG1 4.38Å; F1174-V1196 HydrophobicContact CD1-CG1 3.71Å; F1174-V1196 HydrophobicContact CD2-CG1 4.14Å; F1174-V1196 HydrophobicContact CE1-CG1 3.92Å; F1174-V1196 HydrophobicContact CE2-CG1 4.33Å; F1174-V1196 HydrophobicContact CG-CG1 3.81Å; F1174-V1196 HydrophobicContact CZ-CG1 4.22Å; F1174-I1199 HydrophobicContact CD1-CD1 4.33Å; F1174-I1199 HydrophobicContact CE1-CD1 3.99Å; F1174-I1199 HydrophobicContact CE1-CG1 4.32Å |
| 1175 | T | 96 | Very high | 94.9 | Very high | 97 Ų | 97 | 62 Ų | 62 | 60% | 0.595 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -53.8 | -28.8 | 172.7 | 46.6 | 0 | 0 | 0 | 0 | 114.1 | H1173 L1177 V1178 | H1173-T1175 WeakPolarHBondContact CB-OG1 3.1Å; H1173-T1175 PolarHBondContact O-N 2.79Å; T1175-L1177 PolarHBondContact O-N 3.37Å; T1175-V1178 WeakPolarHBondContact O-CB 3.43Å; T1175-V1178 WeakPolarHBondContact O-CG2 3.38Å; T1175-V1178 PolarHBondContact O-N 2.86Å |
| 1176 | D | 96.2 | Very high | 95 | Very high | 62 Ų | 62 | 58.5 Ų | 58.5 | 33% | 0.332 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -70.9 | -12.2 | -178.3 | -50.2 | -16 | 0 | 0 | 0 | 112.2 | A1171 K1172 H1173 F1174 | A1171-D1176 HydrophobicContact CB-CB 3.9Å; K1172-D1176 PolarHBondContact N-OD2 3.47Å; H1173-D1176 PolarHBondContact N-OD2 2.86Å; H1173-D1176 VanDerWaalsContact O-CB 3.28Å; H1173-D1176 WeakPolarHBondContact O-CB 3.35Å; H1173-D1176 VanDerWaalsContact O-CG 3.23Å; H1173-D1176 PolarHBondContact O-N 3.49Å; F1174-D1176 PolarHBondContact O-N 3.1Å; F1174-D1176 VanDerWaalsContact O-N 3.15Å |
| 1177 | L | 96.2 | Very high | 95 | Very high | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -89.6 | -9.1 | 176.8 | -57 | 178.8 | 0 | 0 | 0 | 113.3 | Y1159 A1171 F1174 T1175 D1179 S1180 M1181 V1186 I1199 | Y1159-L1177 HydrophobicContact CE1-CD2 4.09Å; A1171-L1177 HydrophobicContact CB-CD2 3.88Å; A1171-L1177 HydrophobicContact CB-CG 4.35Å; F1174-L1177 WeakPolarHBondContact O-CB 3Å; F1174-L1177 PolarHBondContact O-N 2.79Å; F1174-L1177 VanDerWaalsContact O-N 3.07Å; T1175-L1177 PolarHBondContact O-N 3.37Å; L1177-D1179 PolarHBondContact O-N 3.17Å; L1177-D1179 VanDerWaalsContact O-N 3.15Å; L1177-S1180 PolarHBondContact O-N 3.08Å; L1177-S1180 PolarHBondContact O-OG 2.97Å; L1177-M1181 HydrophobicContact CB-CG 4.46Å; L1177-M1181 HydrophobicContact CB-SD 4.28Å; L1177-M1181 HydrophobicContact CD1-SD 4.3Å; L1177-M1181 WeakPolarHBondContact O-CB 3.41Å; L1177-M1181 PolarHBondContact O-N 2.84Å; L1177-V1186 HydrophobicContact CB-CG2 4.07Å; L1177-I1199 HydrophobicContact CD1-CD1 3.9Å |
| 1178 | V | 94.4 | Very high | 95 | Very high | 58 Ų | 58 | 60.9 Ų | 60.9 | 35% | 0.352 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -21.2 | 176.6 | 174.2 | 0 | 0 | 0 | 0 | 111.6 | T1175 S1180 D1183 V1186 R1209 | T1175-V1178 WeakPolarHBondContact O-CB 3.43Å; T1175-V1178 WeakPolarHBondContact O-CG2 3.38Å; T1175-V1178 PolarHBondContact O-N 2.86Å; V1178-S1180 PolarHBondContact O-N 2.78Å; V1178-D1183 WeakPolarHBondContact CG1-OD1 3.33Å; V1178-V1186 HydrophobicContact CG2-CB 4.29Å; V1178-V1186 HydrophobicContact CG2-CG1 4.08Å; V1178-V1186 HydrophobicContact CG2-CG2 3.92Å; V1178-R1209 PolarHBondContact O-NH2 3.33Å |
| 1179 | D | 89.9 | Confident | 95.1 | Very high | 98 Ų | 98 | 58.7 Ų | 58.7 | 52% | 0.524 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -34.4 | 173.1 | 78.9 | -33.6 | 0 | 0 | 0 | 113 | R1163 L1177 R1209 | R1163-D1179 IonicContact CZ-OD1 3.96Å; R1163-D1179 IonicContact NH1-OD1 3.48Å; R1163-D1179 IonicContact NH2-OD1 3.39Å; R1163-D1179 PolarHBondContact NH2-OD1 3.1Å; R1163-D1179 VanDerWaalsContact NH2-OD1 3.13Å; R1163-D1179 IonicContact NH2-OD2 2.73Å; R1163-D1179 PolarHBondContact NH2-OD2 3.4Å; L1177-D1179 PolarHBondContact O-N 3.17Å; L1177-D1179 VanDerWaalsContact O-N 3.15Å; D1179-R1209 PolarHBondContact O-NH2 3.41Å |
| 1180 | S | 92.2 | Very high | 95.2 | Very high | 14 Ų | 14 | 57 Ų | 57 | 10% | 0.098 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.8 | -15.1 | -164.8 | 49.3 | 0 | 0 | 0 | 0 | 113.9 | R1163 L1177 V1178 E1208 R1209 | R1163-S1180 PolarHBondContact NH1-OG 3.16Å; L1177-S1180 PolarHBondContact O-N 3.08Å; L1177-S1180 PolarHBondContact O-OG 2.97Å; V1178-S1180 PolarHBondContact O-N 2.78Å; S1180-E1208 CarbonylContact O-C 3.59Å; S1180-E1208 WeakPolarHBondContact O-CA 3.39Å; S1180-R1209 PolarHBondContact O-N 3.06Å |
| 1181 | M | 95.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -124.7 | 154.9 | 178.4 | -54.6 | -171.2 | 173.9 | 0 | 0 | 110.8 | Y1159 L1177 A1185 V1186 F1189 G1204 S1207 E1208 R1209 | Y1159-M1181 HydrophobicContact CD1-CE 4.27Å; Y1159-M1181 HydrophobicContact CE1-CE 3.42Å; Y1159-M1181 VanDerWaalsContact CE1-CE 3.42Å; Y1159-M1181 HydrophobicContact CE2-CE 4.31Å; Y1159-M1181 VanDerWaalsContact CZ-CE 3.47Å; Y1159-M1181 WeakPolarHBondContact OH-CE 3.46Å; L1177-M1181 HydrophobicContact CB-CG 4.46Å; L1177-M1181 HydrophobicContact CB-SD 4.28Å; L1177-M1181 HydrophobicContact CD1-SD 4.3Å; L1177-M1181 WeakPolarHBondContact O-CB 3.41Å; L1177-M1181 PolarHBondContact O-N 2.84Å; M1181-A1185 HydrophobicContact CB-CB 4.45Å; M1181-V1186 HydrophobicContact CB-CG2 4.02Å; M1181-F1189 HydrophobicContact CE-CE2 4.38Å; M1181-F1189 HydrophobicContact SD-CD2 4.12Å; M1181-F1189 HydrophobicContact SD-CE2 3.6Å; M1181-F1189 VanDerWaalsContact SD-CE2 3.6Å; M1181-G1204 VanDerWaalsContact CE-O 3.28Å; M1181-G1204 WeakPolarHBondContact CE-O 3.36Å; M1181-S1207 WeakPolarHBondContact CG-O 3.49Å; M1181-E1208 HydrophobicContact CE-CG 4.01Å; M1181-R1209 PolarHBondContact O-NH1 2.9Å; M1181-R1209 PolarHBondContact O-NH2 3.2Å |
| 1182 | D | 93.4 | Very high | 95.1 | Very high | 91 Ų | 91 | 59.8 Ų | 59.8 | 49% | 0.487 | 31% | 0.311 | S | S | . | . | trans | -74.1 | 148.1 | 176.4 | -61.8 | -24.6 | 0 | 0 | 0 | 111 | D1184 A1185 V1186 R1209 | D1182-D1184 PolarHBondContact O-N 3.05Å; D1182-D1184 VanDerWaalsContact O-N 3.09Å; D1182-A1185 WeakPolarHBondContact O-CA 3.45Å; D1182-A1185 WeakPolarHBondContact O-CB 3.3Å; D1182-A1185 PolarHBondContact O-N 2.69Å; D1182-V1186 PolarHBondContact O-N 2.85Å; D1182-R1209 VanDerWaalsContact OD1-CD 3.28Å; D1182-R1209 WeakPolarHBondContact OD1-CD 3.44Å; D1182-R1209 IonicContact OD1-CZ 3.53Å; D1182-R1209 IonicContact OD1-NE 3.54Å; D1182-R1209 IonicContact OD1-NH1 2.75Å; D1182-R1209 PolarHBondContact OD1-NH1 3.4Å | ||
| 1183 | D | 95 | Very high | 95.2 | Very high | 87 Ų | 87 | 52.9 Ų | 52.9 | 47% | 0.465 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -55.3 | -35.4 | -175.4 | -57.3 | -37.6 | 0 | 0 | 0 | 112.4 | V1178 A1185 V1186 R1187 | V1178-D1183 WeakPolarHBondContact CG1-OD1 3.33Å; D1183-A1185 VanDerWaalsContact C-N 3.25Å; D1183-A1185 PolarHBondContact O-N 3.07Å; D1183-V1186 PolarHBondContact O-N 3.25Å; D1183-R1187 VanDerWaalsContact CB-NH1 3.25Å; D1183-R1187 WeakPolarHBondContact O-CB 3.4Å; D1183-R1187 WeakPolarHBondContact O-CG 3.38Å; D1183-R1187 PolarHBondContact O-N 2.72Å; D1183-R1187 PolarHBondContact O-NH1 2.84Å |
| 1184 | D | 94 | Very high | 95 | Very high | 82 Ų | 82 | 53 Ų | 53 | 44% | 0.439 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.5 | -29.1 | 175.5 | -80.7 | 26.6 | 0 | 0 | 0 | 113.1 | R1120 D1182 R1187 A1188 | R1120-D1184 PolarHBondContact NH1-O 3.38Å; D1182-D1184 PolarHBondContact O-N 3.05Å; D1182-D1184 VanDerWaalsContact O-N 3.09Å; D1184-R1187 IonicContact OD1-CZ 3.35Å; D1184-R1187 IonicContact OD1-NH1 2.78Å; D1184-R1187 PolarHBondContact OD1-NH1 3.07Å; D1184-R1187 IonicContact OD1-NH2 2.76Å; D1184-R1187 PolarHBondContact OD1-NH2 3.23Å; D1184-A1188 VanDerWaalsContact O-CB 3.31Å; D1184-A1188 WeakPolarHBondContact O-CB 3.43Å; D1184-A1188 PolarHBondContact O-N 2.76Å |
| 1185 | A | 95.5 | Very high | 95 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 3% | 0.025 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -81.8 | -42.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | M794 R1120 M1181 D1182 D1183 R1187 A1188 F1189 | M794-A1185 HydrophobicContact CE-CB 4.46Å; R1120-A1185 VanDerWaalsContact NH1-CA 3.31Å; M1181-A1185 HydrophobicContact CB-CB 4.45Å; D1182-A1185 WeakPolarHBondContact O-CA 3.45Å; D1182-A1185 WeakPolarHBondContact O-CB 3.3Å; D1182-A1185 PolarHBondContact O-N 2.69Å; D1183-A1185 VanDerWaalsContact C-N 3.25Å; D1183-A1185 PolarHBondContact O-N 3.07Å; A1185-R1187 PolarHBondContact O-N 2.88Å; A1185-A1188 WeakPolarHBondContact O-CB 3.44Å; A1185-A1188 PolarHBondContact O-N 3.18Å; A1185-A1188 VanDerWaalsContact O-N 3.13Å; A1185-F1189 WeakPolarHBondContact O-CD2 3.28Å; A1185-F1189 PolarHBondContact O-N 2.78Å |
| 1186 | V | 97.1 | Very high | 94.9 | Very high | 10 Ų | 10 | 50.6 Ų | 50.6 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 176.4 | 177.3 | 0 | 0 | 0 | 0 | 111.6 | F1174 L1177 V1178 M1181 D1182 D1183 A1188 F1189 S1190 | F1174-V1186 HydrophobicContact CB-CG1 4.1Å; F1174-V1186 WeakPolarHBondContact O-CG1 3.06Å; L1177-V1186 HydrophobicContact CB-CG2 4.07Å; V1178-V1186 HydrophobicContact CG2-CB 4.29Å; V1178-V1186 HydrophobicContact CG2-CG1 4.08Å; V1178-V1186 HydrophobicContact CG2-CG2 3.92Å; M1181-V1186 HydrophobicContact CB-CG2 4.02Å; D1182-V1186 PolarHBondContact O-N 2.85Å; D1183-V1186 PolarHBondContact O-N 3.25Å; V1186-A1188 VanDerWaalsContact C-N 3.31Å; V1186-A1188 PolarHBondContact O-N 2.85Å; V1186-F1189 PolarHBondContact O-N 2.82Å; V1186-S1190 WeakPolarHBondContact O-CB 3.1Å; V1186-S1190 PolarHBondContact O-N 3.37Å |
| 1187 | R | 96.4 | Very high | 94.9 | Very high | 132 Ų | 132 | 49.8 Ų | 49.8 | 50% | 0.498 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.2 | -34.6 | 174.6 | -65.1 | -168.9 | -46.3 | -80.7 | 2.6 | 112.2 | D1183 D1184 A1185 N1191 | D1183-R1187 VanDerWaalsContact CB-NH1 3.25Å; D1183-R1187 WeakPolarHBondContact O-CB 3.4Å; D1183-R1187 WeakPolarHBondContact O-CG 3.38Å; D1183-R1187 PolarHBondContact O-N 2.72Å; D1183-R1187 PolarHBondContact O-NH1 2.84Å; D1184-R1187 IonicContact OD1-CZ 3.35Å; D1184-R1187 IonicContact OD1-NH1 2.78Å; D1184-R1187 PolarHBondContact OD1-NH1 3.07Å; D1184-R1187 IonicContact OD1-NH2 2.76Å; D1184-R1187 PolarHBondContact OD1-NH2 3.23Å; A1185-R1187 PolarHBondContact O-N 2.88Å; R1187-N1191 WeakPolarHBondContact O-CB 3.35Å; R1187-N1191 PolarHBondContact O-N 3.32Å; R1187-N1191 PolarHBondContact O-ND2 2.68Å; R1187-N1191 PolarHBondContact O-OD1 3.01Å |
| 1188 | A | 96.1 | Very high | 94.9 | Very high | 9 Ų | 9 | 49.9 Ų | 49.9 | 7% | 0.074 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.3 | -40.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V793 M794 D1184 A1185 V1186 N1191 L1192 | V793-A1188 HydrophobicContact CG1-CB 4.09Å; M794-A1188 HydrophobicContact CE-CB 4.15Å; M794-A1188 HydrophobicContact SD-CB 3.57Å; M794-A1188 VanDerWaalsContact SD-CB 3.57Å; D1184-A1188 VanDerWaalsContact O-CB 3.31Å; D1184-A1188 WeakPolarHBondContact O-CB 3.43Å; D1184-A1188 PolarHBondContact O-N 2.76Å; A1185-A1188 WeakPolarHBondContact O-CB 3.44Å; A1185-A1188 PolarHBondContact O-N 3.18Å; A1185-A1188 VanDerWaalsContact O-N 3.13Å; V1186-A1188 VanDerWaalsContact C-N 3.31Å; V1186-A1188 PolarHBondContact O-N 2.85Å; A1188-N1191 PolarHBondContact O-N 3.04Å; A1188-L1192 WeakPolarHBondContact O-CG 3.48Å; A1188-L1192 PolarHBondContact O-N 2.74Å |
| 1189 | F | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.4 | -45.6 | 172.3 | -75.5 | -61.4 | 0 | 0 | 0 | 112.5 | M794 F1174 M1181 A1185 V1186 N1191 L1192 Y1193 I1199 P1203 | M794-F1189 HydrophobicContact CE-CD1 4Å; M794-F1189 HydrophobicContact CE-CD2 3.82Å; M794-F1189 HydrophobicContact CE-CE1 3.68Å; M794-F1189 HydrophobicContact CE-CE2 3.48Å; M794-F1189 VanDerWaalsContact CE-CE2 3.48Å; M794-F1189 HydrophobicContact CE-CG 4.06Å; M794-F1189 HydrophobicContact CE-CZ 3.41Å; M794-F1189 VanDerWaalsContact CE-CZ 3.41Å; M794-F1189 HydrophobicContact CG-CE1 4.22Å; M794-F1189 HydrophobicContact SD-CD1 3.82Å; M794-F1189 HydrophobicContact SD-CD2 4.46Å; M794-F1189 HydrophobicContact SD-CE1 3.9Å; M794-F1189 HydrophobicContact SD-CG 4.1Å; M794-F1189 HydrophobicContact SD-CZ 4.27Å; F1174-F1189 HydrophobicContact CD1-CB 3.94Å; F1174-F1189 HydrophobicContact CE1-CB 4.02Å; M1181-F1189 HydrophobicContact CE-CE2 4.38Å; M1181-F1189 HydrophobicContact SD-CD2 4.12Å; M1181-F1189 HydrophobicContact SD-CE2 3.6Å; M1181-F1189 VanDerWaalsContact SD-CE2 3.6Å; A1185-F1189 WeakPolarHBondContact O-CD2 3.28Å; A1185-F1189 PolarHBondContact O-N 2.78Å; V1186-F1189 PolarHBondContact O-N 2.82Å; F1189-N1191 PolarHBondContact O-N 2.79Å; F1189-N1191 VanDerWaalsContact O-N 3.16Å; F1189-L1192 PolarHBondContact O-N 2.89Å; F1189-Y1193 AromaticContact CD1-CD2 4Å; F1189-Y1193 HydrophobicContact CD1-CD2 4Å; F1189-Y1193 AromaticContact CD1-CE2 3.84Å; F1189-Y1193 HydrophobicContact CD1-CE2 3.84Å; F1189-Y1193 HydrophobicContact CE1-CE2 4.27Å; F1189-Y1193 PolarHBondContact O-N 3.35Å; F1189-I1199 HydrophobicContact CB-CD1 4.3Å; F1189-I1199 HydrophobicContact CD1-CD1 4.12Å; F1189-I1199 HydrophobicContact CD1-CG1 4.11Å; F1189-I1199 HydrophobicContact CD1-CG2 3.91Å; F1189-I1199 HydrophobicContact CE1-CG2 3.54Å; F1189-I1199 HydrophobicContact CG-CD1 4.14Å; F1189-I1199 HydrophobicContact CZ-CG2 4.13Å; F1189-P1203 HydrophobicContact CE1-CB 4.14Å; F1189-P1203 HydrophobicContact CZ-CB 4.36Å |
| 1190 | S | 95.8 | Very high | 95.4 | Very high | 59 Ų | 59 | 42.6 Ų | 42.6 | 41% | 0.413 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.1 | -15.1 | 179.2 | -168.8 | 0 | 0 | 0 | 0 | 114.1 | V1186 | V1186-S1190 WeakPolarHBondContact O-CB 3.1Å; V1186-S1190 PolarHBondContact O-N 3.37Å |
| 1191 | N | 94.6 | Very high | 95.7 | Very high | 135 Ų | 135 | 42 Ų | 42 | 72% | 0.722 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -0.3 | 174.8 | -69.5 | -2 | 0 | 0 | 0 | 113 | R1187 A1188 F1189 | R1187-N1191 WeakPolarHBondContact O-CB 3.35Å; R1187-N1191 PolarHBondContact O-N 3.32Å; R1187-N1191 PolarHBondContact O-ND2 2.68Å; R1187-N1191 PolarHBondContact O-OD1 3.01Å; A1188-N1191 PolarHBondContact O-N 3.04Å; F1189-N1191 PolarHBondContact O-N 2.79Å; F1189-N1191 VanDerWaalsContact O-N 3.16Å |
| 1192 | L | 94.7 | Very high | 95.8 | Very high | 19 Ų | 19 | 42 Ų | 42 | 10% | 0.099 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | -40.3 | -176.3 | -82.2 | 174.4 | 0 | 0 | 0 | 113.7 | P785 K789 V790 V793 M794 A1188 F1189 | P785-L1192 WeakPolarHBondContact CG-O 3.41Å; K789-L1192 HydrophobicContact CG-CD2 4.24Å; V790-L1192 HydrophobicContact CB-CD1 4.48Å; V790-L1192 HydrophobicContact CG1-CD1 4.24Å; V793-L1192 HydrophobicContact CB-CD1 3.92Å; V793-L1192 HydrophobicContact CB-CD2 4.01Å; V793-L1192 HydrophobicContact CB-CG 4.12Å; V793-L1192 HydrophobicContact CG1-CD1 3.82Å; V793-L1192 HydrophobicContact CG1-CD2 4.26Å; V793-L1192 HydrophobicContact CG1-CG 3.89Å; V793-L1192 HydrophobicContact CG2-CD2 4.14Å; M794-L1192 HydrophobicContact CG-CD1 3.55Å; M794-L1192 HydrophobicContact SD-CD1 3.7Å; A1188-L1192 WeakPolarHBondContact O-CG 3.48Å; A1188-L1192 PolarHBondContact O-N 2.74Å; F1189-L1192 PolarHBondContact O-N 2.89Å |
| 1193 | Y | 96.3 | Very high | 96 | Very high | 7 Ų | 7 | 37.7 Ų | 37.7 | 3% | 0.027 | 19% | 0.191 | C | C | . | . | trans | -114.1 | 143.5 | -174.3 | -64.8 | -86.1 | 0 | 0 | 0 | 109.7 | P785 V790 F1174 F1189 D1198 I1199 D1200 | P785-Y1193 HydrophobicContact CG-CD1 4.08Å; P785-Y1193 HydrophobicContact CG-CE1 3.94Å; V790-Y1193 HydrophobicContact CG1-CE2 4.4Å; V790-Y1193 WeakPolarHBondContact CG1-OH 3.38Å; F1174-Y1193 VanDerWaalsContact CZ-O 3.29Å; F1174-Y1193 WeakPolarHBondContact CZ-O 3.44Å; F1189-Y1193 AromaticContact CD1-CD2 4Å; F1189-Y1193 HydrophobicContact CD1-CD2 4Å; F1189-Y1193 AromaticContact CD1-CE2 3.84Å; F1189-Y1193 HydrophobicContact CD1-CE2 3.84Å; F1189-Y1193 HydrophobicContact CE1-CE2 4.27Å; F1189-Y1193 PolarHBondContact O-N 3.35Å; Y1193-D1198 HydrophobicContact CD1-CB 3.67Å; Y1193-D1198 WeakPolarHBondContact CE1-O 3.39Å; Y1193-D1198 HydrophobicContact CG-CB 4.33Å; Y1193-I1199 HydrophobicContact CD2-CG1 4.05Å; Y1193-I1199 HydrophobicContact CE2-CG1 4.42Å; Y1193-I1199 HydrophobicContact CG-CG1 4.24Å; Y1193-D1200 PolarHBondContact OH-N 3.12Å; Y1193-D1200 PolarHBondContact OH-OD2 3.18Å | ||
| 1194 | H | 93.4 | Very high | 96.1 | Very high | 121 Ų | 121 | 33.6 Ų | 33.6 | 56% | 0.56 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -73.2 | -36.7 | 179.9 | -75.6 | -145.7 | 0 | 0 | 0 | 111.1 | D780 S782 | D780-H1194 IonicContact OD1-ND1 3.69Å; D780-H1194 IonicContact OD2-CE1 2.91Å; D780-H1194 IonicContact OD2-CG 3.11Å; D780-H1194 IonicContact OD2-ND1 3.97Å; D780-H1194 PolarHBondContact OD2-ND1 3Å; S782-H1194 PolarHBondContact OG-CE1 3.47Å; S782-H1194 PolarHBondContact OG-ND1 2.88Å |
| 1195 | H | 95 | Very high | 96.3 | Very high | 71 Ų | 71 | 29.7 Ų | 29.7 | 33% | 0.329 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -138.6 | 157.1 | -179.7 | -175.6 | -118.5 | 0 | 0 | 0 | 112.7 | S779 D1197 D1198 | S779-H1195 WeakPolarHBondContact OG-CB 3.36Å; S779-H1195 PolarHBondContact OG-ND1 3.45Å; H1195-D1197 IonicContact CE1-OD2 3.29Å; H1195-D1197 PolarHBondContact CE1-OD2 3.17Å; H1195-D1197 IonicContact ND1-OD2 3.71Å; H1195-D1197 PolarHBondContact O-N 3.39Å; H1195-D1198 WeakPolarHBondContact CA-OD2 3.42Å; H1195-D1198 WeakPolarHBondContact CB-OD2 3.33Å; H1195-D1198 PolarHBondContact N-OD2 3.07Å; H1195-D1198 WeakPolarHBondContact O-CB 3.46Å; H1195-D1198 PolarHBondContact O-N 2.95Å; H1195-D1198 VanDerWaalsContact O-N 3.07Å |
| 1196 | V | 95.2 | Very high | 96.3 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -22.2 | -175.4 | -70.2 | 0 | 0 | 0 | 0 | 114.3 | A1171 H1173 F1174 D1198 | A1171-V1196 HydrophobicContact CB-CB 4.37Å; A1171-V1196 HydrophobicContact CB-CG2 4.28Å; A1171-V1196 WeakPolarHBondContact O-CG2 3.49Å; H1173-V1196 VanDerWaalsContact C-CG1 3.45Å; F1174-V1196 HydrophobicContact CB-CG1 4.38Å; F1174-V1196 HydrophobicContact CD1-CG1 3.71Å; F1174-V1196 HydrophobicContact CD2-CG1 4.14Å; F1174-V1196 HydrophobicContact CE1-CG1 3.92Å; F1174-V1196 HydrophobicContact CE2-CG1 4.33Å; F1174-V1196 HydrophobicContact CG-CG1 3.81Å; F1174-V1196 HydrophobicContact CZ-CG1 4.22Å; V1196-D1198 VanDerWaalsContact C-N 3.29Å |
| 1197 | D | 95.3 | Very high | 96.3 | Very high | 45 Ų | 45 | 29.7 Ų | 29.7 | 24% | 0.241 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -16.6 | 174.8 | -74.3 | -25.3 | 0 | 0 | 0 | 113.1 | N1160 K1170 H1195 | N1160-D1197 WeakPolarHBondContact CB-OD1 3.43Å; N1160-D1197 PolarHBondContact ND2-OD1 2.79Å; K1170-D1197 WeakPolarHBondContact CE-OD1 3.37Å; K1170-D1197 WeakPolarHBondContact CE-OD2 3.38Å; K1170-D1197 VanDerWaalsContact NZ-CG 3.26Å; K1170-D1197 IonicContact NZ-OD1 3.9Å; K1170-D1197 PolarHBondContact NZ-OD1 3.41Å; K1170-D1197 IonicContact NZ-OD2 2.76Å; K1170-D1197 PolarHBondContact NZ-OD2 3.47Å; H1195-D1197 IonicContact CE1-OD2 3.29Å; H1195-D1197 PolarHBondContact CE1-OD2 3.17Å; H1195-D1197 IonicContact ND1-OD2 3.71Å; H1195-D1197 PolarHBondContact O-N 3.39Å |
| 1198 | D | 95.7 | Very high | 96.3 | Very high | 4 Ų | 4 | 23.6 Ų | 23.6 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -24.1 | -176.7 | -52.1 | -35.8 | 0 | 0 | 0 | 112.3 | R775 S778 S779 L784 Y1193 H1195 V1196 D1200 | R775-D1198 PolarHBondContact NH1-O 2.96Å; R775-D1198 PolarHBondContact NH2-O 3.01Å; S778-D1198 PolarHBondContact OG-OD2 3.17Å; S778-D1198 VanDerWaalsContact OG-OD2 3.13Å; S779-D1198 WeakPolarHBondContact CB-OD1 3.41Å; S779-D1198 PolarHBondContact N-OD1 3.01Å; S779-D1198 PolarHBondContact OG-OD1 3.28Å; L784-D1198 HydrophobicContact CD2-CB 3.9Å; Y1193-D1198 HydrophobicContact CD1-CB 3.67Å; Y1193-D1198 WeakPolarHBondContact CE1-O 3.39Å; Y1193-D1198 HydrophobicContact CG-CB 4.33Å; H1195-D1198 WeakPolarHBondContact CA-OD2 3.42Å; H1195-D1198 WeakPolarHBondContact CB-OD2 3.33Å; H1195-D1198 PolarHBondContact N-OD2 3.07Å; H1195-D1198 WeakPolarHBondContact O-CB 3.46Å; H1195-D1198 PolarHBondContact O-N 2.95Å; H1195-D1198 VanDerWaalsContact O-N 3.07Å; V1196-D1198 VanDerWaalsContact C-N 3.29Å; D1198-D1200 PolarHBondContact O-N 3.34Å; D1198-D1200 VanDerWaalsContact O-N 3.16Å |
| 1199 | I | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -51.3 | 117.1 | -175.6 | -60.1 | 174 | 0 | 0 | 0 | 110.8 | G1158 Y1159 F1174 L1177 F1189 Y1193 | G1158-I1199 CarbonylContact C-O 3.09Å; G1158-I1199 VanDerWaalsContact CA-O 3.24Å; G1158-I1199 WeakPolarHBondContact CA-O 3.2Å; Y1159-I1199 HydrophobicContact CD1-CG2 4.38Å; Y1159-I1199 HydrophobicContact CG-CG2 4.5Å; Y1159-I1199 PolarHBondContact N-O 3.07Å; F1174-I1199 HydrophobicContact CD1-CD1 4.33Å; F1174-I1199 HydrophobicContact CE1-CD1 3.99Å; F1174-I1199 HydrophobicContact CE1-CG1 4.32Å; L1177-I1199 HydrophobicContact CD1-CD1 3.9Å; F1189-I1199 HydrophobicContact CB-CD1 4.3Å; F1189-I1199 HydrophobicContact CD1-CD1 4.12Å; F1189-I1199 HydrophobicContact CD1-CG1 4.11Å; F1189-I1199 HydrophobicContact CD1-CG2 3.91Å; F1189-I1199 HydrophobicContact CE1-CG2 3.54Å; F1189-I1199 HydrophobicContact CG-CD1 4.14Å; F1189-I1199 HydrophobicContact CZ-CG2 4.13Å; Y1193-I1199 HydrophobicContact CD2-CG1 4.05Å; Y1193-I1199 HydrophobicContact CE2-CG1 4.42Å; Y1193-I1199 HydrophobicContact CG-CG1 4.24Å |
| 1200 | D | 97.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | trans | -60.5 | 146.1 | 176.1 | -68 | -71.8 | 0 | 0 | 0 | 111.6 | R775 I1148 R1152 Y1193 D1198 F1202 P1203 G1204 | R775-D1200 IonicContact CZ-OD1 4Å; R775-D1200 VanDerWaalsContact NH2-CG 3.33Å; R775-D1200 IonicContact NH2-OD1 3.24Å; R775-D1200 PolarHBondContact NH2-OD1 3.19Å; R775-D1200 IonicContact NH2-OD2 3.05Å; I1148-D1200 HydrophobicContact CG2-CB 4.2Å; I1148-D1200 WeakPolarHBondContact CG2-OD2 3.45Å; R1152-D1200 WeakPolarHBondContact CG-OD1 3.19Å; R1152-D1200 IonicContact CZ-OD1 2.63Å; R1152-D1200 IonicContact CZ-OD2 2.84Å; R1152-D1200 IonicContact NE-OD1 3.37Å; R1152-D1200 PolarHBondContact NE-OD1 3.17Å; R1152-D1200 IonicContact NE-OD2 3.42Å; R1152-D1200 PolarHBondContact NE-OD2 3.15Å; R1152-D1200 VanDerWaalsContact NE-OD2 3.15Å; R1152-D1200 IonicContact NH2-OD1 2.71Å; R1152-D1200 IonicContact NH2-OD2 3.02Å; R1152-D1200 PolarHBondContact NH2-OD2 3.06Å; Y1193-D1200 PolarHBondContact OH-N 3.12Å; Y1193-D1200 PolarHBondContact OH-OD2 3.18Å; D1198-D1200 PolarHBondContact O-N 3.34Å; D1198-D1200 VanDerWaalsContact O-N 3.16Å; D1200-F1202 PolarHBondContact O-N 2.92Å; D1200-P1203 HydrophobicContact CB-CG 3.91Å; D1200-P1203 VanDerWaalsContact O-CD 3.24Å; D1200-P1203 WeakPolarHBondContact O-CD 3.23Å; D1200-P1203 VanDerWaalsContact O-CG 3.29Å; D1200-P1203 WeakPolarHBondContact O-CG 3.39Å; D1200-G1204 PolarHBondContact O-N 2.9Å | ||
| 1201 | L | 97.9 | Very high | 96 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.7 | -47.8 | -171.3 | -177.7 | 58.6 | 0 | 0 | 0 | 113.2 | E1052 A1056 I1156 Y1159 Y1162 G1204 L1205 | E1052-L1201 HydrophobicContact CB-CD2 4.41Å; E1052-L1201 HydrophobicContact CG-CD2 4.43Å; A1056-L1201 HydrophobicContact CB-CB 4.13Å; A1056-L1201 HydrophobicContact CB-CD2 3.72Å; A1056-L1201 HydrophobicContact CB-CG 3.78Å; I1156-L1201 HydrophobicContact CG2-CB 4.02Å; I1156-L1201 HydrophobicContact CG2-CD2 3.63Å; I1156-L1201 HydrophobicContact CG2-CG 4.48Å; Y1159-L1201 HydrophobicContact CD2-CD1 4.3Å; Y1162-L1201 HydrophobicContact CD2-CD1 3.62Å; Y1162-L1201 HydrophobicContact CD2-CD2 3.88Å; Y1162-L1201 HydrophobicContact CD2-CG 4.29Å; Y1162-L1201 HydrophobicContact CE2-CD1 4.4Å; Y1162-L1201 HydrophobicContact CE2-CD2 3.87Å; Y1162-L1201 HydrophobicContact CG-CD1 3.89Å; Y1162-L1201 HydrophobicContact CG-CD2 4.31Å; L1201-G1204 PolarHBondContact O-N 2.7Å; L1201-L1205 HydrophobicContact CD1-CD1 3.82Å; L1201-L1205 HydrophobicContact CD1-CD2 3.96Å; L1201-L1205 HydrophobicContact CD1-CG 3.7Å; L1201-L1205 HydrophobicContact CD2-CD1 4.34Å; L1201-L1205 HydrophobicContact CG-CD1 3.76Å; L1201-L1205 HydrophobicContact CG-CG 4.07Å; L1201-L1205 VanDerWaalsContact O-CG 3.32Å; L1201-L1205 WeakPolarHBondContact O-CG 3.46Å; L1201-L1205 PolarHBondContact O-N 3Å |
| 1202 | F | 97.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.3 | -56.5 | -177.5 | 176.3 | -102.7 | 0 | 0 | 0 | 114.1 | A1056 R1059 I1122 P1144 N1147 I1148 D1200 G1204 L1205 I1206 | A1056-F1202 HydrophobicContact CB-CB 4.3Å; R1059-F1202 HydrophobicContact CB-CD2 4.11Å; R1059-F1202 HydrophobicContact CB-CE2 3.82Å; I1122-F1202 HydrophobicContact CD1-CE1 4.41Å; I1122-F1202 HydrophobicContact CD1-CZ 4.29Å; P1144-F1202 HydrophobicContact CB-CE1 4.24Å; N1147-F1202 HydrophobicContact CB-CD1 3.9Å; N1147-F1202 HydrophobicContact CB-CD2 4.36Å; N1147-F1202 HydrophobicContact CB-CE1 4.15Å; N1147-F1202 HydrophobicContact CB-CG 4.02Å; N1147-F1202 HydrophobicContact CB-CZ 4.47Å; I1148-F1202 HydrophobicContact CG1-CD1 4.46Å; D1200-F1202 PolarHBondContact O-N 2.92Å; F1202-G1204 VanDerWaalsContact C-N 3.27Å; F1202-G1204 PolarHBondContact O-N 3.15Å; F1202-L1205 PolarHBondContact O-N 2.95Å; F1202-I1206 HydrophobicContact CE1-CD1 3.91Å; F1202-I1206 HydrophobicContact CE2-CD1 4.4Å; F1202-I1206 HydrophobicContact CE2-CG2 4.28Å; F1202-I1206 HydrophobicContact CZ-CD1 3.75Å; F1202-I1206 PolarHBondContact O-N 2.71Å |
| 1203 | P | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.3 | -34 | 179.4 | 22.6 | -33.1 | 0 | 0 | 0 | 112.6 | V790 M794 I1148 F1189 D1200 S1207 | V790-P1203 HydrophobicContact CG1-CG 4.31Å; M794-P1203 HydrophobicContact CG-CB 4.47Å; I1148-P1203 HydrophobicContact CD1-CG 4.27Å; I1148-P1203 HydrophobicContact CG1-CG 4.29Å; F1189-P1203 HydrophobicContact CE1-CB 4.14Å; F1189-P1203 HydrophobicContact CZ-CB 4.36Å; D1200-P1203 HydrophobicContact CB-CG 3.91Å; D1200-P1203 VanDerWaalsContact O-CD 3.24Å; D1200-P1203 WeakPolarHBondContact O-CD 3.23Å; D1200-P1203 VanDerWaalsContact O-CG 3.29Å; D1200-P1203 WeakPolarHBondContact O-CG 3.39Å; P1203-S1207 WeakPolarHBondContact O-CB 3.12Å; P1203-S1207 PolarHBondContact O-N 2.96Å; P1203-S1207 PolarHBondContact O-OG 2.88Å |
| 1204 | G | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61 | -50.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | M1181 D1200 L1201 F1202 I1206 S1207 | M1181-G1204 VanDerWaalsContact CE-O 3.28Å; M1181-G1204 WeakPolarHBondContact CE-O 3.36Å; D1200-G1204 PolarHBondContact O-N 2.9Å; L1201-G1204 PolarHBondContact O-N 2.7Å; F1202-G1204 VanDerWaalsContact C-N 3.27Å; F1202-G1204 PolarHBondContact O-N 3.15Å; G1204-I1206 PolarHBondContact O-N 3.21Å; G1204-S1207 PolarHBondContact O-N 3.31Å |
| 1205 | L | 97.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.7 | -36.6 | -177.4 | -69.4 | 179.9 | 0 | 0 | 0 | 114.1 | A1056 A1057 Y1159 L1201 F1202 T1219 L1220 I1223 | A1056-L1205 HydrophobicContact CB-CD1 4.34Å; A1057-L1205 HydrophobicContact CB-CD1 4.03Å; Y1159-L1205 HydrophobicContact CD2-CD2 4.31Å; Y1159-L1205 HydrophobicContact CE2-CD2 4.31Å; L1201-L1205 HydrophobicContact CD1-CD1 3.82Å; L1201-L1205 HydrophobicContact CD1-CD2 3.96Å; L1201-L1205 HydrophobicContact CD1-CG 3.7Å; L1201-L1205 HydrophobicContact CD2-CD1 4.34Å; L1201-L1205 HydrophobicContact CG-CD1 3.76Å; L1201-L1205 HydrophobicContact CG-CG 4.07Å; L1201-L1205 VanDerWaalsContact O-CG 3.32Å; L1201-L1205 WeakPolarHBondContact O-CG 3.46Å; L1201-L1205 PolarHBondContact O-N 3Å; F1202-L1205 PolarHBondContact O-N 2.95Å; L1205-T1219 HydrophobicContact CD2-CG2 3.68Å; L1205-L1220 HydrophobicContact CB-CB 4.29Å; L1205-L1220 HydrophobicContact CD1-CD1 4.22Å; L1205-L1220 HydrophobicContact CD2-CB 4.12Å; L1205-I1223 HydrophobicContact CD1-CD1 4.19Å; L1205-I1223 HydrophobicContact CD2-CD1 4.26Å |
| 1206 | I | 96.3 | Very high | 95.4 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 0.3 | 179.5 | 72 | 169.6 | 0 | 0 | 0 | 114.1 | F1060 F1118 D1119 R1120 I1122 F1202 G1204 | F1060-I1206 HydrophobicContact CB-CG2 4.39Å; F1118-I1206 HydrophobicContact CE2-CB 4.29Å; F1118-I1206 HydrophobicContact CE2-CG2 4.07Å; F1118-I1206 HydrophobicContact CZ-CB 4.47Å; D1119-I1206 CarbonylContact C-O 3.27Å; D1119-I1206 VanDerWaalsContact C-O 3.27Å; R1120-I1206 PolarHBondContact N-O 2.92Å; I1122-I1206 HydrophobicContact CD1-CD1 4.13Å; F1202-I1206 HydrophobicContact CE1-CD1 3.91Å; F1202-I1206 HydrophobicContact CE2-CD1 4.4Å; F1202-I1206 HydrophobicContact CE2-CG2 4.28Å; F1202-I1206 HydrophobicContact CZ-CD1 3.75Å; F1202-I1206 PolarHBondContact O-N 2.71Å; G1204-I1206 PolarHBondContact O-N 3.21Å |
| 1207 | S | 97 | Very high | 95.4 | Very high | 10 Ų | 10 | 23.1 Ų | 23.1 | 7% | 0.07 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -7.7 | 171.7 | -59.1 | 0 | 0 | 0 | 0 | 113.3 | M1181 P1203 G1204 | M1181-S1207 WeakPolarHBondContact CG-O 3.49Å; P1203-S1207 WeakPolarHBondContact O-CB 3.12Å; P1203-S1207 PolarHBondContact O-N 2.96Å; P1203-S1207 PolarHBondContact O-OG 2.88Å; G1204-S1207 PolarHBondContact O-N 3.31Å |
| 1208 | E | 96.3 | Very high | 95.4 | Very high | 5 Ų | 5 | 22.4 Ų | 22.4 | 2% | 0.023 | 14% | 0.141 | C | C | . | . | B | Isolated β-bridge | trans | -71.9 | 136.3 | 173.7 | -62.4 | -170.6 | 149.5 | 0 | 0 | 111.8 | F1118 Y1159 S1180 M1181 G1217 P1218 T1219 L1220 | F1118-E1208 WeakPolarHBondContact CE1-O 3.25Å; Y1159-E1208 HydrophobicContact CE2-CG 4.39Å; Y1159-E1208 WeakPolarHBondContact CE2-OE1 3.41Å; Y1159-E1208 PolarHBondContact OH-OE1 2.76Å; S1180-E1208 CarbonylContact O-C 3.59Å; S1180-E1208 WeakPolarHBondContact O-CA 3.39Å; M1181-E1208 HydrophobicContact CE-CG 4.01Å; E1208-G1217 VanDerWaalsContact OE2-C 3.23Å; E1208-P1218 VanDerWaalsContact OE2-CD 3.26Å; E1208-P1218 WeakPolarHBondContact OE2-CD 3.47Å; E1208-P1218 VanDerWaalsContact OE2-N 3.13Å; E1208-T1219 WeakPolarHBondContact OE1-CB 3.29Å; E1208-T1219 PolarHBondContact OE1-OG1 2.68Å; E1208-T1219 PolarHBondContact OE2-N 3.32Å; E1208-L1220 PolarHBondContact OE2-N 2.88Å |
| 1209 | R | 95 | Very high | 95.5 | Very high | 101 Ų | 101 | 22.2 Ų | 22.2 | 38% | 0.381 | 14% | 0.14 | S | C | . | . | P | Polyproline II helix | trans | -63.4 | 135.9 | 170.6 | -73.7 | -174.6 | -76.8 | -96.5 | -2.2 | 111.3 | V1178 D1179 S1180 M1181 D1182 G1217 | V1178-R1209 PolarHBondContact O-NH2 3.33Å; D1179-R1209 PolarHBondContact O-NH2 3.41Å; S1180-R1209 PolarHBondContact O-N 3.06Å; M1181-R1209 PolarHBondContact O-NH1 2.9Å; M1181-R1209 PolarHBondContact O-NH2 3.2Å; D1182-R1209 VanDerWaalsContact OD1-CD 3.28Å; D1182-R1209 WeakPolarHBondContact OD1-CD 3.44Å; D1182-R1209 IonicContact OD1-CZ 3.53Å; D1182-R1209 IonicContact OD1-NE 3.54Å; D1182-R1209 IonicContact OD1-NH1 2.75Å; D1182-R1209 PolarHBondContact OD1-NH1 3.4Å; R1209-G1217 WeakPolarHBondContact O-CA 3.43Å |
| 1210 | S | 94.2 | Very high | 95.5 | Very high | 56 Ų | 56 | 22.3 Ų | 22.3 | 39% | 0.392 | 14% | 0.14 | S | C | . | . | P | Polyproline II helix | trans | -55.2 | 135.7 | 176.7 | -51.3 | 0 | 0 | 0 | 0 | 112.8 | F1118 L1215 | F1118-S1210 WeakPolarHBondContact CD1-OG 3.27Å; S1210-L1215 VanDerWaalsContact CB-O 3.3Å; S1210-L1215 WeakPolarHBondContact CB-O 3.3Å; S1210-L1215 PolarHBondContact OG-O 2.05Å |
| 1211 | L | 92.8 | Very high | 95.5 | Very high | 50 Ų | 50 | 22.1 Ų | 22.1 | 26% | 0.262 | 14% | 0.14 | S | C | . | . | P | Polyproline II helix | trans | -66.7 | 148.4 | 172.1 | -69.7 | 176.7 | 0 | 0 | 0 | 111.8 | L1024 G1213 A1214 V1216 P1218 | L1024-L1211 HydrophobicContact CD1-CD1 3.85Å; L1024-L1211 HydrophobicContact CD2-CD1 4.44Å; L1024-L1211 HydrophobicContact CG-CD1 4.19Å; L1211-G1213 PolarHBondContact O-N 3.18Å; L1211-A1214 HydrophobicContact CB-CB 3.85Å; L1211-A1214 WeakPolarHBondContact O-CB 3.45Å; L1211-A1214 PolarHBondContact O-N 3.35Å; L1211-V1216 PolarHBondContact N-O 3.44Å; L1211-P1218 HydrophobicContact CD1-CB 4.42Å; L1211-P1218 HydrophobicContact CD2-CB 4.29Å |
| 1212 | P | 89.9 | Confident | 95.5 | Very high | 131 Ų | 131 | 22.8 Ų | 22.8 | 85% | 0.851 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 114.5 | 179.1 | -29.1 | 36.2 | 0 | 0 | 0 | 113.6 | A1214 | P1212-A1214 VanDerWaalsContact C-N 3.29Å; P1212-A1214 PolarHBondContact O-N 3.07Å |
| 1213 | G | 88.7 | Confident | 95.5 | Very high | 57 Ų | 57 | 22.8 Ų | 22.8 | 59% | 0.588 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | -3.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | G1021 L1211 | G1021-G1213 WeakPolarHBondContact CA-O 3.3Å; L1211-G1213 PolarHBondContact O-N 3.18Å |
| 1214 | A | 93.2 | Very high | 95.5 | Very high | 14 Ų | 14 | 22.8 Ų | 22.8 | 12% | 0.116 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -89.7 | 178.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V1019 L1020 L1211 P1212 | V1019-A1214 WeakPolarHBondContact O-CB 3.06Å; L1020-A1214 VanDerWaalsContact O-CB 3.31Å; L1020-A1214 WeakPolarHBondContact O-CB 3.48Å; L1211-A1214 HydrophobicContact CB-CB 3.85Å; L1211-A1214 WeakPolarHBondContact O-CB 3.45Å; L1211-A1214 PolarHBondContact O-N 3.35Å; P1212-A1214 VanDerWaalsContact C-N 3.29Å; P1212-A1214 PolarHBondContact O-N 3.07Å |
| 1215 | L | 93.2 | Very high | 95.5 | Very high | 3 Ų | 3 | 22.8 Ų | 22.8 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -100.6 | -31.7 | 163 | -173.3 | 56 | 0 | 0 | 0 | 111 | Y805 L809 K1018 V1019 F1060 L1064 F1118 S1210 | Y805-L1215 HydrophobicContact CD2-CD1 4.22Å; Y805-L1215 HydrophobicContact CD2-CD2 4.35Å; Y805-L1215 HydrophobicContact CE2-CB 4.39Å; Y805-L1215 HydrophobicContact CE2-CD1 4.14Å; Y805-L1215 HydrophobicContact CE2-CD2 4.42Å; L809-L1215 HydrophobicContact CD2-CD2 3.95Å; K1018-L1215 WeakPolarHBondContact O-CB 3.32Å; K1018-L1215 PolarHBondContact O-N 2.93Å; V1019-L1215 PolarHBondContact O-N 2.64Å; F1060-L1215 HydrophobicContact CE2-CD2 4.28Å; L1064-L1215 HydrophobicContact CD1-CD2 3.88Å; L1064-L1215 HydrophobicContact CD2-CD1 4.42Å; L1064-L1215 HydrophobicContact CD2-CD2 4.05Å; F1118-L1215 HydrophobicContact CB-CD1 3.6Å; F1118-L1215 HydrophobicContact CB-CG 3.85Å; F1118-L1215 WeakPolarHBondContact CD1-O 3.41Å; F1118-L1215 HydrophobicContact CG-CG 4.47Å; F1118-L1215 VanDerWaalsContact CG-O 3.29Å; F1118-L1215 WeakPolarHBondContact CG-O 3.43Å; S1210-L1215 VanDerWaalsContact CB-O 3.3Å; S1210-L1215 WeakPolarHBondContact CB-O 3.3Å; S1210-L1215 PolarHBondContact OG-O 2.05Å |
| 1216 | V | 96 | Very high | 95.5 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -103.5 | 161.1 | -170.8 | -59.7 | 0 | 0 | 0 | 0 | 114.1 | V1019 L1020 F1060 F1118 L1211 L1220 | V1019-V1216 HydrophobicContact CG1-CG1 3.87Å; V1019-V1216 HydrophobicContact CG1-CG2 4.45Å; V1019-V1216 PolarHBondContact O-N 3.48Å; L1020-V1216 HydrophobicContact CD2-CG2 4.35Å; F1060-V1216 HydrophobicContact CD2-CG1 3.9Å; F1060-V1216 HydrophobicContact CE2-CG1 4.09Å; F1060-V1216 HydrophobicContact CG-CG1 4.32Å; F1118-V1216 HydrophobicContact CE2-CG1 4.28Å; F1118-V1216 HydrophobicContact CZ-CB 4.46Å; L1211-V1216 PolarHBondContact N-O 3.44Å; V1216-L1220 HydrophobicContact CB-CB 4.19Å; V1216-L1220 HydrophobicContact CB-CD2 3.67Å; V1216-L1220 HydrophobicContact CB-CG 3.75Å; V1216-L1220 HydrophobicContact CG1-CD2 3.54Å; V1216-L1220 HydrophobicContact CG1-CG 3.88Å; V1216-L1220 HydrophobicContact CG2-CG 4.31Å |
| 1217 | G | 95.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -72.9 | 174.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | E1208 R1209 G1221 | E1208-G1217 VanDerWaalsContact OE2-C 3.23Å; R1209-G1217 WeakPolarHBondContact O-CA 3.43Å; G1217-G1221 PolarHBondContact O-N 3.39Å | ||
| 1218 | P | 95.9 | Very high | 95.6 | Very high | 31 Ų | 31 | 24.6 Ų | 24.6 | 20% | 0.201 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65 | -42 | -172.9 | 25.4 | -35.1 | 0 | 0 | 0 | 115.5 | L1168 E1208 L1211 C1222 | L1168-P1218 HydrophobicContact CD1-CB 4.15Å; L1168-P1218 HydrophobicContact CD1-CG 3.99Å; L1168-P1218 HydrophobicContact CD2-CB 4.47Å; E1208-P1218 VanDerWaalsContact OE2-CD 3.26Å; E1208-P1218 WeakPolarHBondContact OE2-CD 3.47Å; E1208-P1218 VanDerWaalsContact OE2-N 3.13Å; L1211-P1218 HydrophobicContact CD1-CB 4.42Å; L1211-P1218 HydrophobicContact CD2-CB 4.29Å; P1218-C1222 WeakPolarHBondContact O-CB 3.32Å; P1218-C1222 PolarHBondContact O-N 2.7Å |
| 1219 | T | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -74.7 | -40.3 | -179.4 | -49.6 | 0 | 0 | 0 | 0 | 110 | Y1159 C1166 L1168 L1205 E1208 C1222 I1223 | Y1159-T1219 HydrophobicContact CE2-CG2 4.32Å; C1166-T1219 HydrophobicContact CB-CG2 4.48Å; L1168-T1219 WeakPolarHBondContact CD1-OG1 3.24Å; L1205-T1219 HydrophobicContact CD2-CG2 3.68Å; E1208-T1219 WeakPolarHBondContact OE1-CB 3.29Å; E1208-T1219 PolarHBondContact OE1-OG1 2.68Å; E1208-T1219 PolarHBondContact OE2-N 3.32Å; T1219-C1222 WeakPolarHBondContact O-CB 3.49Å; T1219-C1222 PolarHBondContact O-N 3.37Å; T1219-I1223 HydrophobicContact CG2-CD1 4.45Å; T1219-I1223 PolarHBondContact O-N 3.01Å; T1219-I1223 VanDerWaalsContact O-N 3.11Å |
| 1220 | L | 97.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.2 | -46.3 | 176.6 | 177.7 | 53.8 | 0 | 0 | 0 | 111.9 | A1057 F1060 F1118 L1205 E1208 V1216 C1222 I1223 I1224 | A1057-L1220 HydrophobicContact CB-CD1 3.79Å; A1057-L1220 WeakPolarHBondContact O-CD1 3.42Å; F1060-L1220 HydrophobicContact CB-CD1 4.46Å; F1060-L1220 HydrophobicContact CB-CD2 3.71Å; F1060-L1220 HydrophobicContact CG-CD2 4.22Å; F1118-L1220 HydrophobicContact CE2-CD2 3.47Å; F1118-L1220 VanDerWaalsContact CE2-CD2 3.47Å; F1118-L1220 HydrophobicContact CZ-CD2 3.54Å; L1205-L1220 HydrophobicContact CB-CB 4.29Å; L1205-L1220 HydrophobicContact CD1-CD1 4.22Å; L1205-L1220 HydrophobicContact CD2-CB 4.12Å; E1208-L1220 PolarHBondContact OE2-N 2.88Å; V1216-L1220 HydrophobicContact CB-CB 4.19Å; V1216-L1220 HydrophobicContact CB-CD2 3.67Å; V1216-L1220 HydrophobicContact CB-CG 3.75Å; V1216-L1220 HydrophobicContact CG1-CD2 3.54Å; V1216-L1220 HydrophobicContact CG1-CG 3.88Å; V1216-L1220 HydrophobicContact CG2-CG 4.31Å; L1220-C1222 VanDerWaalsContact C-N 3.27Å; L1220-C1222 PolarHBondContact O-N 2.91Å; L1220-I1223 PolarHBondContact O-N 2.87Å; L1220-I1224 HydrophobicContact CD1-CD1 3.69Å; L1220-I1224 HydrophobicContact CD1-CG1 4.18Å; L1220-I1224 HydrophobicContact CG-CD1 4.13Å; L1220-I1224 WeakPolarHBondContact O-CG1 3.32Å; L1220-I1224 PolarHBondContact O-N 3.1Å |
| 1221 | G | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.1 | -27 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1020 G1217 G1225 | L1020-G1221 WeakPolarHBondContact CD2-O 3.34Å; G1217-G1221 PolarHBondContact O-N 3.39Å; G1221-G1225 PolarHBondContact O-N 3Å |
| 1222 | C | 97.8 | Very high | 96.1 | Very high | 15 Ų | 15 | 21.3 Ų | 21.3 | 10% | 0.101 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.1 | -49.9 | 172.4 | 162.3 | 0 | 0 | 0 | 0 | 112.2 | Y1028 C1166 P1218 T1219 L1220 G1225 E1226 | Y1028-C1222 WeakPolarHBondContact OH-CA 3.29Å; Y1028-C1222 PolarHBondContact OH-O 3.44Å; C1166-C1222 VanDerWaalsContact CA-SG 3.57Å; C1166-C1222 HydrophobicContact CB-CB 3.69Å; C1166-C1222 WeakPolarHBondContact CB-SG 3.37Å; C1166-C1222 WeakPolarHBondContact SG-CB 3.37Å; C1166-C1222 CovalentContact SG-SG 2.04Å; C1166-C1222 PolarHBondContact SG-SG 2.81Å; P1218-C1222 WeakPolarHBondContact O-CB 3.32Å; P1218-C1222 PolarHBondContact O-N 2.7Å; T1219-C1222 WeakPolarHBondContact O-CB 3.49Å; T1219-C1222 PolarHBondContact O-N 3.37Å; L1220-C1222 VanDerWaalsContact C-N 3.27Å; L1220-C1222 PolarHBondContact O-N 2.91Å; C1222-G1225 PolarHBondContact O-N 3.4Å; C1222-E1226 PolarHBondContact O-N 3.21Å |
| 1223 | I | 98.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 16.5 Ų | 16.5 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65 | -46.5 | -180 | -64.1 | 166.4 | 0 | 0 | 0 | 110.8 | L762 F1053 A1057 Y1162 L1205 T1219 L1220 G1225 E1226 Q1227 | L762-I1223 HydrophobicContact CD1-CG1 4.24Å; L762-I1223 HydrophobicContact CD1-CG2 4.1Å; F1053-I1223 HydrophobicContact CB-CG2 4.42Å; A1057-I1223 HydrophobicContact CB-CB 4.08Å; A1057-I1223 HydrophobicContact CB-CD1 4.43Å; A1057-I1223 HydrophobicContact CB-CG2 3.57Å; Y1162-I1223 HydrophobicContact CD1-CD1 4.31Å; L1205-I1223 HydrophobicContact CD1-CD1 4.19Å; L1205-I1223 HydrophobicContact CD2-CD1 4.26Å; T1219-I1223 HydrophobicContact CG2-CD1 4.45Å; T1219-I1223 PolarHBondContact O-N 3.01Å; T1219-I1223 VanDerWaalsContact O-N 3.11Å; L1220-I1223 PolarHBondContact O-N 2.87Å; I1223-G1225 VanDerWaalsContact C-N 3.35Å; I1223-G1225 PolarHBondContact O-N 2.94Å; I1223-E1226 PolarHBondContact O-N 3.03Å; I1223-Q1227 PolarHBondContact O-N 2.88Å; I1223-Q1227 VanDerWaalsContact O-N 3.17Å |
| 1224 | I | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.7 | -39.7 | 177.8 | -65.4 | 174.9 | 0 | 0 | 0 | 111 | L1016 V1019 L1020 F1053 A1057 F1058 F1060 L1220 M1228 | L1016-I1224 HydrophobicContact CD1-CG2 4.16Å; V1019-I1224 HydrophobicContact CG1-CD1 4.45Å; L1020-I1224 HydrophobicContact CD1-CG2 4.44Å; L1020-I1224 HydrophobicContact CD2-CB 4.01Å; L1020-I1224 HydrophobicContact CD2-CG2 3.87Å; L1020-I1224 HydrophobicContact CG-CG2 4.29Å; F1053-I1224 HydrophobicContact CD2-CG1 4.46Å; F1053-I1224 HydrophobicContact CE2-CB 4.5Å; F1053-I1224 HydrophobicContact CE2-CG1 4.21Å; F1053-I1224 HydrophobicContact CE2-CG2 4.48Å; A1057-I1224 HydrophobicContact CB-CG1 4.48Å; F1058-I1224 HydrophobicContact CD2-CD1 4.26Å; F1058-I1224 HydrophobicContact CD2-CG1 4.31Å; F1060-I1224 HydrophobicContact CD1-CD1 3.8Å; F1060-I1224 HydrophobicContact CE1-CD1 3.73Å; L1220-I1224 HydrophobicContact CD1-CD1 3.69Å; L1220-I1224 HydrophobicContact CD1-CG1 4.18Å; L1220-I1224 HydrophobicContact CG-CD1 4.13Å; L1220-I1224 WeakPolarHBondContact O-CG1 3.32Å; L1220-I1224 PolarHBondContact O-N 3.1Å; I1224-M1228 HydrophobicContact CG2-CG 4.08Å; I1224-M1228 VanDerWaalsContact O-CB 3.27Å; I1224-M1228 WeakPolarHBondContact O-CB 3.42Å; I1224-M1228 WeakPolarHBondContact O-CG 3.46Å; I1224-M1228 PolarHBondContact O-N 2.76Å |
| 1225 | G | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -64.9 | -38.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y1028 G1221 C1222 I1223 K1229 | Y1028-G1225 VanDerWaalsContact CD1-C 3.47Å; Y1028-G1225 WeakPolarHBondContact CD1-O 3.4Å; G1221-G1225 PolarHBondContact O-N 3Å; C1222-G1225 PolarHBondContact O-N 3.4Å; I1223-G1225 VanDerWaalsContact C-N 3.35Å; I1223-G1225 PolarHBondContact O-N 2.94Å; G1225-K1229 WeakPolarHBondContact O-CB 3.24Å; G1225-K1229 PolarHBondContact O-N 2.95Å |
| 1226 | E | 97.4 | Very high | 97.1 | Very high | 51 Ų | 51 | 13.5 Ų | 13.5 | 24% | 0.238 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -67.5 | -48.3 | 176.8 | -169.4 | -82.8 | 165.5 | 0 | 0 | 111.7 | R760 Y1028 C1222 I1223 K1229 K1230 | R760-E1226 IonicContact CZ-OE1 2.99Å; R760-E1226 IonicContact CZ-OE2 3.24Å; R760-E1226 IonicContact NH1-OE1 3.94Å; R760-E1226 PolarHBondContact NH1-OE1 3.37Å; R760-E1226 IonicContact NH1-OE2 3.13Å; R760-E1226 PolarHBondContact NH1-OE2 2.89Å; R760-E1226 IonicContact NH2-OE1 3.19Å; R760-E1226 IonicContact NH2-OE2 3.43Å; R760-E1226 PolarHBondContact NH2-OE2 2.98Å; Y1028-E1226 HydrophobicContact CE1-CB 4.17Å; C1222-E1226 PolarHBondContact O-N 3.21Å; I1223-E1226 PolarHBondContact O-N 3.03Å; E1226-K1229 PolarHBondContact O-N 3.15Å; E1226-K1230 PolarHBondContact O-N 2.84Å; E1226-K1230 VanDerWaalsContact OE1-CD 3.29Å; E1226-K1230 WeakPolarHBondContact OE1-CD 3.43Å; E1226-K1230 WeakPolarHBondContact OE1-CE 3.35Å |
| 1227 | Q | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.4 | -47.9 | 177 | -174.9 | 65.2 | 60.7 | 0 | 0 | 111.2 | A1047 T1048 I1049 F1053 I1223 K1229 K1230 L1231 | A1047-Q1227 PolarHBondContact O-NE2 3.37Å; T1048-Q1227 PolarHBondContact O-NE2 2.8Å; T1048-Q1227 PolarHBondContact O-OE1 3.41Å; I1049-Q1227 HydrophobicContact CD1-CG 4.1Å; F1053-Q1227 HydrophobicContact CD1-CG 4.23Å; F1053-Q1227 HydrophobicContact CD2-CB 3.51Å; F1053-Q1227 HydrophobicContact CD2-CG 3.69Å; F1053-Q1227 HydrophobicContact CE1-CG 4.33Å; F1053-Q1227 HydrophobicContact CE2-CB 3.75Å; F1053-Q1227 HydrophobicContact CE2-CG 3.79Å; F1053-Q1227 HydrophobicContact CG-CB 4.14Å; F1053-Q1227 HydrophobicContact CG-CG 3.92Å; F1053-Q1227 HydrophobicContact CZ-CG 4.11Å; I1223-Q1227 PolarHBondContact O-N 2.88Å; I1223-Q1227 VanDerWaalsContact O-N 3.17Å; Q1227-K1229 VanDerWaalsContact C-N 3.25Å; Q1227-K1229 PolarHBondContact O-N 3.01Å; Q1227-K1230 WeakPolarHBondContact O-CA 3.38Å; Q1227-K1230 WeakPolarHBondContact O-CB 3.41Å; Q1227-K1230 PolarHBondContact O-N 2.84Å; Q1227-L1231 HydrophobicContact CG-CD1 4.17Å; Q1227-L1231 HydrophobicContact CG-CG 4.3Å; Q1227-L1231 WeakPolarHBondContact O-CG 3.34Å; Q1227-L1231 PolarHBondContact O-N 3.33Å |
| 1228 | M | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.8 | -30.9 | -178.8 | -70 | -79.1 | 167.8 | 0 | 0 | 112.6 | M820 I898 F1012 W1015 L1016 L1030 F1053 F1058 I1224 L1231 R1232 | M820-M1228 HydrophobicContact CE-CE 4.27Å; I898-M1228 HydrophobicContact CD1-SD 4.47Å; F1012-M1228 HydrophobicContact CE2-SD 4.29Å; F1012-M1228 HydrophobicContact CZ-CB 4.39Å; F1012-M1228 WeakPolarHBondContact CZ-O 3.41Å; F1012-M1228 HydrophobicContact CZ-SD 4.32Å; W1015-M1228 HydrophobicContact CZ3-CE 4.45Å; L1016-M1228 HydrophobicContact CD1-CE 4.45Å; L1016-M1228 HydrophobicContact CD1-CG 3.8Å; L1016-M1228 HydrophobicContact CD1-SD 4.1Å; L1016-M1228 HydrophobicContact CD2-CB 3.83Å; L1016-M1228 HydrophobicContact CD2-CG 3.9Å; L1016-M1228 HydrophobicContact CD2-SD 4.04Å; L1030-M1228 HydrophobicContact CD1-CB 4.39Å; L1030-M1228 HydrophobicContact CD2-CB 4.21Å; F1053-M1228 HydrophobicContact CE2-CE 4.47Å; F1053-M1228 HydrophobicContact CZ-CE 4.1Å; F1058-M1228 HydrophobicContact CE2-CE 3.78Å; F1058-M1228 HydrophobicContact CZ-CE 4.05Å; I1224-M1228 HydrophobicContact CG2-CG 4.08Å; I1224-M1228 VanDerWaalsContact O-CB 3.27Å; I1224-M1228 WeakPolarHBondContact O-CB 3.42Å; I1224-M1228 WeakPolarHBondContact O-CG 3.46Å; I1224-M1228 PolarHBondContact O-N 2.76Å; M1228-L1231 PolarHBondContact O-N 3.06Å; M1228-L1231 HydrophobicContact SD-CD1 4.36Å; M1228-R1232 PolarHBondContact O-N 2.87Å |
| 1229 | K | 97.5 | Very high | 97.3 | Very high | 94 Ų | 94 | 13.5 Ų | 13.5 | 41% | 0.409 | 6% | 0.062 | S | C | . | . | H | α-helix | trans | -63.7 | -44.9 | 170.9 | -176.2 | -178 | 179.1 | -176.1 | 0 | 111 | Y1028 L1030 G1225 E1226 Q1227 R1232 N1233 | Y1028-K1229 HydrophobicContact CD1-CD 4.44Å; Y1028-K1229 WeakPolarHBondContact O-CD 3.34Å; Y1028-K1229 WeakPolarHBondContact O-CG 2.96Å; L1030-K1229 HydrophobicContact CD2-CB 4.07Å; G1225-K1229 WeakPolarHBondContact O-CB 3.24Å; G1225-K1229 PolarHBondContact O-N 2.95Å; E1226-K1229 PolarHBondContact O-N 3.15Å; Q1227-K1229 VanDerWaalsContact C-N 3.25Å; Q1227-K1229 PolarHBondContact O-N 3.01Å; K1229-R1232 PolarHBondContact O-N 3.24Å; K1229-N1233 WeakPolarHBondContact O-CB 3.02Å; K1229-N1233 PolarHBondContact O-N 3.36Å; K1229-N1233 PolarHBondContact O-OD1 3.4Å; K1229-N1233 VanDerWaalsContact O-OD1 3.07Å |
| 1230 | K | 97.4 | Very high | 97.2 | Very high | 40 Ų | 40 | 13.5 Ų | 13.5 | 17% | 0.174 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -62.8 | -42.5 | 176 | -76.8 | 174.2 | 158.7 | -70.6 | 0 | 112.6 | R760 D1046 E1226 Q1227 R1232 N1233 C1234 | R760-K1230 VanDerWaalsContact NH1-CE 3.32Å; D1046-K1230 PolarHBondContact O-NZ 3.15Å; E1226-K1230 PolarHBondContact O-N 2.84Å; E1226-K1230 VanDerWaalsContact OE1-CD 3.29Å; E1226-K1230 WeakPolarHBondContact OE1-CD 3.43Å; E1226-K1230 WeakPolarHBondContact OE1-CE 3.35Å; Q1227-K1230 WeakPolarHBondContact O-CA 3.38Å; Q1227-K1230 WeakPolarHBondContact O-CB 3.41Å; Q1227-K1230 PolarHBondContact O-N 2.84Å; K1230-R1232 PolarHBondContact O-N 3.34Å; K1230-N1233 PolarHBondContact O-N 3.25Å; K1230-C1234 WeakPolarHBondContact O-CA 3.39Å; K1230-C1234 WeakPolarHBondContact O-CB 3.43Å; K1230-C1234 PolarHBondContact O-N 2.89Å; K1230-C1234 PolarHBondContact O-SG 3.16Å |
| 1231 | L | 97.4 | Very high | 97.1 | Very high | 3 Ų | 3 | 13.5 Ų | 13.5 | 2% | 0.016 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -63.4 | -26.1 | 179 | -63.8 | -178.5 | 0 | 0 | 0 | 113.6 | M820 S896 I898 I1049 Q1227 M1228 D1235 | M820-L1231 HydrophobicContact SD-CD1 3.42Å; M820-L1231 WeakPolarHBondContact SD-CD1 3.5Å; S896-L1231 WeakPolarHBondContact O-CD2 3.42Å; I898-L1231 HydrophobicContact CD1-CD1 4.22Å; I898-L1231 HydrophobicContact CG1-CD1 4.33Å; I1049-L1231 HydrophobicContact CD1-CD1 4.31Å; I1049-L1231 HydrophobicContact CD1-CD2 4.06Å; Q1227-L1231 HydrophobicContact CG-CD1 4.17Å; Q1227-L1231 HydrophobicContact CG-CG 4.3Å; Q1227-L1231 WeakPolarHBondContact O-CG 3.34Å; Q1227-L1231 PolarHBondContact O-N 3.33Å; M1228-L1231 PolarHBondContact O-N 3.06Å; M1228-L1231 HydrophobicContact SD-CD1 4.36Å; L1231-D1235 WeakPolarHBondContact O-CB 3.36Å |
| 1232 | R | 96.5 | Very high | 97 | Very high | 5 Ų | 5 | 17 Ų | 17 | 2% | 0.019 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -81.9 | -56.5 | 169.7 | -175.3 | -176.4 | -165.9 | -179.4 | 11.7 | 112.3 | F1012 G1029 Q1031 Y1038 M1228 K1229 K1230 C1234 W1238 E1240 | F1012-R1232 HydrophobicContact CE1-CB 3.99Å; F1012-R1232 HydrophobicContact CZ-CB 4.14Å; G1029-R1232 PolarHBondContact O-NH1 3.44Å; Q1031-R1232 PolarHBondContact O-NH1 3.42Å; Q1031-R1232 PolarHBondContact O-NH2 2.95Å; Y1038-R1232 HydrophobicContact CE1-CG 4.3Å; M1228-R1232 PolarHBondContact O-N 2.87Å; K1229-R1232 PolarHBondContact O-N 3.24Å; K1230-R1232 PolarHBondContact O-N 3.34Å; R1232-C1234 VanDerWaalsContact C-N 3.32Å; R1232-C1234 PolarHBondContact O-N 2.6Å; R1232-W1238 HydrophobicContact CB-CD2 4.45Å; R1232-W1238 HydrophobicContact CB-CE3 4.34Å; R1232-W1238 HydrophobicContact CB-CZ3 4.45Å; R1232-W1238 HydrophobicContact CG-CD2 3.82Å; R1232-W1238 HydrophobicContact CG-CE3 4.18Å; R1232-W1238 HydrophobicContact CG-CG 4.27Å; R1232-W1238 HydrophobicContact CG-CH2 4.34Å; R1232-W1238 HydrophobicContact CG-CZ2 3.98Å; R1232-W1238 HydrophobicContact CG-CZ3 4.42Å; R1232-E1240 IonicContact CZ-OE2 2.62Å; R1232-E1240 IonicContact NH2-OE2 2.64Å; R1232-E1240 PolarHBondContact NH2-OE2 2.81Å |
| 1233 | N | 96.6 | Very high | 96.7 | Very high | 30 Ų | 30 | 17.4 Ų | 17.4 | 16% | 0.16 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -73.7 | -23 | -167.9 | -74.8 | 58.4 | 0 | 0 | 0 | 113.3 | Y1038 G1040 Y1041 D1042 K1229 K1230 | Y1038-N1233 PolarHBondContact OH-ND2 2.97Å; Y1038-N1233 PolarHBondContact OH-OD1 2.83Å; G1040-N1233 PolarHBondContact O-ND2 3.21Å; Y1041-N1233 CarbonylContact C-O 3.58Å; Y1041-N1233 VanDerWaalsContact CA-O 3.3Å; Y1041-N1233 WeakPolarHBondContact CA-O 3.27Å; Y1041-N1233 WeakPolarHBondContact CD2-O 3.2Å; D1042-N1233 PolarHBondContact N-O 3.3Å; K1229-N1233 WeakPolarHBondContact O-CB 3.02Å; K1229-N1233 PolarHBondContact O-N 3.36Å; K1229-N1233 PolarHBondContact O-OD1 3.4Å; K1229-N1233 VanDerWaalsContact O-OD1 3.07Å; K1230-N1233 PolarHBondContact O-N 3.25Å |
| 1234 | C | 96.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.014 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | 14.9 | -166.5 | -38.4 | 0 | 0 | 0 | 0 | 111.8 | C1045 A1047 K1230 R1232 | C1045-C1234 HydrophobicContact CB-CB 3.56Å; C1045-C1234 WeakPolarHBondContact CB-SG 3.37Å; C1045-C1234 WeakPolarHBondContact SG-CB 3.17Å; C1045-C1234 CovalentContact SG-SG 2.01Å; C1045-C1234 PolarHBondContact SG-SG 2.73Å; A1047-C1234 HydrophobicContact CB-CB 3.82Å; K1230-C1234 WeakPolarHBondContact O-CA 3.39Å; K1230-C1234 WeakPolarHBondContact O-CB 3.43Å; K1230-C1234 PolarHBondContact O-N 2.89Å; K1230-C1234 PolarHBondContact O-SG 3.16Å; R1232-C1234 VanDerWaalsContact C-N 3.32Å; R1232-C1234 PolarHBondContact O-N 2.6Å |
| 1235 | D | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -108 | 110.2 | 174.3 | 177.5 | 22.4 | 0 | 0 | 0 | 109.9 | R738 N745 Y897 Q1008 L1231 F1237 W1238 N1241 | R738-D1235 IonicContact CZ-OD1 2.62Å; R738-D1235 IonicContact CZ-OD2 2.97Å; R738-D1235 IonicContact NH1-OD1 2.7Å; R738-D1235 PolarHBondContact NH1-OD1 2.71Å; R738-D1235 IonicContact NH1-OD2 3.63Å; R738-D1235 VanDerWaalsContact NH2-CG 3.34Å; R738-D1235 IonicContact NH2-OD1 2.76Å; R738-D1235 PolarHBondContact NH2-OD1 2.85Å; R738-D1235 IonicContact NH2-OD2 2.7Å; R738-D1235 PolarHBondContact NH2-OD2 2.97Å; N745-D1235 PolarHBondContact ND2-OD1 3.37Å; Y897-D1235 HydrophobicContact CD1-CB 3.76Å; Y897-D1235 HydrophobicContact CE1-CB 3.87Å; Q1008-D1235 PolarHBondContact NE2-OD2 3.32Å; L1231-D1235 WeakPolarHBondContact O-CB 3.36Å; D1235-F1237 PolarHBondContact O-N 3.45Å; D1235-F1237 PolarHBondContact OD1-N 3.07Å; D1235-F1237 VanDerWaalsContact OD1-N 3.12Å; D1235-W1238 HydrophobicContact CB-CB 4.21Å; D1235-W1238 WeakPolarHBondContact O-CB 3.49Å; D1235-W1238 PolarHBondContact O-N 3.11Å; D1235-W1238 VanDerWaalsContact O-N 3.13Å; D1235-W1238 WeakPolarHBondContact OD2-CA 3.38Å; D1235-W1238 PolarHBondContact OD2-N 3.38Å; D1235-N1241 PolarHBondContact O-ND2 3.26Å; D1235-N1241 VanDerWaalsContact O-ND2 3.08Å | ||
| 1236 | R | 95.5 | Very high | 95.8 | Very high | 10 Ų | 10 | 25.9 Ų | 25.9 | 4% | 0.038 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -28.2 | 177.9 | -176 | 168.9 | 61.7 | 100.1 | -11.2 | 111.6 | C744 N745 Y1041 N1241 I1243 N1246 | C744-R1236 PolarHBondContact O-NH2 3.37Å; N745-R1236 WeakPolarHBondContact O-CB 3.38Å; N745-R1236 WeakPolarHBondContact O-CD 3.35Å; N745-R1236 PolarHBondContact O-NE 3.31Å; N745-R1236 WeakPolarHBondContact OD1-CB 3.49Å; N745-R1236 PolarHBondContact OD1-N 3.23Å; Y1041-R1236 HydrophobicContact CE1-CB 4.35Å; Y1041-R1236 HydrophobicContact CE1-CG 4.33Å; Y1041-R1236 VanDerWaalsContact CE2-CA 3.49Å; Y1041-R1236 HydrophobicContact CE2-CB 3.87Å; Y1041-R1236 VanDerWaalsContact CE2-N 3.32Å; R1236-N1241 PolarHBondContact O-ND2 3.33Å; R1236-I1243 HydrophobicContact CG-CD1 3.95Å; R1236-N1246 PolarHBondContact O-ND2 2.04Å |
| 1237 | F | 96.5 | Very high | 95.6 | Very high | 21 Ų | 21 | 28.9 Ų | 28.9 | 9% | 0.092 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 16.8 | -178.2 | -65.3 | -85.7 | 0 | 0 | 0 | 113 | Y737 R738 D1235 Y1239 N1246 | Y737-F1237 VanDerWaalsContact C-CZ 3.49Å; Y737-F1237 WeakPolarHBondContact O-CZ 3.08Å; R738-F1237 HydrophobicContact CG-CB 3.85Å; R738-F1237 HydrophobicContact CG-CD1 4.08Å; R738-F1237 HydrophobicContact CG-CD2 3.75Å; R738-F1237 HydrophobicContact CG-CE2 4.25Å; R738-F1237 HydrophobicContact CG-CG 3.64Å; R738-F1237 PolarHBondContact NH2-O 3.37Å; D1235-F1237 PolarHBondContact O-N 3.45Å; D1235-F1237 PolarHBondContact OD1-N 3.07Å; D1235-F1237 VanDerWaalsContact OD1-N 3.12Å; F1237-Y1239 PolarHBondContact O-N 3.01Å; F1237-N1246 HydrophobicContact CD1-CB 3.77Å; F1237-N1246 WeakPolarHBondContact CD1-ND2 3.3Å; F1237-N1246 HydrophobicContact CE1-CB 3.75Å |
| 1238 | W | 96.9 | Very high | 95.5 | Very high | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.015 | 14% | 0.14 | C | C | . | . | trans | -56 | 129.8 | 172 | 171.7 | -98.9 | 0 | 0 | 0 | 110.1 | Q1008 F1012 L1032 R1232 D1235 E1240 N1241 | Q1008-W1238 HydrophobicContact CB-CE3 4.37Å; Q1008-W1238 HydrophobicContact CB-CH2 4.15Å; Q1008-W1238 HydrophobicContact CB-CZ3 3.8Å; Q1008-W1238 HydrophobicContact CG-CE3 4.23Å; Q1008-W1238 HydrophobicContact CG-CZ3 3.96Å; Q1008-W1238 VanDerWaalsContact OE1-CE3 3.26Å; F1012-W1238 HydrophobicContact CB-CH2 4.28Å; F1012-W1238 AromaticContact CD1-CH2 3.96Å; F1012-W1238 HydrophobicContact CD1-CH2 3.96Å; F1012-W1238 AromaticContact CD2-CH2 3.61Å; F1012-W1238 HydrophobicContact CD2-CH2 3.61Å; F1012-W1238 AromaticContact CD2-CZ3 3.99Å; F1012-W1238 HydrophobicContact CD2-CZ3 3.99Å; F1012-W1238 HydrophobicContact CE1-CH2 4.15Å; F1012-W1238 AromaticContact CE2-CH2 3.83Å; F1012-W1238 HydrophobicContact CE2-CH2 3.83Å; F1012-W1238 AromaticContact CE2-CZ3 3.79Å; F1012-W1238 HydrophobicContact CE2-CZ3 3.79Å; F1012-W1238 AromaticContact CG-CH2 3.69Å; F1012-W1238 HydrophobicContact CG-CH2 3.69Å; F1012-W1238 HydrophobicContact CG-CZ3 4.48Å; F1012-W1238 HydrophobicContact CZ-CH2 4.09Å; F1012-W1238 HydrophobicContact CZ-CZ3 4.08Å; L1032-W1238 HydrophobicContact CD2-CH2 4.23Å; L1032-W1238 HydrophobicContact CD2-CZ2 3.64Å; R1232-W1238 HydrophobicContact CB-CD2 4.45Å; R1232-W1238 HydrophobicContact CB-CE3 4.34Å; R1232-W1238 HydrophobicContact CB-CZ3 4.45Å; R1232-W1238 HydrophobicContact CG-CD2 3.82Å; R1232-W1238 HydrophobicContact CG-CE3 4.18Å; R1232-W1238 HydrophobicContact CG-CG 4.27Å; R1232-W1238 HydrophobicContact CG-CH2 4.34Å; R1232-W1238 HydrophobicContact CG-CZ2 3.98Å; R1232-W1238 HydrophobicContact CG-CZ3 4.42Å; D1235-W1238 HydrophobicContact CB-CB 4.21Å; D1235-W1238 WeakPolarHBondContact O-CB 3.49Å; D1235-W1238 PolarHBondContact O-N 3.11Å; D1235-W1238 VanDerWaalsContact O-N 3.13Å; D1235-W1238 WeakPolarHBondContact OD2-CA 3.38Å; D1235-W1238 PolarHBondContact OD2-N 3.38Å; W1238-E1240 PolarHBondContact O-N 3.27Å; W1238-N1241 WeakPolarHBondContact O-CB 3.01Å; W1238-N1241 VanDerWaalsContact O-CG 3.26Å; W1238-N1241 PolarHBondContact O-N 3.03Å | ||
| 1239 | Y | 96.5 | Very high | 95.3 | Very high | 5 Ų | 5 | 33 Ų | 33 | 2% | 0.02 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -23.5 | -160.7 | 83.6 | -88.1 | 0 | 0 | 0 | 115.2 | A1005 Q1008 H1009 L1032 F1237 L1253 I1256 | A1005-Y1239 VanDerWaalsContact CB-CB 3.48Å; A1005-Y1239 HydrophobicContact CB-CG 4.17Å; Q1008-Y1239 HydrophobicContact CB-CD1 3.79Å; Q1008-Y1239 HydrophobicContact CB-CE1 4.36Å; H1009-Y1239 HydrophobicContact CB-CE1 4.04Å; H1009-Y1239 AromaticContact ND1-CZ 3.44Å; H1009-Y1239 PolarHBondContact ND1-OH 2.7Å; L1032-Y1239 HydrophobicContact CD2-CE1 4.4Å; F1237-Y1239 PolarHBondContact O-N 3.01Å; Y1239-L1253 HydrophobicContact CD2-CD2 4.07Å; Y1239-L1253 VanDerWaalsContact O-CD2 3.23Å; Y1239-L1253 WeakPolarHBondContact O-CD2 3.38Å; Y1239-I1256 HydrophobicContact CD2-CG2 3.93Å; Y1239-I1256 HydrophobicContact CE2-CG2 4.06Å |
| 1240 | E | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -8.2 | 178.8 | -59.4 | -170.6 | 114.3 | 0 | 0 | 114.1 | K1033 Y1037 Y1038 R1232 W1238 R1257 | K1033-E1240 PolarHBondContact N-OE1 2.98Å; Y1037-E1240 CarbonylContact C-O 3.47Å; Y1037-E1240 VanDerWaalsContact CA-O 3.32Å; Y1037-E1240 WeakPolarHBondContact CA-O 3.49Å; Y1037-E1240 WeakPolarHBondContact CB-O 3.13Å; Y1038-E1240 VanDerWaalsContact CB-CB 3.45Å; Y1038-E1240 PolarHBondContact N-O 3.39Å; R1232-E1240 IonicContact CZ-OE2 2.62Å; R1232-E1240 IonicContact NH2-OE2 2.64Å; R1232-E1240 PolarHBondContact NH2-OE2 2.81Å; W1238-E1240 PolarHBondContact O-N 3.27Å; E1240-R1257 IonicContact OE1-CZ 3.64Å; E1240-R1257 IonicContact OE1-NE 3.8Å; E1240-R1257 IonicContact OE1-NH2 2.71Å; E1240-R1257 PolarHBondContact OE1-NH2 3.38Å |
| 1241 | N | 95 | Very high | 95.1 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.011 | 18% | 0.183 | C | C | . | . | B | Isolated β-bridge | trans | -58.8 | 145 | -168.9 | -74.8 | -8 | 0 | 0 | 0 | 113.9 | Y1037 Y1038 D1235 R1236 W1238 I1243 R1247 | Y1037-N1241 WeakPolarHBondContact CD1-O 3.29Å; Y1038-N1241 WeakPolarHBondContact O-CA 3.3Å; D1235-N1241 PolarHBondContact O-ND2 3.26Å; D1235-N1241 VanDerWaalsContact O-ND2 3.08Å; R1236-N1241 PolarHBondContact O-ND2 3.33Å; W1238-N1241 WeakPolarHBondContact O-CB 3.01Å; W1238-N1241 VanDerWaalsContact O-CG 3.26Å; W1238-N1241 PolarHBondContact O-N 3.03Å; N1241-I1243 VanDerWaalsContact C-N 3.32Å; N1241-I1243 HydrophobicContact CB-CD1 4.31Å; N1241-I1243 HydrophobicContact CB-CG1 4.3Å; N1241-R1247 VanDerWaalsContact O-CB 3.28Å; N1241-R1247 WeakPolarHBondContact O-CB 3.41Å |
| 1242 | N | 94.1 | Very high | 95 | Very high | 72 Ų | 72 | 36.8 Ų | 36.8 | 39% | 0.385 | 20% | 0.201 | S | C | . | . | trans | -81.6 | -4.4 | 178 | 64.3 | -5.1 | 0 | 0 | 0 | 115.1 | Y1037 Y1038 R1247 | Y1037-N1242 HydrophobicContact CD1-CB 4.48Å; Y1037-N1242 HydrophobicContact CG-CB 4.03Å; Y1038-N1242 PolarHBondContact O-N 3.11Å; N1242-R1247 WeakPolarHBondContact O-CD 3.48Å; N1242-R1247 PolarHBondContact O-NH1 3.4Å | ||
| 1243 | I | 93.2 | Very high | 95 | Very high | 24 Ų | 24 | 36.6 Ų | 36.6 | 12% | 0.123 | 20% | 0.201 | C | C | . | . | trans | -58.3 | 117.8 | -171.6 | -65.6 | 174.5 | 0 | 0 | 0 | 110.6 | Y1041 R1236 N1241 E1245 N1246 R1247 | Y1041-I1243 HydrophobicContact CD1-CD1 3.71Å; Y1041-I1243 HydrophobicContact CE1-CD1 4.24Å; Y1041-I1243 HydrophobicContact CG-CD1 4.16Å; R1236-I1243 HydrophobicContact CG-CD1 3.95Å; N1241-I1243 VanDerWaalsContact C-N 3.32Å; N1241-I1243 HydrophobicContact CB-CD1 4.31Å; N1241-I1243 HydrophobicContact CB-CG1 4.3Å; I1243-E1245 VanDerWaalsContact C-N 3.27Å; I1243-E1245 WeakPolarHBondContact CG2-OE2 3.36Å; I1243-E1245 PolarHBondContact O-N 3.16Å; I1243-E1245 VanDerWaalsContact O-N 3.14Å; I1243-N1246 WeakPolarHBondContact CB-OD1 3.31Å; I1243-N1246 PolarHBondContact O-N 2.83Å; I1243-R1247 WeakPolarHBondContact O-CB 3.39Å; I1243-R1247 VanDerWaalsContact O-CG 3.3Å; I1243-R1247 WeakPolarHBondContact O-CG 3.47Å; I1243-R1247 PolarHBondContact O-N 3.46Å | ||
| 1244 | P | 91.5 | Very high | 95 | Very high | 82 Ų | 82 | 37.2 Ų | 37.2 | 53% | 0.532 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -34.9 | -167.8 | -27.3 | 34.8 | 0 | 0 | 0 | 115.7 | ||
| 1245 | E | 90.5 | Very high | 94.9 | Very high | 92 Ų | 92 | 42.1 Ų | 42.1 | 43% | 0.43 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -32.5 | -170.6 | -58.2 | 68.9 | -147.5 | 0 | 0 | 112.1 | P736 I1243 | P736-E1245 WeakPolarHBondContact CA-O 3.37Å; P736-E1245 VanDerWaalsContact CB-O 3.29Å; P736-E1245 WeakPolarHBondContact CB-O 3.49Å; I1243-E1245 VanDerWaalsContact C-N 3.27Å; I1243-E1245 WeakPolarHBondContact CG2-OE2 3.36Å; I1243-E1245 PolarHBondContact O-N 3.16Å; I1243-E1245 VanDerWaalsContact O-N 3.14Å |
| 1246 | N | 91.6 | Very high | 94.8 | Very high | 7 Ų | 7 | 42.5 Ų | 42.5 | 4% | 0.037 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.7 | -10.8 | -173.3 | 74 | 4.8 | 0 | 0 | 0 | 115.4 | K1001 R1236 F1237 I1243 | K1001-N1246 WeakPolarHBondContact CE-O 3.5Å; K1001-N1246 PolarHBondContact NZ-O 3Å; R1236-N1246 PolarHBondContact O-ND2 2.04Å; F1237-N1246 HydrophobicContact CD1-CB 3.77Å; F1237-N1246 WeakPolarHBondContact CD1-ND2 3.3Å; F1237-N1246 HydrophobicContact CE1-CB 3.75Å; I1243-N1246 WeakPolarHBondContact CB-OD1 3.31Å; I1243-N1246 PolarHBondContact O-N 2.83Å |
| 1247 | R | 93.3 | Very high | 94.8 | Very high | 114 Ų | 114 | 43.7 Ų | 43.7 | 43% | 0.43 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -56.1 | 150.7 | 179.1 | 66.9 | -171.4 | -179.6 | -164 | 0.8 | 113.7 | Y1037 N1241 N1242 I1243 | Y1037-R1247 HydrophobicContact CE1-CB 4.12Å; N1241-R1247 VanDerWaalsContact O-CB 3.28Å; N1241-R1247 WeakPolarHBondContact O-CB 3.41Å; N1242-R1247 WeakPolarHBondContact O-CD 3.48Å; N1242-R1247 PolarHBondContact O-NH1 3.4Å; I1243-R1247 WeakPolarHBondContact O-CB 3.39Å; I1243-R1247 VanDerWaalsContact O-CG 3.3Å; I1243-R1247 WeakPolarHBondContact O-CG 3.47Å; I1243-R1247 PolarHBondContact O-N 3.46Å |
| 1248 | F | 95.8 | Very high | 94.7 | Very high | 10 Ų | 10 | 49.3 Ų | 49.3 | 4% | 0.044 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 156.5 | 161.9 | -69 | -80.8 | 0 | 0 | 0 | 110.6 | K1001 I1002 A1005 Y1037 Q1252 L1253 I1256 | K1001-F1248 HydrophobicContact CD-CE1 4.42Å; K1001-F1248 HydrophobicContact CD-CZ 4.35Å; K1001-F1248 HydrophobicContact CG-CE1 4.15Å; K1001-F1248 HydrophobicContact CG-CE2 4.46Å; K1001-F1248 HydrophobicContact CG-CZ 3.72Å; I1002-F1248 HydrophobicContact CG1-CE1 4.17Å; A1005-F1248 HydrophobicContact CB-CE2 3.62Å; A1005-F1248 HydrophobicContact CB-CZ 3.69Å; Y1037-F1248 WeakPolarHBondContact CE1-O 3.37Å; Y1037-F1248 PolarHBondContact OH-O 3Å; F1248-Q1252 HydrophobicContact CB-CB 3.89Å; F1248-Q1252 HydrophobicContact CD1-CB 4.03Å; F1248-Q1252 HydrophobicContact CG-CB 4.38Å; F1248-L1253 HydrophobicContact CB-CD2 3.78Å; F1248-L1253 HydrophobicContact CB-CG 3.88Å; F1248-L1253 HydrophobicContact CD2-CD2 4.18Å; F1248-L1253 HydrophobicContact CG-CD2 4.35Å; F1248-I1256 HydrophobicContact CD1-CD1 3.83Å; F1248-I1256 HydrophobicContact CD2-CD1 3.92Å; F1248-I1256 HydrophobicContact CE1-CD1 3.77Å; F1248-I1256 HydrophobicContact CE2-CD1 3.88Å; F1248-I1256 HydrophobicContact CG-CD1 3.88Å; F1248-I1256 HydrophobicContact CZ-CD1 3.77Å |
| 1249 | T | 95.6 | Very high | 94.6 | Very high | 75 Ų | 75 | 50.8 Ų | 50.8 | 46% | 0.46 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 160.2 | 170.1 | 70.6 | 0 | 0 | 0 | 0 | 111.2 | G1251 Q1252 L1253 | T1249-G1251 PolarHBondContact O-N 3.04Å; T1249-G1251 VanDerWaalsContact O-N 3.16Å; T1249-Q1252 PolarHBondContact O-N 3.42Å; T1249-Q1252 VanDerWaalsContact O-N 3.08Å; T1249-Q1252 WeakPolarHBondContact OG1-CG 3.4Å; T1249-Q1252 PolarHBondContact OG1-N 3Å; T1249-Q1252 PolarHBondContact OG1-OE1 2.97Å; T1249-L1253 PolarHBondContact O-N 2.65Å |
| 1250 | P | 94.5 | Very high | 94.4 | Very high | 89 Ų | 89 | 52 Ų | 52 | 58% | 0.578 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -58.8 | -31 | 178.4 | -25.3 | 36 | 0 | 0 | 0 | 113.5 | Y1037 A1254 | Y1037-P1250 HydrophobicContact CE2-CG 4.43Å; Y1037-P1250 WeakPolarHBondContact OH-CD 3.43Å; P1250-A1254 WeakPolarHBondContact O-CB 3.38Å; P1250-A1254 PolarHBondContact O-N 2.71Å |
| 1251 | G | 95.8 | Very high | 94.2 | Very high | 42 Ų | 42 | 52 Ų | 52 | 43% | 0.433 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -69.7 | -46.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T1249 L1253 A1254 E1255 | T1249-G1251 PolarHBondContact O-N 3.04Å; T1249-G1251 VanDerWaalsContact O-N 3.16Å; G1251-L1253 VanDerWaalsContact C-N 3.32Å; G1251-L1253 PolarHBondContact O-N 2.84Å; G1251-A1254 WeakPolarHBondContact O-CB 3.49Å; G1251-A1254 PolarHBondContact O-N 3.08Å; G1251-A1254 VanDerWaalsContact O-N 3.08Å; G1251-E1255 PolarHBondContact O-N 3.17Å |
| 1252 | Q | 95.7 | Very high | 94 | Very high | 86 Ų | 86 | 52.2 Ų | 52.2 | 40% | 0.402 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.6 | -42 | 174.1 | -74.5 | 169.3 | -29.3 | 0 | 0 | 111.6 | F1248 T1249 A1254 E1255 I1256 | F1248-Q1252 HydrophobicContact CB-CB 3.89Å; F1248-Q1252 HydrophobicContact CD1-CB 4.03Å; F1248-Q1252 HydrophobicContact CG-CB 4.38Å; T1249-Q1252 PolarHBondContact O-N 3.42Å; T1249-Q1252 VanDerWaalsContact O-N 3.08Å; T1249-Q1252 WeakPolarHBondContact OG1-CG 3.4Å; T1249-Q1252 PolarHBondContact OG1-N 3Å; T1249-Q1252 PolarHBondContact OG1-OE1 2.97Å; Q1252-A1254 VanDerWaalsContact C-N 3.32Å; Q1252-A1254 PolarHBondContact O-N 2.59Å; Q1252-E1255 PolarHBondContact O-N 2.93Å; Q1252-I1256 VanDerWaalsContact O-CG1 3.31Å; Q1252-I1256 WeakPolarHBondContact O-CG1 3.33Å; Q1252-I1256 PolarHBondContact O-N 2.76Å |
| 1253 | L | 95.6 | Very high | 93.9 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.8 | -37.4 | 173 | -70.6 | -179.4 | 0 | 0 | 0 | 112.8 | Y1037 Y1239 F1248 T1249 G1251 R1257 | Y1037-L1253 HydrophobicContact CD1-CD1 3.61Å; Y1037-L1253 HydrophobicContact CE1-CD1 3.57Å; Y1037-L1253 HydrophobicContact CG-CD1 4.46Å; Y1239-L1253 HydrophobicContact CD2-CD2 4.07Å; Y1239-L1253 VanDerWaalsContact O-CD2 3.23Å; Y1239-L1253 WeakPolarHBondContact O-CD2 3.38Å; F1248-L1253 HydrophobicContact CB-CD2 3.78Å; F1248-L1253 HydrophobicContact CB-CG 3.88Å; F1248-L1253 HydrophobicContact CD2-CD2 4.18Å; F1248-L1253 HydrophobicContact CG-CD2 4.35Å; T1249-L1253 PolarHBondContact O-N 2.65Å; G1251-L1253 VanDerWaalsContact C-N 3.32Å; G1251-L1253 PolarHBondContact O-N 2.84Å; L1253-R1257 VanDerWaalsContact O-CB 3.24Å; L1253-R1257 WeakPolarHBondContact O-CB 3.49Å; L1253-R1257 WeakPolarHBondContact O-CG 3.34Å; L1253-R1257 PolarHBondContact O-N 3.24Å |
| 1254 | A | 95.8 | Very high | 93.9 | Very high | 42 Ų | 42 | 49 Ų | 49 | 35% | 0.347 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.4 | -40 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P1250 G1251 Q1252 R1257 K1258 | P1250-A1254 WeakPolarHBondContact O-CB 3.38Å; P1250-A1254 PolarHBondContact O-N 2.71Å; G1251-A1254 WeakPolarHBondContact O-CB 3.49Å; G1251-A1254 PolarHBondContact O-N 3.08Å; G1251-A1254 VanDerWaalsContact O-N 3.08Å; Q1252-A1254 VanDerWaalsContact C-N 3.32Å; Q1252-A1254 PolarHBondContact O-N 2.59Å; A1254-R1257 PolarHBondContact O-N 3.26Å; A1254-K1258 WeakPolarHBondContact O-CG 3.28Å; A1254-K1258 PolarHBondContact O-N 3.47Å |
| 1255 | E | 95.3 | Very high | 93.9 | Very high | 105 Ų | 105 | 45 Ų | 45 | 49% | 0.491 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -69.7 | -44.6 | 174.9 | -58.7 | -45.1 | 127 | 0 | 0 | 112.3 | G1251 Q1252 R1257 K1258 T1259 | G1251-E1255 PolarHBondContact O-N 3.17Å; Q1252-E1255 PolarHBondContact O-N 2.93Å; E1255-R1257 VanDerWaalsContact C-N 3.25Å; E1255-R1257 PolarHBondContact O-N 3.17Å; E1255-K1258 WeakPolarHBondContact O-CB 3.18Å; E1255-K1258 PolarHBondContact O-N 2.84Å; E1255-K1258 WeakPolarHBondContact OE1-CE 3.26Å; E1255-K1258 IonicContact OE1-NZ 2.71Å; E1255-K1258 PolarHBondContact OE1-NZ 3.21Å; E1255-K1258 WeakPolarHBondContact OE2-CD 3.44Å; E1255-K1258 WeakPolarHBondContact OE2-CE 3.13Å; E1255-K1258 IonicContact OE2-NZ 2.74Å; E1255-K1258 PolarHBondContact OE2-NZ 2.67Å; E1255-T1259 PolarHBondContact O-N 3.46Å |
| 1256 | I | 95.8 | Very high | 93.9 | Very high | 9 Ų | 9 | 42.3 Ų | 42.3 | 5% | 0.046 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.8 | -42.5 | 173.9 | -67.5 | 162.5 | 0 | 0 | 0 | 110.1 | A1005 H1009 Y1239 F1248 Q1252 K1258 T1259 | A1005-I1256 HydrophobicContact CB-CD1 4.06Å; A1005-I1256 HydrophobicContact CB-CG2 4.38Å; H1009-I1256 HydrophobicContact CB-CG2 4.27Å; H1009-I1256 PolarHBondContact CD2-O 3.48Å; H1009-I1256 VanDerWaalsContact CD2-O 3.27Å; Y1239-I1256 HydrophobicContact CD2-CG2 3.93Å; Y1239-I1256 HydrophobicContact CE2-CG2 4.06Å; F1248-I1256 HydrophobicContact CD1-CD1 3.83Å; F1248-I1256 HydrophobicContact CD2-CD1 3.92Å; F1248-I1256 HydrophobicContact CE1-CD1 3.77Å; F1248-I1256 HydrophobicContact CE2-CD1 3.88Å; F1248-I1256 HydrophobicContact CG-CD1 3.88Å; F1248-I1256 HydrophobicContact CZ-CD1 3.77Å; Q1252-I1256 VanDerWaalsContact O-CG1 3.31Å; Q1252-I1256 WeakPolarHBondContact O-CG1 3.33Å; Q1252-I1256 PolarHBondContact O-N 2.76Å; I1256-K1258 PolarHBondContact O-N 3.02Å; I1256-T1259 WeakPolarHBondContact O-CB 3.4Å; I1256-T1259 PolarHBondContact O-N 2.96Å; I1256-T1259 PolarHBondContact O-OG1 2.71Å |
| 1257 | R | 95.3 | Very high | 93.8 | Very high | 35 Ų | 35 | 45.5 Ų | 45.5 | 13% | 0.132 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.8 | -20 | 177.8 | -77.8 | 173.1 | 171.6 | 132.8 | -0.4 | 114.6 | H1009 K1013 K1033 S1034 G1036 E1240 L1253 A1254 E1255 | H1009-R1257 WeakPolarHBondContact NE2-CA 3.41Å; H1009-R1257 PolarHBondContact NE2-O 3.08Å; K1013-R1257 PolarHBondContact NZ-O 2.58Å; K1033-R1257 VanDerWaalsContact O-CZ 3.28Å; K1033-R1257 PolarHBondContact O-NE 3.17Å; K1033-R1257 PolarHBondContact O-NH2 3.49Å; K1033-R1257 VanDerWaalsContact O-NH2 3.16Å; S1034-R1257 WeakPolarHBondContact O-CD 3.48Å; G1036-R1257 PolarHBondContact O-NH1 3.05Å; G1036-R1257 PolarHBondContact O-NH2 3.05Å; E1240-R1257 IonicContact OE1-CZ 3.64Å; E1240-R1257 IonicContact OE1-NE 3.8Å; E1240-R1257 IonicContact OE1-NH2 2.71Å; E1240-R1257 PolarHBondContact OE1-NH2 3.38Å; L1253-R1257 VanDerWaalsContact O-CB 3.24Å; L1253-R1257 WeakPolarHBondContact O-CB 3.49Å; L1253-R1257 WeakPolarHBondContact O-CG 3.34Å; L1253-R1257 PolarHBondContact O-N 3.24Å; A1254-R1257 PolarHBondContact O-N 3.26Å; E1255-R1257 VanDerWaalsContact C-N 3.25Å; E1255-R1257 PolarHBondContact O-N 3.17Å |
| 1258 | K | 94 | Very high | 93.7 | Very high | 138 Ų | 138 | 40.6 Ų | 40.6 | 60% | 0.6 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -79.3 | -22.4 | 171.6 | -66.1 | 171.3 | -159.1 | 170.2 | 0 | 113 | A1254 E1255 I1256 | A1254-K1258 WeakPolarHBondContact O-CG 3.28Å; A1254-K1258 PolarHBondContact O-N 3.47Å; E1255-K1258 WeakPolarHBondContact O-CB 3.18Å; E1255-K1258 PolarHBondContact O-N 2.84Å; E1255-K1258 WeakPolarHBondContact OE1-CE 3.26Å; E1255-K1258 IonicContact OE1-NZ 2.71Å; E1255-K1258 PolarHBondContact OE1-NZ 3.21Å; E1255-K1258 WeakPolarHBondContact OE2-CD 3.44Å; E1255-K1258 WeakPolarHBondContact OE2-CE 3.13Å; E1255-K1258 IonicContact OE2-NZ 2.74Å; E1255-K1258 PolarHBondContact OE2-NZ 2.67Å; I1256-K1258 PolarHBondContact O-N 3.02Å |
| 1259 | T | 93.7 | Very high | 93.4 | Very high | 35 Ų | 35 | 40.2 Ų | 40.2 | 22% | 0.215 | 24% | 0.235 | C | C | . | . | trans | -60.9 | 149.1 | -175.3 | 65.2 | 0 | 0 | 0 | 0 | 112.4 | V1006 H1009 K1013 E1255 I1256 | V1006-T1259 HydrophobicContact CG2-CG2 3.95Å; H1009-T1259 PolarHBondContact CD2-OG1 3.28Å; K1013-T1259 PolarHBondContact NZ-O 3.41Å; E1255-T1259 PolarHBondContact O-N 3.46Å; I1256-T1259 WeakPolarHBondContact O-CB 3.4Å; I1256-T1259 PolarHBondContact O-N 2.96Å; I1256-T1259 PolarHBondContact O-OG1 2.71Å | ||
| 1260 | S | 94.2 | Very high | 92.7 | Very high | 30 Ų | 30 | 40.1 Ų | 40.1 | 21% | 0.21 | 23% | 0.232 | C | C | . | . | trans | -150.4 | 156.3 | 178.5 | 61.6 | 0 | 0 | 0 | 0 | 109.5 | E1014 A1262 G1263 I1264 | E1014-S1260 VanDerWaalsContact OE1-CA 3.22Å; E1014-S1260 WeakPolarHBondContact OE1-CA 3.21Å; E1014-S1260 WeakPolarHBondContact OE1-CB 3.49Å; S1260-A1262 PolarHBondContact O-N 3.47Å; S1260-G1263 PolarHBondContact O-N 2.74Å; S1260-G1263 VanDerWaalsContact O-N 3.11Å; S1260-G1263 PolarHBondContact OG-N 3.39Å; S1260-G1263 VanDerWaalsContact OG-N 3.16Å; S1260-I1264 PolarHBondContact O-N 2.77Å | ||
| 1261 | L | 91.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.2 | -28.3 | 175.7 | 178.5 | 56.7 | 0 | 0 | 0 | 111.9 | F808 F812 I1010 E1014 I1265 T1279 R1280 | F808-L1261 HydrophobicContact CD1-CD2 3.79Å; F808-L1261 HydrophobicContact CE1-CD1 4.01Å; F808-L1261 HydrophobicContact CE1-CD2 3.6Å; F808-L1261 HydrophobicContact CE1-CG 4.22Å; F808-L1261 HydrophobicContact CZ-CD1 4.39Å; F812-L1261 HydrophobicContact CD2-CD2 4.17Å; I1010-L1261 HydrophobicContact CD1-CB 4.47Å; I1010-L1261 HydrophobicContact CG2-CB 4.16Å; E1014-L1261 PolarHBondContact OE1-N 2.9Å; L1261-I1265 HydrophobicContact CD1-CD1 4.3Å; L1261-I1265 HydrophobicContact CG-CD1 4.35Å; L1261-I1265 WeakPolarHBondContact O-CG1 3.32Å; L1261-I1265 PolarHBondContact O-N 2.71Å; L1261-T1279 WeakPolarHBondContact CD2-OG1 3.37Å; L1261-T1279 HydrophobicContact CG-CG2 4.31Å; L1261-R1280 HydrophobicContact CD2-CG 4.43Å |
| 1262 | A | 91.2 | Very high | 91.1 | Very high | 6 Ų | 6 | 38.1 Ų | 38.1 | 5% | 0.05 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.1 | -45.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1260 I1265 C1266 I1275 T1279 | S1260-A1262 PolarHBondContact O-N 3.47Å; A1262-I1265 PolarHBondContact O-N 3.19Å; A1262-C1266 PolarHBondContact O-N 3.29Å; A1262-C1266 PolarHBondContact O-SG 3.32Å; A1262-I1275 HydrophobicContact CB-CG2 4.03Å; A1262-T1279 HydrophobicContact CB-CG2 3.86Å |
| 1263 | G | 91.7 | Very high | 90.1 | Very high | 24 Ų | 24 | 39.7 Ų | 39.7 | 25% | 0.247 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.1 | -43.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1260 I1265 C1266 N1267 | S1260-G1263 PolarHBondContact O-N 2.74Å; S1260-G1263 VanDerWaalsContact O-N 3.11Å; S1260-G1263 PolarHBondContact OG-N 3.39Å; S1260-G1263 VanDerWaalsContact OG-N 3.16Å; G1263-I1265 VanDerWaalsContact C-N 3.29Å; G1263-I1265 PolarHBondContact O-N 3.28Å; G1263-C1266 PolarHBondContact O-N 3.11Å; G1263-N1267 WeakPolarHBondContact O-CB 3.44Å; G1263-N1267 PolarHBondContact O-N 3.08Å; G1263-N1267 PolarHBondContact O-ND2 2.87Å; G1263-N1267 PolarHBondContact O-OD1 2.79Å |
| 1264 | I | 92.8 | Very high | 89.1 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.6 | -39.7 | 177.1 | -63 | 176.4 | 0 | 0 | 0 | 111.2 | F972 E975 V1006 I1010 S1260 N1267 N1268 | F972-I1264 HydrophobicContact CE1-CD1 4.33Å; F972-I1264 HydrophobicContact CZ-CD1 4.15Å; E975-I1264 HydrophobicContact CB-CG2 4.13Å; E975-I1264 HydrophobicContact CG-CG1 4.45Å; E975-I1264 HydrophobicContact CG-CG2 4.27Å; V1006-I1264 HydrophobicContact CG1-CD1 3.7Å; I1010-I1264 HydrophobicContact CD1-CD1 3.41Å; I1010-I1264 VanDerWaalsContact CD1-CD1 3.41Å; I1010-I1264 HydrophobicContact CD1-CG1 4.39Å; S1260-I1264 PolarHBondContact O-N 2.77Å; I1264-N1267 PolarHBondContact O-N 3.3Å; I1264-N1268 PolarHBondContact O-N 3.02Å; I1264-N1268 PolarHBondContact O-ND2 3.15Å |
| 1265 | I | 91.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.4 | -45.7 | 177.7 | -65.4 | 168.9 | 0 | 0 | 0 | 110.8 | F808 L971 L1111 L1261 A1262 G1263 N1267 N1268 M1269 V1272 I1275 T1279 | F808-I1265 HydrophobicContact CE2-CD1 4.31Å; F808-I1265 HydrophobicContact CZ-CD1 4.31Å; L971-I1265 HydrophobicContact CD1-CD1 4.43Å; L971-I1265 HydrophobicContact CD1-CG1 3.82Å; L971-I1265 HydrophobicContact CD2-CG1 4.14Å; L1111-I1265 HydrophobicContact CD1-CD1 4.21Å; L1111-I1265 HydrophobicContact CD2-CD1 4.2Å; L1261-I1265 HydrophobicContact CD1-CD1 4.3Å; L1261-I1265 HydrophobicContact CG-CD1 4.35Å; L1261-I1265 WeakPolarHBondContact O-CG1 3.32Å; L1261-I1265 PolarHBondContact O-N 2.71Å; A1262-I1265 PolarHBondContact O-N 3.19Å; G1263-I1265 VanDerWaalsContact C-N 3.29Å; G1263-I1265 PolarHBondContact O-N 3.28Å; I1265-N1267 VanDerWaalsContact C-N 3.26Å; I1265-N1267 PolarHBondContact O-N 2.87Å; I1265-N1268 PolarHBondContact O-N 2.94Å; I1265-M1269 HydrophobicContact CG2-SD 4.11Å; I1265-M1269 WeakPolarHBondContact O-CB 3.29Å; I1265-M1269 PolarHBondContact O-N 3.42Å; I1265-M1269 VanDerWaalsContact O-N 3.08Å; I1265-V1272 HydrophobicContact CG2-CB 4.41Å; I1265-V1272 HydrophobicContact CG2-CG1 4.1Å; I1265-V1272 HydrophobicContact CG2-CG2 4.34Å; I1265-I1275 HydrophobicContact CB-CD1 3.95Å; I1265-I1275 HydrophobicContact CD1-CD1 4.05Å; I1265-I1275 HydrophobicContact CG2-CD1 3.8Å; I1265-T1279 HydrophobicContact CD1-CG2 4.3Å |
| 1266 | C | 90.5 | Very high | 87 | Confident | 35 Ų | 35 | 36.5 Ų | 36.5 | 24% | 0.236 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.2 | -37.6 | 173 | -70.2 | 0 | 0 | 0 | 0 | 112.7 | A1262 G1263 N1268 C1290 | A1262-C1266 PolarHBondContact O-N 3.29Å; A1262-C1266 PolarHBondContact O-SG 3.32Å; G1263-C1266 PolarHBondContact O-N 3.11Å; C1266-N1268 PolarHBondContact O-N 3Å; C1266-C1290 HydrophobicContact CB-CB 3.63Å; C1266-C1290 WeakPolarHBondContact CB-SG 3.47Å; C1266-C1290 WeakPolarHBondContact SG-CB 2.83Å; C1266-C1290 CovalentContact SG-SG 2.04Å; C1266-C1290 PolarHBondContact SG-SG 2.86Å |
| 1267 | N | 90.3 | Very high | 85.6 | Confident | 74 Ų | 74 | 38.7 Ų | 38.7 | 40% | 0.396 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -71.8 | -23.4 | -176.3 | -77 | -9.1 | 0 | 0 | 0 | 114.3 | E975 R978 G1263 I1264 I1265 | E975-N1267 PolarHBondContact OE1-ND2 2.84Å; R978-N1267 WeakPolarHBondContact CD-O 3.44Å; R978-N1267 PolarHBondContact NH2-ND2 3.25Å; G1263-N1267 WeakPolarHBondContact O-CB 3.44Å; G1263-N1267 PolarHBondContact O-N 3.08Å; G1263-N1267 PolarHBondContact O-ND2 2.87Å; G1263-N1267 PolarHBondContact O-OD1 2.79Å; I1264-N1267 PolarHBondContact O-N 3.3Å; I1265-N1267 VanDerWaalsContact C-N 3.26Å; I1265-N1267 PolarHBondContact O-N 2.87Å |
| 1268 | N | 91.2 | Very high | 84.1 | Confident | 11 Ų | 11 | 45 Ų | 45 | 6% | 0.059 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -127.2 | -5.8 | -167.2 | -62.7 | -74.9 | 0 | 0 | 0 | 114.6 | L971 S974 E975 I1264 I1265 C1266 | L971-N1268 HydrophobicContact CD2-CB 4.18Å; S974-N1268 VanDerWaalsContact C-OD1 3.25Å; S974-N1268 WeakPolarHBondContact CB-OD1 3.35Å; S974-N1268 PolarHBondContact O-OD1 3.36Å; E975-N1268 PolarHBondContact N-OD1 2.91Å; E975-N1268 PolarHBondContact OE2-ND2 3.31Å; I1264-N1268 PolarHBondContact O-N 3.02Å; I1264-N1268 PolarHBondContact O-ND2 3.15Å; I1265-N1268 PolarHBondContact O-N 2.94Å; C1266-N1268 PolarHBondContact O-N 3Å |
| 1269 | M | 88.2 | Confident | 82.2 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | trans | -122.8 | 92.7 | 177.2 | -66.2 | -169.1 | 167.3 | 0 | 0 | 111.1 | I931 V967 L971 V1103 Q1104 A1107 I1265 R1271 V1272 | I931-M1269 HydrophobicContact CD1-CE 4.1Å; I931-M1269 HydrophobicContact CD1-CG 4.39Å; I931-M1269 HydrophobicContact CG1-CG 4.42Å; V967-M1269 HydrophobicContact CG1-CE 4Å; L971-M1269 HydrophobicContact CD1-CE 4.27Å; L971-M1269 HydrophobicContact CD2-CE 3.82Å; L971-M1269 HydrophobicContact CD2-CG 4.1Å; L971-M1269 HydrophobicContact CD2-SD 4.34Å; L971-M1269 HydrophobicContact CG-CE 3.97Å; V1103-M1269 HydrophobicContact CG1-CE 3.89Å; Q1104-M1269 HydrophobicContact CB-SD 4.43Å; Q1104-M1269 HydrophobicContact CG-CB 4.06Å; Q1104-M1269 HydrophobicContact CG-CG 4.11Å; Q1104-M1269 HydrophobicContact CG-SD 3.98Å; A1107-M1269 HydrophobicContact CB-CE 3.74Å; A1107-M1269 HydrophobicContact CB-SD 3.71Å; I1265-M1269 HydrophobicContact CG2-SD 4.11Å; I1265-M1269 WeakPolarHBondContact O-CB 3.29Å; I1265-M1269 PolarHBondContact O-N 3.42Å; I1265-M1269 VanDerWaalsContact O-N 3.08Å; M1269-R1271 PolarHBondContact O-N 2.59Å; M1269-V1272 HydrophobicContact CB-CB 4.16Å; M1269-V1272 HydrophobicContact CB-CG2 3.73Å; M1269-V1272 PolarHBondContact O-N 2.99Å; M1269-V1272 HydrophobicContact SD-CG2 4.12Å | ||
| 1270 | D | 82.1 | Confident | 80.1 | Confident | 74 Ų | 74 | 37 Ų | 37 | 40% | 0.396 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -28.5 | -173 | -69.7 | -46.2 | 0 | 0 | 0 | 114.1 | G930 K1273 | G930-D1270 PolarHBondContact O-N 3.48Å; G930-D1270 VanDerWaalsContact O-N 3.14Å; D1270-K1273 WeakPolarHBondContact O-CE 3.45Å; D1270-K1273 PolarHBondContact O-NZ 2.83Å |
| 1271 | R | 78.2 | Confident | 77.7 | Confident | 82 Ų | 82 | 38.4 Ų | 38.4 | 31% | 0.309 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -19.8 | -179.5 | -58.9 | -177.7 | -173.3 | -124.9 | -11.9 | 113.2 | P929 P1074 Q1075 S1100 Q1104 M1269 K1273 | P929-R1271 PolarHBondContact O-NE 3.2Å; P1074-R1271 HydrophobicContact CG-CB 4.47Å; Q1075-R1271 WeakPolarHBondContact CG-O 3.32Å; Q1075-R1271 PolarHBondContact NE2-O 2.89Å; S1100-R1271 PolarHBondContact O-NH1 2.94Å; Q1104-R1271 HydrophobicContact CG-CB 4.4Å; M1269-R1271 PolarHBondContact O-N 2.59Å; R1271-K1273 PolarHBondContact O-N 2.61Å |
| 1272 | V | 78.5 | Confident | 75.7 | Confident | 7 Ų | 7 | 41.2 Ų | 41.2 | 4% | 0.042 | 20% | 0.201 | C | C | . | . | trans | -87.1 | 92.4 | 179.6 | -177.1 | 0 | 0 | 0 | 0 | 109.4 | P1074 I1265 M1269 I1275 C1290 | P1074-V1272 HydrophobicContact CB-CG2 4.16Å; I1265-V1272 HydrophobicContact CG2-CB 4.41Å; I1265-V1272 HydrophobicContact CG2-CG1 4.1Å; I1265-V1272 HydrophobicContact CG2-CG2 4.34Å; M1269-V1272 HydrophobicContact CB-CB 4.16Å; M1269-V1272 HydrophobicContact CB-CG2 3.73Å; M1269-V1272 PolarHBondContact O-N 2.99Å; M1269-V1272 HydrophobicContact SD-CG2 4.12Å; V1272-I1275 HydrophobicContact CG1-CB 4.48Å; V1272-C1290 PolarHBondContact O-SG 3.01Å | ||
| 1273 | K | 75.1 | Confident | 73.7 | Confident | 118 Ų | 118 | 44 Ų | 44 | 51% | 0.513 | 22% | 0.217 | S | C | . | . | trans | -93.8 | -13.4 | 178.6 | -60.3 | -50 | -165.9 | -159 | 0 | 114.8 | D1270 R1271 C1290 | D1270-K1273 WeakPolarHBondContact O-CE 3.45Å; D1270-K1273 PolarHBondContact O-NZ 2.83Å; R1271-K1273 PolarHBondContact O-N 2.61Å; K1273-C1290 PolarHBondContact O-N 2.86Å | ||
| 1274 | K | 73.6 | Confident | 71 | Confident | 67 Ų | 67 | 47.9 Ų | 47.9 | 29% | 0.291 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 133.9 | 179.2 | -69.6 | -175.2 | 174.8 | -174.5 | 0 | 110.7 | Y1288 Y1289 | K1274-Y1288 WeakPolarHBondContact CA-O 3.33Å; K1274-Y1289 HydrophobicContact CD-CE1 4.42Å; K1274-Y1289 HydrophobicContact CG-CD1 4.31Å; K1274-Y1289 PolarHBondContact NZ-OH 3.16Å |
| 1275 | I | 76.5 | Confident | 68.2 | Low | 7 Ų | 7 | 54.5 Ų | 54.5 | 4% | 0.036 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 157.3 | 179.7 | -163.1 | 161.9 | 0 | 0 | 0 | 110.3 | L1111 A1262 I1265 V1272 T1279 Y1288 | L1111-I1275 HydrophobicContact CD1-CD1 3.64Å; L1111-I1275 HydrophobicContact CD1-CG1 4.18Å; L1111-I1275 HydrophobicContact CD2-CD1 4.26Å; A1262-I1275 HydrophobicContact CB-CG2 4.03Å; I1265-I1275 HydrophobicContact CB-CD1 3.95Å; I1265-I1275 HydrophobicContact CD1-CD1 4.05Å; I1265-I1275 HydrophobicContact CG2-CD1 3.8Å; V1272-I1275 HydrophobicContact CG1-CB 4.48Å; I1275-T1279 HydrophobicContact CD1-CG2 3.84Å; I1275-T1279 HydrophobicContact CG1-CG2 4.21Å; I1275-Y1288 PolarHBondContact N-O 3.25Å; I1275-Y1288 PolarHBondContact O-N 2.93Å; I1275-Y1288 VanDerWaalsContact O-N 3.15Å |
| 1276 | Q | 71.4 | Confident | 65.3 | Low | 9 Ų | 9 | 56.4 Ų | 56.4 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | trans | -78 | 132.7 | 169.6 | 70 | -79.9 | 19.7 | 0 | 0 | 110.3 | L1111 R1278 T1279 T1283 | L1111-Q1276 PolarHBondContact O-NE2 3Å; Q1276-R1278 PolarHBondContact O-N 3.29Å; Q1276-T1279 PolarHBondContact NE2-O 3.41Å; Q1276-T1279 PolarHBondContact O-N 2.98Å; Q1276-T1283 HydrophobicContact CB-CG2 4.22Å; Q1276-T1283 WeakPolarHBondContact CB-OG1 3.44Å | ||
| 1277 | P | 65 | Low | 62.7 | Low | 54 Ų | 54 | 58.8 Ų | 58.8 | 35% | 0.351 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -59.7 | -22.8 | -175.5 | -27.3 | 34.3 | 0 | 0 | 0 | 114.8 | Y1288 | P1277-Y1288 VanDerWaalsContact CD-CD2 3.42Å; P1277-Y1288 HydrophobicContact CG-CD1 4.16Å; P1277-Y1288 HydrophobicContact CG-CD2 3.29Å; P1277-Y1288 HydrophobicContact CG-CE1 4.39Å; P1277-Y1288 HydrophobicContact CG-CE2 3.58Å; P1277-Y1288 HydrophobicContact CG-CG 3.61Å |
| 1278 | R | 65 | Low | 60.2 | Low | 167 Ų | 167 | 60.4 Ų | 60.4 | 63% | 0.63 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -116.1 | 76.1 | 175.5 | -67.7 | 172.7 | 173.6 | 154.3 | -3.8 | 108.3 | Q1276 R1280 K1281 | Q1276-R1278 PolarHBondContact O-N 3.29Å; R1278-R1280 PolarHBondContact O-N 3.07Å; R1278-K1281 PolarHBondContact O-N 3.47Å |
| 1279 | T | 53.7 | Low | 57.6 | Low | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -42.5 | -36.8 | -175.2 | 52.8 | 0 | 0 | 0 | 0 | 114.6 | S806 L1111 L1261 A1262 I1265 I1275 Q1276 K1281 | S806-T1279 PolarHBondContact OG-O 3.43Å; L1111-T1279 HydrophobicContact CD2-CG2 3.73Å; L1261-T1279 WeakPolarHBondContact CD2-OG1 3.37Å; L1261-T1279 HydrophobicContact CG-CG2 4.31Å; A1262-T1279 HydrophobicContact CB-CG2 3.86Å; I1265-T1279 HydrophobicContact CD1-CG2 4.3Å; I1275-T1279 HydrophobicContact CD1-CG2 3.84Å; I1275-T1279 HydrophobicContact CG1-CG2 4.21Å; Q1276-T1279 PolarHBondContact NE2-O 3.41Å; Q1276-T1279 PolarHBondContact O-N 2.98Å; T1279-K1281 VanDerWaalsContact C-N 3.31Å; T1279-K1281 PolarHBondContact O-N 2.78Å |
| 1280 | R | 49.4 | Very low | 55.1 | Low | 5 Ų | 5 | 68.9 Ų | 68.9 | 2% | 0.019 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -4.6 | -178.4 | -60.8 | -179.8 | -179.2 | 121.8 | -16.3 | 115.3 | Y805 S806 L809 F812 I1010 E1014 L1261 R1278 | Y805-R1280 WeakPolarHBondContact CA-O 3.22Å; Y805-R1280 WeakPolarHBondContact CD1-O 3.39Å; S806-R1280 PolarHBondContact N-O 3.26Å; S806-R1280 WeakPolarHBondContact OG-CA 3.22Å; L809-R1280 HydrophobicContact CB-CB 4.24Å; L809-R1280 HydrophobicContact CB-CG 4.38Å; L809-R1280 HydrophobicContact CD1-CB 4.28Å; F812-R1280 VanDerWaalsContact CD2-NH2 3.25Å; F812-R1280 VanDerWaalsContact CE2-NH2 3.31Å; I1010-R1280 VanDerWaalsContact CG2-NH2 3.27Å; I1010-R1280 PolarHBondContact O-NH1 2.82Å; E1014-R1280 IonicContact OE2-NH1 3.88Å; E1014-R1280 PolarHBondContact OE2-NH1 3.08Å; E1014-R1280 VanDerWaalsContact OE2-NH1 3.09Å; L1261-R1280 HydrophobicContact CD2-CG 4.43Å; R1278-R1280 PolarHBondContact O-N 3.07Å |
| 1281 | K | 44.9 | Very low | 52.7 | Low | 61 Ų | 61 | 71.7 Ų | 71.7 | 27% | 0.265 | 36% | 0.363 | S | S | . | . | B | Isolated β-bridge | trans | -113 | 144.2 | 169.9 | -74.4 | -174.6 | 178.1 | -178.8 | 0 | 110 | K804 Y805 R1278 T1279 | K804-K1281 WeakPolarHBondContact O-CA 3.47Å; Y805-K1281 HydrophobicContact CD1-CG 4.24Å; Y805-K1281 HydrophobicContact CE1-CG 4.28Å; R1278-K1281 PolarHBondContact O-N 3.47Å; T1279-K1281 VanDerWaalsContact C-N 3.31Å; T1279-K1281 PolarHBondContact O-N 2.78Å |
| 1282 | L | 48.2 | Very low | 50.7 | Low | 59 Ų | 59 | 72.8 Ų | 72.8 | 31% | 0.309 | 38% | 0.383 | S | S | . | . | trans | -75.6 | 134.3 | 162.9 | -62.9 | 174.7 | 0 | 0 | 0 | 109.3 | K804 R1112 P1114 | K804-L1282 PolarHBondContact O-N 3.13Å; R1112-L1282 WeakPolarHBondContact O-CD2 3.38Å; P1114-L1282 HydrophobicContact CB-CD1 3.81Å | ||
| 1283 | T | 49 | Very low | 48.8 | Very low | 65 Ų | 65 | 78.3 Ų | 78.3 | 40% | 0.399 | 41% | 0.409 | S | S | . | . | trans | -112.7 | 126.8 | 171.7 | 48 | 0 | 0 | 0 | 0 | 109.3 | Q1276 A1286 | Q1276-T1283 HydrophobicContact CB-CG2 4.22Å; Q1276-T1283 WeakPolarHBondContact CB-OG1 3.44Å; T1283-A1286 PolarHBondContact OG1-O 3.07Å | ||
| 1284 | A | 36.9 | Very low | 47 | Very low | 105 Ų | 105 | 79.7 Ų | 79.7 | 87% | 0.868 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -72.1 | -30.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1285 | T | 33.2 | Very low | 45.5 | Very low | 144 Ų | 144 | 85.6 Ų | 85.6 | 88% | 0.883 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -141.8 | -4.9 | -164.3 | 45.1 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1286 | A | 30 | Very low | 44 | Very low | 39 Ų | 39 | 87.5 Ų | 87.5 | 32% | 0.322 | 45% | 0.448 | S | S | . | . | trans | -118.5 | 118.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T1283 Y1288 | T1283-A1286 PolarHBondContact OG1-O 3.07Å; A1286-Y1288 HydrophobicContact CB-CE2 4.21Å | ||
| 1287 | Q | 35.6 | Very low | 43.1 | Very low | 86 Ų | 86 | 92.2 Ų | 92.2 | 40% | 0.402 | 48% | 0.483 | S | S | . | . | trans | -129.9 | 131.4 | 172.9 | -66.2 | 179.4 | 7.4 | 0 | 0 | 108.7 | H1077 | H1077-Q1287 PolarHBondContact CE1-OE1 2.8Š| ||
| 1288 | Y | 39.2 | Very low | 42.6 | Very low | 107 Ų | 107 | 97.9 Ų | 97.9 | 42% | 0.42 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 153.8 | -178.1 | -70.4 | -117.9 | 0 | 0 | 0 | 109.8 | K1274 I1275 P1277 A1286 E1317 | K1274-Y1288 WeakPolarHBondContact CA-O 3.33Å; I1275-Y1288 PolarHBondContact N-O 3.25Å; I1275-Y1288 PolarHBondContact O-N 2.93Å; I1275-Y1288 VanDerWaalsContact O-N 3.15Å; P1277-Y1288 VanDerWaalsContact CD-CD2 3.42Å; P1277-Y1288 HydrophobicContact CG-CD1 4.16Å; P1277-Y1288 HydrophobicContact CG-CD2 3.29Å; P1277-Y1288 HydrophobicContact CG-CE1 4.39Å; P1277-Y1288 HydrophobicContact CG-CE2 3.58Å; P1277-Y1288 HydrophobicContact CG-CG 3.61Å; A1286-Y1288 HydrophobicContact CB-CE2 4.21Å; Y1288-E1317 WeakPolarHBondContact CE1-OE2 3.41Å; Y1288-E1317 PolarHBondContact OH-OE2 3.09Å |
| 1289 | Y | 35.6 | Very low | 42.2 | Very low | 158 Ų | 158 | 98.6 Ų | 98.6 | 62% | 0.62 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 137.3 | 179 | -70.4 | -92.3 | 0 | 0 | 0 | 111.2 | K1274 I1291 | K1274-Y1289 HydrophobicContact CD-CE1 4.42Å; K1274-Y1289 HydrophobicContact CG-CD1 4.31Å; K1274-Y1289 PolarHBondContact NZ-OH 3.16Å; Y1289-I1291 PolarHBondContact O-N 2.76Å; Y1289-I1291 VanDerWaalsContact O-N 3.14Å |
| 1290 | C | 36.1 | Very low | 42.6 | Very low | 33 Ų | 33 | 100.2 Ų | 100.2 | 22% | 0.223 | 51% | 0.513 | C | S | . | . | trans | -72.5 | 99.3 | 166.5 | -67.2 | 0 | 0 | 0 | 0 | 109.2 | C1266 V1272 K1273 | C1266-C1290 HydrophobicContact CB-CB 3.63Å; C1266-C1290 WeakPolarHBondContact CB-SG 3.47Å; C1266-C1290 WeakPolarHBondContact SG-CB 2.83Å; C1266-C1290 CovalentContact SG-SG 2.04Å; C1266-C1290 PolarHBondContact SG-SG 2.86Å; V1272-C1290 PolarHBondContact O-SG 3.01Å; K1273-C1290 PolarHBondContact O-N 2.86Å | ||
| 1291 | I | 32.7 | Very low | 43.4 | Very low | 133 Ų | 133 | 108.1 Ų | 108.1 | 68% | 0.682 | 55% | 0.55 | S | S | * | . | trans | -103.2 | 119.2 | 176.3 | -56.1 | 176.8 | 0 | 0 | 0 | 109.7 | Y1289 | Y1289-I1291 PolarHBondContact O-N 2.76Å; Y1289-I1291 VanDerWaalsContact O-N 3.14Å | ||
| 1292 | S | 35 | Very low | 44.5 | Very low | 104 Ų | 104 | 111.2 Ų | 111.2 | 73% | 0.727 | 57% | 0.569 | S | S | * | * | trans | -101.1 | 136.5 | 172 | 56.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1293 | E | 39.3 | Very low | 45.5 | Very low | 124 Ų | 124 | 109.3 Ų | 109.3 | 58% | 0.579 | 56% | 0.561 | S | S | * | * | trans | 61.2 | 105.4 | -175.1 | -64.2 | -165.1 | -167.1 | 0 | 0 | 115.8 | R1295 | E1293-R1295 PolarHBondContact O-N 3.31Å; E1293-R1295 IonicContact OE2-NE 2.7Å; E1293-R1295 IonicContact OE2-NH2 3.62Å | ||
| 1294 | F | 37.2 | Very low | 46.4 | Very low | 146 Ų | 146 | 110.2 Ų | 110.2 | 64% | 0.64 | 56% | 0.563 | S | S | * | * | trans | -89.4 | 94.6 | 171.3 | -144.6 | -82.5 | 0 | 0 | 0 | 110.4 | C1321 | F1294-C1321 HydrophobicContact CZ-CB 3.87Š| ||
| 1295 | R | 41.5 | Very low | 47.9 | Very low | 192 Ų | 192 | 107.6 Ų | 107.6 | 73% | 0.725 | 54% | 0.541 | S | S | * | . | trans | -98.6 | 121.3 | 169 | -67.4 | -171.9 | -173.5 | -152.7 | 1.4 | 110 | E1293 S1297 | E1293-R1295 PolarHBondContact O-N 3.31Å; E1293-R1295 IonicContact OE2-NE 2.7Å; E1293-R1295 IonicContact OE2-NH2 3.62Å; R1295-S1297 PolarHBondContact O-N 3.35Å | ||
| 1296 | C | 44.6 | Very low | 49.3 | Very low | 46 Ų | 46 | 103.1 Ų | 103.1 | 31% | 0.311 | 51% | 0.512 | S | S | . | . | trans | -72.2 | 81.4 | 171 | -158.5 | 0 | 0 | 0 | 0 | 109 | K1298 C1325 Q1329 | C1296-K1298 PolarHBondContact O-N 3.11Å; C1296-C1325 WeakPolarHBondContact CB-SG 3.31Å; C1296-C1325 WeakPolarHBondContact SG-CB 3.12Å; C1296-C1325 CovalentContact SG-SG 2.05Å; C1296-C1325 PolarHBondContact SG-SG 3.42Å; C1296-Q1329 PolarHBondContact SG-NE2 2.81Å; C1296-Q1329 VanDerWaalsContact SG-NE2 3.41Å | ||
| 1297 | S | 52.9 | Low | 50.9 | Low | 109 Ų | 109 | 103.7 Ų | 103.7 | 76% | 0.762 | 51% | 0.508 | S | S | * | . | trans | -85.5 | -2.5 | -160.6 | 58 | 0 | 0 | 0 | 0 | 115.7 | R1295 | R1295-S1297 PolarHBondContact O-N 3.35Š| ||
| 1298 | K | 53.5 | Low | 52.3 | Low | 172 Ų | 172 | 105.2 Ų | 105.2 | 75% | 0.748 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -141.8 | 147.2 | 173.7 | -67.4 | -171.3 | 176.4 | -174.8 | 0 | 110.5 | C1296 Q1329 | C1296-K1298 PolarHBondContact O-N 3.11Å; K1298-Q1329 PolarHBondContact O-NE2 3.34Å; K1298-Q1329 VanDerWaalsContact O-NE2 3.09Å |
| 1299 | R | 56.9 | Low | 53.4 | Low | 182 Ų | 182 | 110.1 Ų | 110.1 | 69% | 0.687 | 54% | 0.537 | S | S | * | . | trans | -63.8 | 135.7 | 166.7 | -163 | 179.4 | -169.2 | -170.7 | 3.5 | 108.4 | E1301 E1333 | R1299-E1301 PolarHBondContact O-N 3.25Å; R1299-E1333 IonicContact CZ-OE1 2.67Å; R1299-E1333 VanDerWaalsContact CZ-OE1 3.3Å; R1299-E1333 IonicContact NE-OE1 2.78Å; R1299-E1333 PolarHBondContact NE-OE1 3.07Å; R1299-E1333 VanDerWaalsContact NE-OE1 3.1Å; R1299-E1333 IonicContact NH2-OE1 3.81Å; R1299-E1333 PolarHBondContact NH2-OE1 2.9Å | ||
| 1300 | I | 63.5 | Low | 54.4 | Low | 34 Ų | 34 | 107.4 Ų | 107.4 | 17% | 0.174 | 53% | 0.527 | C | S | . | . | trans | -92.8 | 100 | 174.7 | -61.1 | 174.1 | 0 | 0 | 0 | 106.8 | C1303 L1306 F1322 C1325 | I1300-C1303 PolarHBondContact O-SG 3.35Å; I1300-C1303 VanDerWaalsContact O-SG 3.4Å; I1300-L1306 HydrophobicContact CG2-CD1 3.92Å; I1300-F1322 HydrophobicContact CD1-CD1 4.14Å; I1300-C1325 HydrophobicContact CD1-CB 3.64Å | ||
| 1301 | E | 64.9 | Low | 55 | Low | 172 Ų | 172 | 112.3 Ų | 112.3 | 80% | 0.804 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 142.2 | 170.6 | -66.5 | 178.9 | 174.4 | 0 | 0 | 109.6 | R1299 | R1299-E1301 PolarHBondContact O-N 3.25Š|
| 1302 | N | 68.5 | Low | 55.7 | Low | 125 Ų | 125 | 113 Ų | 113 | 67% | 0.668 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.1 | 31.4 | 179.6 | -124 | -17.6 | 0 | 0 | 0 | 116.2 | D1304 A1305 L1306 | N1302-D1304 PolarHBondContact O-N 3.21Å; N1302-A1305 HydrophobicContact CB-CB 4.29Å; N1302-A1305 PolarHBondContact O-N 3.42Å; N1302-A1305 VanDerWaalsContact O-N 3.08Å; N1302-A1305 WeakPolarHBondContact OD1-CB 3.35Å; N1302-L1306 PolarHBondContact O-N 3.05Å; N1302-L1306 VanDerWaalsContact O-N 3.17Å |
| 1303 | C | 69 | Low | 55.8 | Low | 19 Ų | 19 | 114.2 Ų | 114.2 | 13% | 0.128 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -51.4 | -35 | 172.2 | -83.5 | 0 | 0 | 0 | 0 | 114 | I1300 L1306 M1307 C1326 | I1300-C1303 PolarHBondContact O-SG 3.35Å; I1300-C1303 VanDerWaalsContact O-SG 3.4Å; C1303-L1306 WeakPolarHBondContact O-CB 3.47Å; C1303-L1306 PolarHBondContact O-N 3.42Å; C1303-M1307 VanDerWaalsContact O-CG 3.3Å; C1303-M1307 WeakPolarHBondContact O-CG 3.47Å; C1303-M1307 PolarHBondContact O-N 3.06Å; C1303-C1326 HydrophobicContact CB-CB 3.89Å; C1303-C1326 WeakPolarHBondContact CB-SG 3.43Å; C1303-C1326 VanDerWaalsContact SG-CA 3.52Å; C1303-C1326 WeakPolarHBondContact SG-CB 3.34Å; C1303-C1326 CovalentContact SG-SG 2.05Å; C1303-C1326 PolarHBondContact SG-SG 3.26Å |
| 1304 | D | 68.1 | Low | 55.8 | Low | 84 Ų | 84 | 117.4 Ų | 117.4 | 45% | 0.449 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.8 | -38.2 | 177.8 | -70.8 | -27 | 0 | 0 | 0 | 112.8 | N1302 L1306 M1307 N1308 R1330 | N1302-D1304 PolarHBondContact O-N 3.21Å; D1304-L1306 VanDerWaalsContact C-N 3.3Å; D1304-L1306 PolarHBondContact O-N 3.37Å; D1304-M1307 PolarHBondContact O-N 3.41Å; D1304-N1308 WeakPolarHBondContact O-CB 3.41Å; D1304-N1308 PolarHBondContact O-N 2.91Å; D1304-N1308 PolarHBondContact O-ND2 3.29Å; D1304-R1330 IonicContact OD1-CZ 3.68Å; D1304-R1330 IonicContact OD1-NE 2.75Å; D1304-R1330 PolarHBondContact OD1-NE 3.15Å; D1304-R1330 IonicContact OD1-NH2 3.83Å; D1304-R1330 PolarHBondContact OD1-NH2 2.95Å |
| 1305 | A | 68.3 | Low | 56 | Low | 50 Ų | 50 | 114 Ų | 114 | 41% | 0.413 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.9 | -32.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | N1302 R1309 | N1302-A1305 HydrophobicContact CB-CB 4.29Å; N1302-A1305 PolarHBondContact O-N 3.42Å; N1302-A1305 VanDerWaalsContact O-N 3.08Å; N1302-A1305 WeakPolarHBondContact OD1-CB 3.35Å; A1305-R1309 WeakPolarHBondContact O-CB 3.44Å; A1305-R1309 PolarHBondContact O-N 2.71Å |
| 1306 | L | 61.8 | Low | 56.1 | Low | 51 Ų | 51 | 112.2 Ų | 112.2 | 27% | 0.267 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.7 | -52 | 172 | -102.3 | 139 | 0 | 0 | 0 | 111.8 | I1300 N1302 C1303 D1304 N1308 R1309 Y1310 | I1300-L1306 HydrophobicContact CG2-CD1 3.92Å; N1302-L1306 PolarHBondContact O-N 3.05Å; N1302-L1306 VanDerWaalsContact O-N 3.17Å; C1303-L1306 WeakPolarHBondContact O-CB 3.47Å; C1303-L1306 PolarHBondContact O-N 3.42Å; D1304-L1306 VanDerWaalsContact C-N 3.3Å; D1304-L1306 PolarHBondContact O-N 3.37Å; L1306-N1308 VanDerWaalsContact C-N 3.32Å; L1306-N1308 PolarHBondContact O-N 3.09Å; L1306-R1309 PolarHBondContact O-N 2.95Å; L1306-Y1310 HydrophobicContact CD2-CE2 4.04Å; L1306-Y1310 WeakPolarHBondContact O-CD2 3.48Å |
| 1307 | M | 65.5 | Low | 56.3 | Low | 50 Ų | 50 | 116.3 Ų | 116.3 | 25% | 0.246 | 58% | 0.577 | C | S | . | * | H | α-helix | trans | -60.4 | -40.4 | -179 | -70.5 | -66 | -67.9 | 0 | 0 | 112.1 | C1303 D1304 R1309 L1323 L1327 | C1303-M1307 VanDerWaalsContact O-CG 3.3Å; C1303-M1307 WeakPolarHBondContact O-CG 3.47Å; C1303-M1307 PolarHBondContact O-N 3.06Å; D1304-M1307 PolarHBondContact O-N 3.41Å; M1307-R1309 VanDerWaalsContact C-N 3.27Å; M1307-R1309 PolarHBondContact O-N 2.8Å; M1307-L1323 HydrophobicContact SD-CD2 4.16Å; M1307-L1323 HydrophobicContact SD-CG 4.18Å; M1307-L1327 HydrophobicContact CE-CD2 4.04Å |
| 1308 | N | 64.4 | Low | 56.1 | Low | 119 Ų | 119 | 117.2 Ų | 117.2 | 64% | 0.636 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70.2 | -18.8 | 176.8 | -73.2 | -30.2 | 0 | 0 | 0 | 113.8 | D1304 L1306 | D1304-N1308 WeakPolarHBondContact O-CB 3.41Å; D1304-N1308 PolarHBondContact O-N 2.91Å; D1304-N1308 PolarHBondContact O-ND2 3.29Å; L1306-N1308 VanDerWaalsContact C-N 3.32Å; L1306-N1308 PolarHBondContact O-N 3.09Å |
| 1309 | R | 61.3 | Low | 56.2 | Low | 209 Ų | 209 | 110.3 Ų | 110.3 | 79% | 0.789 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -85.5 | -19.7 | -177.5 | -132.9 | 177.3 | -171.7 | -179.2 | 2.9 | 114.6 | A1305 L1306 M1307 | A1305-R1309 WeakPolarHBondContact O-CB 3.44Å; A1305-R1309 PolarHBondContact O-N 2.71Å; L1306-R1309 PolarHBondContact O-N 2.95Å; M1307-R1309 VanDerWaalsContact C-N 3.27Å; M1307-R1309 PolarHBondContact O-N 2.8Å |
| 1310 | Y | 56.3 | Low | 56.2 | Low | 102 Ų | 102 | 103.8 Ų | 103.8 | 40% | 0.4 | 53% | 0.531 | S | S | . | . | trans | -110.8 | 24 | -176.8 | -65.2 | -73.3 | 0 | 0 | 0 | 113.1 | L1306 I1312 T1319 L1323 | L1306-Y1310 HydrophobicContact CD2-CE2 4.04Å; L1306-Y1310 WeakPolarHBondContact O-CD2 3.48Å; Y1310-I1312 PolarHBondContact O-N 3.36Å; Y1310-I1312 VanDerWaalsContact O-N 3.09Å; Y1310-T1319 HydrophobicContact CD2-CG2 4.42Å; Y1310-T1319 HydrophobicContact CE1-CG2 4.12Å; Y1310-T1319 HydrophobicContact CE2-CG2 4.03Å; Y1310-L1323 HydrophobicContact CD2-CD1 4.36Å | ||
| 1311 | L | 50.1 | Low | 55.7 | Low | 135 Ų | 135 | 104.6 Ų | 104.6 | 71% | 0.707 | 54% | 0.539 | S | S | * | . | trans | -80.5 | 47.2 | 170.3 | -83.1 | 169.1 | 0 | 0 | 0 | 112.7 | ||||
| 1312 | I | 46.2 | Very low | 55.6 | Low | 149 Ų | 149 | 102.2 Ų | 102.2 | 76% | 0.764 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -152.8 | 155.9 | 167.2 | -95.2 | 134.2 | 0 | 0 | 0 | 108.2 | Y1310 | Y1310-I1312 PolarHBondContact O-N 3.36Å; Y1310-I1312 VanDerWaalsContact O-N 3.09Å |
| 1313 | T | 37.3 | Very low | 55.4 | Low | 129 Ų | 129 | 98.2 Ų | 98.2 | 79% | 0.791 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -61.9 | 155.8 | -175.4 | 46.3 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1314 | E | 40.7 | Very low | 55.2 | Low | 190 Ų | 190 | 104 Ų | 104 | 89% | 0.888 | 53% | 0.53 | S | S | * | . | trans | 77 | 105.2 | -175 | -54.7 | -160 | 141 | 0 | 0 | 115.3 | ||||
| 1315 | V | 40.9 | Very low | 55.2 | Low | 75 Ų | 75 | 100.9 Ų | 100.9 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | trans | -128.7 | 124.8 | 177.1 | -177.4 | 0 | 0 | 0 | 0 | 108.5 | T1319 | V1315-T1319 HydrophobicContact CG1-CG2 4.22Š| ||
| 1316 | Q | 43.1 | Very low | 55.5 | Low | 154 Ų | 154 | 98.7 Ų | 98.7 | 72% | 0.72 | 50% | 0.495 | S | S | * | . | trans | -73.9 | 153.7 | 177.1 | -68.4 | 177.8 | -27.2 | 0 | 0 | 111.4 | D1318 T1319 A1320 | Q1316-D1318 VanDerWaalsContact C-N 3.28Å; Q1316-D1318 PolarHBondContact O-N 2.81Å; Q1316-T1319 PolarHBondContact O-N 3.44Å; Q1316-A1320 PolarHBondContact O-N 2.86Å | ||
| 1317 | E | 48.5 | Very low | 55.9 | Low | 132 Ų | 132 | 100.5 Ų | 100.5 | 62% | 0.617 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.3 | -33.8 | -171 | -66.1 | -177.1 | 134.5 | 0 | 0 | 113.4 | Y1288 T1319 A1320 | Y1288-E1317 WeakPolarHBondContact CE1-OE2 3.41Å; Y1288-E1317 PolarHBondContact OH-OE2 3.09Å; E1317-T1319 PolarHBondContact O-N 3.13Å; E1317-A1320 WeakPolarHBondContact O-CB 3.39Å; E1317-A1320 PolarHBondContact O-N 3.06Å |
| 1318 | D | 49.7 | Very low | 56 | Low | 129 Ų | 129 | 104.7 Ų | 104.7 | 69% | 0.69 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.2 | -37.9 | 176.6 | -67.7 | -41.7 | 0 | 0 | 0 | 112.6 | Q1316 A1320 C1321 | Q1316-D1318 VanDerWaalsContact C-N 3.28Å; Q1316-D1318 PolarHBondContact O-N 2.81Å; D1318-A1320 VanDerWaalsContact C-N 3.29Å; D1318-A1320 PolarHBondContact O-N 3.38Å; D1318-C1321 PolarHBondContact O-N 3.49Å |
| 1319 | T | 55.4 | Low | 56.3 | Low | 26 Ų | 26 | 100.1 Ų | 100.1 | 16% | 0.16 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -69.3 | -28.6 | -179.9 | -35.8 | 0 | 0 | 0 | 0 | 111.9 | Y1310 V1315 Q1316 E1317 C1321 F1322 L1323 | Y1310-T1319 HydrophobicContact CD2-CG2 4.42Å; Y1310-T1319 HydrophobicContact CE1-CG2 4.12Å; Y1310-T1319 HydrophobicContact CE2-CG2 4.03Å; V1315-T1319 HydrophobicContact CG1-CG2 4.22Å; Q1316-T1319 PolarHBondContact O-N 3.44Å; E1317-T1319 PolarHBondContact O-N 3.13Å; T1319-C1321 VanDerWaalsContact C-N 3.26Å; T1319-C1321 PolarHBondContact O-N 3.19Å; T1319-F1322 PolarHBondContact O-N 3.39Å; T1319-L1323 HydrophobicContact CG2-CD1 4.14Å; T1319-L1323 PolarHBondContact O-N 3.48Å; T1319-L1323 VanDerWaalsContact O-N 3.07Å |
| 1320 | A | 56.5 | Low | 56.6 | Low | 46 Ų | 46 | 96.9 Ų | 96.9 | 38% | 0.38 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.3 | -35.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q1316 E1317 D1318 L1323 Q1324 | Q1316-A1320 PolarHBondContact O-N 2.86Å; E1317-A1320 WeakPolarHBondContact O-CB 3.39Å; E1317-A1320 PolarHBondContact O-N 3.06Å; D1318-A1320 VanDerWaalsContact C-N 3.29Å; D1318-A1320 PolarHBondContact O-N 3.38Å; A1320-L1323 PolarHBondContact O-N 3.05Å; A1320-Q1324 VanDerWaalsContact O-CB 3.32Å; A1320-Q1324 WeakPolarHBondContact O-CB 3.33Å; A1320-Q1324 PolarHBondContact O-N 2.99Å |
| 1321 | C | 53.2 | Low | 57.1 | Low | 51 Ų | 51 | 102.4 Ų | 102.4 | 35% | 0.345 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 175.5 | -70.5 | 0 | 0 | 0 | 0 | 112.5 | F1294 D1318 T1319 Q1324 C1325 | F1294-C1321 HydrophobicContact CZ-CB 3.87Å; D1318-C1321 PolarHBondContact O-N 3.49Å; T1319-C1321 VanDerWaalsContact C-N 3.26Å; T1319-C1321 PolarHBondContact O-N 3.19Å; C1321-Q1324 PolarHBondContact O-N 3.29Å; C1321-C1325 PolarHBondContact O-N 2.84Å |
| 1322 | F | 63.1 | Low | 58 | Low | 121 Ų | 121 | 102 Ų | 102 | 53% | 0.531 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.9 | -44.4 | 176.5 | -77.4 | -86.6 | 0 | 0 | 0 | 111.9 | I1300 T1319 Q1324 C1325 C1326 | I1300-F1322 HydrophobicContact CD1-CD1 4.14Å; T1319-F1322 PolarHBondContact O-N 3.39Å; F1322-Q1324 VanDerWaalsContact C-N 3.28Å; F1322-Q1324 PolarHBondContact O-N 2.83Å; F1322-C1325 PolarHBondContact O-N 3.13Å; F1322-C1326 PolarHBondContact O-N 3.38Å |
| 1323 | L | 64.6 | Low | 58.9 | Low | 42 Ų | 42 | 102.2 Ų | 102.2 | 22% | 0.22 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -58.3 | -41.4 | 172.1 | -95.5 | 91.6 | 0 | 0 | 0 | 111.5 | M1307 Y1310 T1319 A1320 C1326 L1327 | M1307-L1323 HydrophobicContact SD-CD2 4.16Å; M1307-L1323 HydrophobicContact SD-CG 4.18Å; Y1310-L1323 HydrophobicContact CD2-CD1 4.36Å; T1319-L1323 HydrophobicContact CG2-CD1 4.14Å; T1319-L1323 PolarHBondContact O-N 3.48Å; T1319-L1323 VanDerWaalsContact O-N 3.07Å; A1320-L1323 PolarHBondContact O-N 3.05Å; L1323-C1326 PolarHBondContact O-N 2.68Å; L1323-L1327 WeakPolarHBondContact O-CB 3.48Å; L1323-L1327 VanDerWaalsContact O-CG 3.28Å; L1323-L1327 WeakPolarHBondContact O-CG 3.28Å; L1323-L1327 PolarHBondContact O-N 3.15Å |
| 1324 | Q | 64.3 | Low | 60 | Low | 141 Ų | 141 | 100.9 Ų | 100.9 | 66% | 0.659 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -70.5 | -33.7 | -177.9 | -161.8 | 163.7 | 13.3 | 0 | 0 | 112.6 | A1320 C1321 F1322 Y1328 | A1320-Q1324 VanDerWaalsContact O-CB 3.32Å; A1320-Q1324 WeakPolarHBondContact O-CB 3.33Å; A1320-Q1324 PolarHBondContact O-N 2.99Å; C1321-Q1324 PolarHBondContact O-N 3.29Å; F1322-Q1324 VanDerWaalsContact C-N 3.28Å; F1322-Q1324 PolarHBondContact O-N 2.83Å; Q1324-Y1328 WeakPolarHBondContact O-CB 3.28Å; Q1324-Y1328 PolarHBondContact O-N 3.24Å |
| 1325 | C | 67.5 | Low | 61 | Low | 18 Ų | 18 | 96.2 Ų | 96.2 | 12% | 0.122 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -65.4 | -45.6 | 167.5 | -103.2 | 0 | 0 | 0 | 0 | 112.1 | C1296 I1300 C1321 F1322 Y1328 Q1329 | C1296-C1325 WeakPolarHBondContact CB-SG 3.31Å; C1296-C1325 WeakPolarHBondContact SG-CB 3.12Å; C1296-C1325 CovalentContact SG-SG 2.05Å; C1296-C1325 PolarHBondContact SG-SG 3.42Å; I1300-C1325 HydrophobicContact CD1-CB 3.64Å; C1321-C1325 PolarHBondContact O-N 2.84Å; F1322-C1325 PolarHBondContact O-N 3.13Å; C1325-Y1328 PolarHBondContact O-N 3.13Å; C1325-Q1329 WeakPolarHBondContact O-CG 3.36Å; C1325-Q1329 PolarHBondContact O-N 2.75Å |
| 1326 | C | 74.2 | Confident | 62.1 | Low | 3 Ų | 3 | 97.3 Ų | 97.3 | 2% | 0.02 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 176.1 | -83.8 | 0 | 0 | 0 | 0 | 112.3 | C1303 F1322 L1323 Y1328 Q1329 R1330 | C1303-C1326 HydrophobicContact CB-CB 3.89Å; C1303-C1326 WeakPolarHBondContact CB-SG 3.43Å; C1303-C1326 VanDerWaalsContact SG-CA 3.52Å; C1303-C1326 WeakPolarHBondContact SG-CB 3.34Å; C1303-C1326 CovalentContact SG-SG 2.05Å; C1303-C1326 PolarHBondContact SG-SG 3.26Å; F1322-C1326 PolarHBondContact O-N 3.38Å; L1323-C1326 PolarHBondContact O-N 2.68Å; C1326-Y1328 VanDerWaalsContact C-N 3.27Å; C1326-Y1328 PolarHBondContact O-N 3.29Å; C1326-Q1329 PolarHBondContact O-N 2.76Å; C1326-R1330 WeakPolarHBondContact O-CB 3.38Å; C1326-R1330 PolarHBondContact O-N 3.18Å |
| 1327 | L | 70.1 | Confident | 63.3 | Low | 90 Ų | 90 | 94 Ų | 94 | 47% | 0.471 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.3 | -27 | 176 | -74.4 | 168.6 | 0 | 0 | 0 | 113.3 | M1307 L1323 | M1307-L1327 HydrophobicContact CE-CD2 4.04Å; L1323-L1327 WeakPolarHBondContact O-CB 3.48Å; L1323-L1327 VanDerWaalsContact O-CG 3.28Å; L1323-L1327 WeakPolarHBondContact O-CG 3.28Å; L1323-L1327 PolarHBondContact O-N 3.15Å |
| 1328 | Y | 68.2 | Low | 64.2 | Low | 138 Ų | 138 | 91.6 Ų | 91.6 | 54% | 0.541 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -76.8 | -38.6 | 172 | -175.1 | -111.1 | 0 | 0 | 0 | 111.6 | Q1324 C1325 C1326 R1331 L1332 | Q1324-Y1328 WeakPolarHBondContact O-CB 3.28Å; Q1324-Y1328 PolarHBondContact O-N 3.24Å; C1325-Y1328 PolarHBondContact O-N 3.13Å; C1326-Y1328 VanDerWaalsContact C-N 3.27Å; C1326-Y1328 PolarHBondContact O-N 3.29Å; Y1328-R1331 PolarHBondContact O-N 3.41Å; Y1328-L1332 HydrophobicContact CD1-CD1 3.95Å; Y1328-L1332 HydrophobicContact CE1-CD1 3.53Å; Y1328-L1332 PolarHBondContact O-N 3.19Å |
| 1329 | Q | 70.1 | Confident | 65.1 | Low | 23 Ų | 23 | 89.1 Ų | 89.1 | 11% | 0.107 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65.5 | -44.2 | 174.2 | -70.5 | 173.4 | 15.2 | 0 | 0 | 111 | C1296 K1298 C1325 C1326 R1331 L1332 E1333 | C1296-Q1329 PolarHBondContact SG-NE2 2.81Å; C1296-Q1329 VanDerWaalsContact SG-NE2 3.41Å; K1298-Q1329 PolarHBondContact O-NE2 3.34Å; K1298-Q1329 VanDerWaalsContact O-NE2 3.09Å; C1325-Q1329 WeakPolarHBondContact O-CG 3.36Å; C1325-Q1329 PolarHBondContact O-N 2.75Å; C1326-Q1329 PolarHBondContact O-N 2.76Å; Q1329-R1331 PolarHBondContact O-N 2.89Å; Q1329-L1332 PolarHBondContact O-N 2.76Å; Q1329-E1333 PolarHBondContact O-N 3.17Å |
| 1330 | R | 68.2 | Low | 65.8 | Low | 140 Ų | 140 | 93.6 Ų | 93.6 | 53% | 0.528 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 13.4 | 170.1 | -112.5 | -175.1 | -176.2 | -139.9 | 7.5 | 115.5 | D1304 C1326 | D1304-R1330 IonicContact OD1-CZ 3.68Å; D1304-R1330 IonicContact OD1-NE 2.75Å; D1304-R1330 PolarHBondContact OD1-NE 3.15Å; D1304-R1330 IonicContact OD1-NH2 3.83Å; D1304-R1330 PolarHBondContact OD1-NH2 2.95Å; C1326-R1330 WeakPolarHBondContact O-CB 3.38Å; C1326-R1330 PolarHBondContact O-N 3.18Å |
| 1331 | R | 67.8 | Low | 66.5 | Low | 218 Ų | 218 | 97.3 Ų | 97.3 | 82% | 0.823 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.5 | -0.3 | 169.9 | -90.4 | -172.6 | 170.6 | -166.8 | -1.5 | 112.7 | Y1328 Q1329 | Y1328-R1331 PolarHBondContact O-N 3.41Å; Q1329-R1331 PolarHBondContact O-N 2.89Å |
| 1332 | L | 68 | Low | 67.7 | Low | 126 Ų | 126 | 101.2 Ų | 101.2 | 66% | 0.66 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.2 | -31 | 174.1 | -70.2 | 173.1 | 0 | 0 | 0 | 110.7 | Y1328 Q1329 | Y1328-L1332 HydrophobicContact CD1-CD1 3.95Å; Y1328-L1332 HydrophobicContact CE1-CD1 3.53Å; Y1328-L1332 PolarHBondContact O-N 3.19Å; Q1329-L1332 PolarHBondContact O-N 2.76Å |
| 1333 | E | 65.8 | Low | 68.1 | Low | 154 Ų | 154 | 99.4 Ų | 99.4 | 72% | 0.72 | 44% | 0.443 | S | S | * | . | trans | -77.9 | 0 | 153.5 | -59.3 | 175.6 | 173.1 | 0 | 0 | 110.4 | R1299 Q1329 | R1299-E1333 IonicContact CZ-OE1 2.67Å; R1299-E1333 VanDerWaalsContact CZ-OE1 3.3Å; R1299-E1333 IonicContact NE-OE1 2.78Å; R1299-E1333 PolarHBondContact NE-OE1 3.07Å; R1299-E1333 VanDerWaalsContact NE-OE1 3.1Å; R1299-E1333 IonicContact NH2-OE1 3.81Å; R1299-E1333 PolarHBondContact NH2-OE1 2.9Å; Q1329-E1333 PolarHBondContact O-N 3.17Å |
Retrieved 1,333 of 1,333 residues in 1329.2 ms
(Link to these results)