| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 25.3 | Very low | 38.1 | Very low | 226 Ų | 226 | 102.6 Ų | 102.6 | 100% | 1.113 | 52% | 0.517 | S | S | * | . | 0 | 54.5 | 0 | -47.8 | 166 | -170.7 | 0 | 0 | 108.5 | |||||
| 2 | L | 32 | Very low | 38.6 | Very low | 150 Ų | 150 | 103.9 Ų | 103.9 | 79% | 0.785 | 52% | 0.517 | S | S | * | . | cis | 64 | 134.3 | 38.2 | -61 | 165.9 | 0 | 0 | 0 | 114 | ||||
| 3 | Y | 32.2 | Very low | 39.1 | Very low | 224 Ų | 224 | 104.8 Ų | 104.8 | 88% | 0.878 | 52% | 0.516 | S | S | * | . | trans | 104.1 | -1.6 | 164.2 | -62.6 | -67.6 | 0 | 0 | 0 | 122.3 | ||||
| 4 | D | 32.4 | Very low | 39.4 | Very low | 54 Ų | 54 | 105.9 Ų | 105.9 | 29% | 0.289 | 52% | 0.517 | S | S | . | . | trans | -148.3 | 120 | 168.6 | -174.8 | -6.4 | 0 | 0 | 0 | 113.6 | I6 V7 L8 | D4-I6 VanDerWaalsContact C-N 3.3Å; D4-I6 PolarHBondContact O-N 2.7Å; D4-I6 PolarHBondContact OD1-N 2.73Å; D4-V7 HydrophobicContact CB-CB 3.99Å; D4-V7 HydrophobicContact CB-CG2 3.8Å; D4-V7 PolarHBondContact O-N 2.94Å; D4-V7 WeakPolarHBondContact OD2-CG2 3.37Å; D4-L8 PolarHBondContact O-N 2.8Å | ||
| 5 | P | 38.7 | Very low | 39.1 | Very low | 72 Ų | 72 | 110.4 Ų | 110.4 | 47% | 0.468 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60 | -30.4 | 173 | -23.7 | 34.6 | 0 | 0 | 0 | 114.9 | L8 F9 A99 | P5-L8 WeakPolarHBondContact O-CB 3.48Å; P5-L8 PolarHBondContact O-N 3.46Å; P5-F9 PolarHBondContact O-N 3.12Å; P5-F9 VanDerWaalsContact O-N 3.12Å; P5-A99 HydrophobicContact CB-CB 4.03Å; P5-A99 HydrophobicContact CG-CB 3.99Å |
| 6 | I | 40.8 | Very low | 38.9 | Very low | 75 Ų | 75 | 107.4 Ų | 107.4 | 39% | 0.385 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -77.9 | -35.5 | -179.6 | -46.7 | 177.5 | 0 | 0 | 0 | 110.4 | D4 L8 F9 V10 Y43 | D4-I6 VanDerWaalsContact C-N 3.3Å; D4-I6 PolarHBondContact O-N 2.7Å; D4-I6 PolarHBondContact OD1-N 2.73Å; I6-L8 PolarHBondContact O-N 3.46Å; I6-F9 WeakPolarHBondContact O-CA 3.49Å; I6-F9 VanDerWaalsContact O-CB 3.29Å; I6-F9 WeakPolarHBondContact O-CB 3.18Å; I6-F9 PolarHBondContact O-N 2.9Å; I6-V10 WeakPolarHBondContact O-CG2 3.42Å; I6-V10 PolarHBondContact O-N 3.17Å; I6-Y43 HydrophobicContact CB-CE1 4.08Å; I6-Y43 HydrophobicContact CG2-CE1 3.64Å |
| 7 | V | 41.1 | Very low | 38.7 | Very low | 28 Ų | 28 | 108.2 Ų | 108.2 | 17% | 0.17 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -60.5 | -35.6 | 167.1 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | D4 F9 V10 V11 Q44 | D4-V7 HydrophobicContact CB-CB 3.99Å; D4-V7 HydrophobicContact CB-CG2 3.8Å; D4-V7 PolarHBondContact O-N 2.94Å; D4-V7 WeakPolarHBondContact OD2-CG2 3.37Å; V7-F9 VanDerWaalsContact C-N 3.33Å; V7-F9 PolarHBondContact O-N 3.26Å; V7-V10 PolarHBondContact O-N 3.14Å; V7-V11 HydrophobicContact CG1-CG2 4.11Å; V7-V11 VanDerWaalsContact O-CB 3.26Å; V7-V11 WeakPolarHBondContact O-CB 3.1Å; V7-V11 WeakPolarHBondContact O-CG2 3.13Å; V7-V11 PolarHBondContact O-N 3.19Å; V7-Q44 HydrophobicContact CG2-CG 4.07Å |
| 8 | L | 41.5 | Very low | 38.4 | Very low | 128 Ų | 128 | 109.1 Ų | 109.1 | 67% | 0.67 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -59.8 | -43.7 | 171.4 | -143 | 88 | 0 | 0 | 0 | 111.5 | D4 P5 I6 F12 | D4-L8 PolarHBondContact O-N 2.8Å; P5-L8 WeakPolarHBondContact O-CB 3.48Å; P5-L8 PolarHBondContact O-N 3.46Å; I6-L8 PolarHBondContact O-N 3.46Å; L8-F12 WeakPolarHBondContact O-CB 3.33Å; L8-F12 PolarHBondContact O-N 3.37Å |
| 9 | F | 47.6 | Very low | 38.3 | Very low | 66 Ų | 66 | 110 Ų | 110 | 29% | 0.289 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.4 | -49.3 | 177.6 | -163.1 | -83 | 0 | 0 | 0 | 112.3 | P5 I6 V7 F12 F13 I70 L80 | P5-F9 PolarHBondContact O-N 3.12Å; P5-F9 VanDerWaalsContact O-N 3.12Å; I6-F9 WeakPolarHBondContact O-CA 3.49Å; I6-F9 VanDerWaalsContact O-CB 3.29Å; I6-F9 WeakPolarHBondContact O-CB 3.18Å; I6-F9 PolarHBondContact O-N 2.9Å; V7-F9 VanDerWaalsContact C-N 3.33Å; V7-F9 PolarHBondContact O-N 3.26Å; F9-F12 PolarHBondContact O-N 3.41Å; F9-F13 HydrophobicContact CE1-CD2 4.42Å; F9-F13 PolarHBondContact O-N 3.25Å; F9-I70 HydrophobicContact CE1-CD1 3.92Å; F9-I70 HydrophobicContact CE1-CG2 4.4Å; F9-I70 HydrophobicContact CZ-CG2 4.05Å; F9-L80 HydrophobicContact CE2-CD2 3.73Å; F9-L80 HydrophobicContact CZ-CD2 4.15Å |
| 10 | V | 45.3 | Very low | 38.1 | Very low | 40 Ų | 40 | 109.3 Ų | 109.3 | 24% | 0.242 | 55% | 0.55 | C | S | . | * | H | α-helix | trans | -62.9 | -42.6 | 178 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | I6 V7 F13 F14 | I6-V10 WeakPolarHBondContact O-CG2 3.42Å; I6-V10 PolarHBondContact O-N 3.17Å; V7-V10 PolarHBondContact O-N 3.14Å; V10-F13 PolarHBondContact O-N 3.37Å; V10-F14 HydrophobicContact CG1-CD2 4.17Å; V10-F14 PolarHBondContact O-N 3.45Å |
| 11 | V | 42.5 | Very low | 38 | Very low | 66 Ų | 66 | 110.7 Ų | 110.7 | 40% | 0.4 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.1 | -36.8 | 176.7 | 170.3 | 0 | 0 | 0 | 0 | 111.7 | V7 K15 | V7-V11 HydrophobicContact CG1-CG2 4.11Å; V7-V11 VanDerWaalsContact O-CB 3.26Å; V7-V11 WeakPolarHBondContact O-CB 3.1Å; V7-V11 WeakPolarHBondContact O-CG2 3.13Å; V7-V11 PolarHBondContact O-N 3.19Å; V11-K15 HydrophobicContact CG1-CD 4.36Å; V11-K15 WeakPolarHBondContact O-CB 3.14Å; V11-K15 PolarHBondContact O-N 3.21Å; V11-K15 VanDerWaalsContact O-N 3.14Å |
| 12 | F | 43.5 | Very low | 38.9 | Very low | 118 Ų | 118 | 100.8 Ų | 100.8 | 52% | 0.518 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 175.1 | -140.2 | -90.8 | 0 | 0 | 0 | 111 | L8 F9 C16 | L8-F12 WeakPolarHBondContact O-CB 3.33Å; L8-F12 PolarHBondContact O-N 3.37Å; F9-F12 PolarHBondContact O-N 3.41Å; F12-C16 PolarHBondContact O-SG 3.33Å |
| 13 | F | 45.3 | Very low | 39.4 | Very low | 115 Ų | 115 | 97.3 Ų | 97.3 | 50% | 0.504 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.8 | -45.4 | -179.8 | -140.9 | -87.8 | 0 | 0 | 0 | 112.4 | F9 V10 L76 | F9-F13 HydrophobicContact CE1-CD2 4.42Å; F9-F13 PolarHBondContact O-N 3.25Å; V10-F13 PolarHBondContact O-N 3.37Å; F13-L76 HydrophobicContact CE2-CD1 3.98Å; F13-L76 HydrophobicContact CE2-CD2 4.23Å; F13-L76 HydrophobicContact CZ-CD1 4.05Å |
| 14 | F | 43 | Very low | 39.7 | Very low | 121 Ų | 121 | 90.7 Ų | 90.7 | 53% | 0.531 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -80.2 | -13.7 | -178.2 | -89.9 | -76.3 | 0 | 0 | 0 | 115.4 | V10 M36 | V10-F14 HydrophobicContact CG1-CD2 4.17Å; V10-F14 PolarHBondContact O-N 3.45Å; F14-M36 HydrophobicContact CD1-CE 4.33Å; F14-M36 HydrophobicContact CD1-SD 3.69Å; F14-M36 HydrophobicContact CD2-SD 4.48Å; F14-M36 HydrophobicContact CE1-CE 3.57Å; F14-M36 HydrophobicContact CE1-SD 3.55Å; F14-M36 VanDerWaalsContact CE1-SD 3.55Å; F14-M36 HydrophobicContact CE2-CE 4.49Å; F14-M36 HydrophobicContact CE2-SD 4.36Å; F14-M36 HydrophobicContact CG-SD 4.17Å; F14-M36 HydrophobicContact CZ-CE 3.67Å; F14-M36 HydrophobicContact CZ-SD 3.91Å |
| 15 | K | 35.4 | Very low | 39.9 | Very low | 173 Ų | 173 | 94.7 Ų | 94.7 | 75% | 0.752 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -98.6 | -7.3 | -177.4 | -156.1 | 169.3 | -172.6 | 178.2 | 0 | 113.9 | V11 | V11-K15 HydrophobicContact CG1-CD 4.36Å; V11-K15 WeakPolarHBondContact O-CB 3.14Å; V11-K15 PolarHBondContact O-N 3.21Å; V11-K15 VanDerWaalsContact O-N 3.14Å |
| 16 | C | 35.4 | Very low | 39.8 | Very low | 63 Ų | 63 | 96.6 Ų | 96.6 | 43% | 0.426 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -90.2 | -11.4 | -178 | -76.7 | 0 | 0 | 0 | 0 | 115.9 | F12 | F12-C16 PolarHBondContact O-SG 3.33Š|
| 17 | H | 35.8 | Very low | 39.3 | Very low | 121 Ų | 121 | 99.7 Ų | 99.7 | 56% | 0.56 | 48% | 0.483 | S | S | * | . | trans | -128.3 | 126 | 170.9 | -91 | -76.9 | 0 | 0 | 0 | 112.5 | L19 | H17-L19 PolarHBondContact O-N 3.36Š| ||
| 18 | S | 34.4 | Very low | 39.4 | Very low | 124 Ų | 124 | 104.1 Ų | 104.1 | 87% | 0.867 | 50% | 0.497 | S | S | * | . | trans | -91.8 | 20.3 | -169.9 | 48.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 19 | L | 34.8 | Very low | 39.5 | Very low | 126 Ų | 126 | 101.8 Ų | 101.8 | 66% | 0.66 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -131.3 | 136 | 171.3 | -71.7 | 174.7 | 0 | 0 | 0 | 110 | H17 | H17-L19 PolarHBondContact O-N 3.36Š|
| 20 | L | 35.5 | Very low | 39.3 | Very low | 96 Ų | 96 | 102.4 Ų | 102.4 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | trans | -88.9 | 141.1 | -168.9 | -70 | 157.4 | 0 | 0 | 0 | 111.5 | P30 | L20-P30 HydrophobicContact CB-CB 3.69Å; L20-P30 HydrophobicContact CB-CG 4.15Å; L20-P30 WeakPolarHBondContact O-CA 3.49Å; L20-P30 WeakPolarHBondContact O-CD 3.08Å; L20-P30 VanDerWaalsContact O-CG 3.29Å; L20-P30 WeakPolarHBondContact O-CG 3.29Å | ||
| 21 | W | 36.5 | Very low | 39.4 | Very low | 138 Ų | 138 | 102.9 Ų | 102.9 | 52% | 0.523 | 49% | 0.493 | S | S | . | . | trans | -155.3 | 125.8 | -162.5 | -75.3 | 138.6 | 0 | 0 | 0 | 112.2 | W28 I29 | W21-W28 HydrophobicContact CB-CB 3.61Å; W21-W28 HydrophobicContact CB-CD2 4.06Å; W21-W28 HydrophobicContact CB-CE3 3.79Å; W21-W28 HydrophobicContact CB-CG 4.05Å; W21-W28 HydrophobicContact CD2-CB 3.57Å; W21-W28 HydrophobicContact CE3-CB 3.43Å; W21-W28 VanDerWaalsContact CE3-CB 3.43Å; W21-W28 HydrophobicContact CG-CB 3.71Å; W21-W28 HydrophobicContact CG-CG 4.34Å; W21-W28 HydrophobicContact CZ3-CB 4.21Å; W21-W28 WeakPolarHBondContact CZ3-O 3.48Å; W21-I29 CarbonylContact C-O 3.5Å; W21-I29 VanDerWaalsContact C-O 3.32Å | ||
| 22 | Q | 42.4 | Very low | 40.3 | Very low | 19 Ų | 19 | 105.9 Ų | 105.9 | 9% | 0.089 | 50% | 0.502 | C | S | . | . | trans | -117.8 | 127.3 | 172.2 | -72.1 | -178.3 | -51.3 | 0 | 0 | 108.8 | F24 W28 I29 Y31 | Q22-F24 PolarHBondContact O-N 3.23Å; Q22-W28 VanDerWaalsContact C-CE3 3.49Å; Q22-W28 CarbonylContact O-C 3.59Å; Q22-W28 VanDerWaalsContact O-C 3.3Å; Q22-W28 WeakPolarHBondContact O-CA 3.48Å; Q22-I29 WeakPolarHBondContact CA-O 3.39Å; Q22-I29 HydrophobicContact CB-CB 4.38Å; Q22-I29 WeakPolarHBondContact CB-O 3.44Å; Q22-I29 WeakPolarHBondContact CG-O 3.5Å; Q22-I29 VanDerWaalsContact N-N 3.14Å; Q22-I29 PolarHBondContact N-O 3.17Å; Q22-I29 PolarHBondContact O-N 3.36Å; Q22-Y31 HydrophobicContact CB-CD2 4.45Å; Q22-Y31 HydrophobicContact CB-CE2 4.29Å; Q22-Y31 HydrophobicContact CG-CD1 3.7Å; Q22-Y31 HydrophobicContact CG-CD2 3.52Å; Q22-Y31 HydrophobicContact CG-CE1 3.71Å; Q22-Y31 HydrophobicContact CG-CE2 3.55Å; Q22-Y31 HydrophobicContact CG-CG 3.6Å | ||
| 23 | Y | 43.1 | Very low | 40.8 | Very low | 77 Ų | 77 | 106.5 Ų | 106.5 | 30% | 0.302 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 127.3 | 175.1 | -153.9 | -107 | 0 | 0 | 0 | 111.6 | R26 K27 W28 I526 | Y23-R26 WeakPolarHBondContact OH-CA 3.39Å; Y23-K27 CarbonylContact C-O 3.3Å; Y23-K27 WeakPolarHBondContact CA-O 3.2Å; Y23-W28 AromaticContact CD2-CD2 3.89Å; Y23-W28 HydrophobicContact CD2-CD2 3.89Å; Y23-W28 AromaticContact CD2-CE2 3.61Å; Y23-W28 HydrophobicContact CD2-CE3 4.45Å; Y23-W28 HydrophobicContact CD2-CG 4.25Å; Y23-W28 AromaticContact CD2-CZ2 3.97Å; Y23-W28 HydrophobicContact CD2-CZ2 3.97Å; Y23-W28 AromaticContact CD2-NE1 3.74Å; Y23-W28 VanDerWaalsContact N-CE3 3.3Å; Y23-I526 HydrophobicContact CE1-CB 4.36Å; Y23-I526 HydrophobicContact CE1-CD1 3.86Å; Y23-I526 HydrophobicContact CE1-CG1 3.88Å; Y23-I526 HydrophobicContact CE1-CG2 3.62Å |
| 24 | F | 37.9 | Very low | 41.3 | Very low | 85 Ų | 85 | 109.7 Ų | 109.7 | 37% | 0.373 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 120.3 | -170.2 | -130.2 | -76.7 | 0 | 0 | 0 | 109 | Q22 R26 K27 I29 | Q22-F24 PolarHBondContact O-N 3.23Å; F24-R26 VanDerWaalsContact C-N 3.28Å; F24-R26 PolarHBondContact O-N 3.06Å; F24-K27 CarbonylContact C-O 3.54Å; F24-K27 PolarHBondContact N-O 3Å; F24-K27 CarbonylContact O-C 3.56Å; F24-K27 PolarHBondContact O-N 2.97Å; F24-I29 HydrophobicContact CB-CD1 3.69Å; F24-I29 HydrophobicContact CB-CG1 4.19Å; F24-I29 HydrophobicContact CG-CD1 4.04Å |
| 25 | D | 36.6 | Very low | 42.2 | Very low | 138 Ų | 138 | 104.9 Ų | 104.9 | 74% | 0.738 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 47.8 | 178.6 | -168.9 | 36.8 | 0 | 0 | 0 | 113 | K27 | D25-K27 PolarHBondContact O-N 2.63Å; D25-K27 VanDerWaalsContact O-N 3.12Å |
| 26 | R | 37.9 | Very low | 43.1 | Very low | 112 Ų | 112 | 98.4 Ų | 98.4 | 42% | 0.423 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 19.9 | -171.6 | -53.3 | -163.6 | -168.4 | 178.3 | 11.4 | 116.9 | Y23 F24 D525 I526 | Y23-R26 WeakPolarHBondContact OH-CA 3.39Å; F24-R26 VanDerWaalsContact C-N 3.28Å; F24-R26 PolarHBondContact O-N 3.06Å; R26-D525 IonicContact CZ-OD2 2.67Å; R26-D525 PolarHBondContact NH1-O 2.79Å; R26-D525 IonicContact NH1-OD2 2.63Å; R26-D525 PolarHBondContact NH1-OD2 3.29Å; R26-D525 IonicContact NH2-OD2 2.77Å; R26-D525 PolarHBondContact NH2-OD2 2.97Å; R26-I526 HydrophobicContact CG-CG1 4.25Å |
| 27 | K | 30.2 | Very low | 44.4 | Very low | 140 Ų | 140 | 103.6 Ų | 103.6 | 61% | 0.609 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 164.2 | 178.1 | -67.7 | 165.9 | -172.1 | 148.5 | 0 | 111.1 | Y23 F24 D25 | Y23-K27 CarbonylContact C-O 3.3Å; Y23-K27 WeakPolarHBondContact CA-O 3.2Å; F24-K27 CarbonylContact C-O 3.54Å; F24-K27 PolarHBondContact N-O 3Å; F24-K27 CarbonylContact O-C 3.56Å; F24-K27 PolarHBondContact O-N 2.97Å; D25-K27 PolarHBondContact O-N 2.63Å; D25-K27 VanDerWaalsContact O-N 3.12Å |
| 28 | W | 41.9 | Very low | 46 | Very low | 121 Ų | 121 | 101 Ų | 101 | 46% | 0.458 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 147.6 | 178.4 | -67.6 | 96.4 | 0 | 0 | 0 | 112.8 | W21 Q22 Y23 L530 | W21-W28 HydrophobicContact CB-CB 3.61Å; W21-W28 HydrophobicContact CB-CD2 4.06Å; W21-W28 HydrophobicContact CB-CE3 3.79Å; W21-W28 HydrophobicContact CB-CG 4.05Å; W21-W28 HydrophobicContact CD2-CB 3.57Å; W21-W28 HydrophobicContact CE3-CB 3.43Å; W21-W28 VanDerWaalsContact CE3-CB 3.43Å; W21-W28 HydrophobicContact CG-CB 3.71Å; W21-W28 HydrophobicContact CG-CG 4.34Å; W21-W28 HydrophobicContact CZ3-CB 4.21Å; W21-W28 WeakPolarHBondContact CZ3-O 3.48Å; Q22-W28 VanDerWaalsContact C-CE3 3.49Å; Q22-W28 CarbonylContact O-C 3.59Å; Q22-W28 VanDerWaalsContact O-C 3.3Å; Q22-W28 WeakPolarHBondContact O-CA 3.48Å; Y23-W28 AromaticContact CD2-CD2 3.89Å; Y23-W28 HydrophobicContact CD2-CD2 3.89Å; Y23-W28 AromaticContact CD2-CE2 3.61Å; Y23-W28 HydrophobicContact CD2-CE3 4.45Å; Y23-W28 HydrophobicContact CD2-CG 4.25Å; Y23-W28 AromaticContact CD2-CZ2 3.97Å; Y23-W28 HydrophobicContact CD2-CZ2 3.97Å; Y23-W28 AromaticContact CD2-NE1 3.74Å; Y23-W28 VanDerWaalsContact N-CE3 3.3Å; W28-L530 HydrophobicContact CZ2-CD1 4.16Å |
| 29 | I | 45.1 | Very low | 47.4 | Very low | 78 Ų | 78 | 96.1 Ų | 96.1 | 40% | 0.4 | 44% | 0.437 | S | S | . | . | trans | -145.6 | 133.7 | -179.5 | -48.6 | 179.2 | 0 | 0 | 0 | 114.2 | W21 Q22 F24 | W21-I29 CarbonylContact C-O 3.5Å; W21-I29 VanDerWaalsContact C-O 3.32Å; Q22-I29 WeakPolarHBondContact CA-O 3.39Å; Q22-I29 HydrophobicContact CB-CB 4.38Å; Q22-I29 WeakPolarHBondContact CB-O 3.44Å; Q22-I29 WeakPolarHBondContact CG-O 3.5Å; Q22-I29 VanDerWaalsContact N-N 3.14Å; Q22-I29 PolarHBondContact N-O 3.17Å; Q22-I29 PolarHBondContact O-N 3.36Å; F24-I29 HydrophobicContact CB-CD1 3.69Å; F24-I29 HydrophobicContact CB-CG1 4.19Å; F24-I29 HydrophobicContact CG-CD1 4.04Å | ||
| 30 | P | 42.4 | Very low | 48.5 | Very low | 80 Ų | 80 | 92.1 Ų | 92.1 | 52% | 0.519 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -46.7 | 129.9 | -174.5 | -33.3 | 34.9 | 0 | 0 | 0 | 121.4 | L20 | L20-P30 HydrophobicContact CB-CB 3.69Å; L20-P30 HydrophobicContact CB-CG 4.15Å; L20-P30 WeakPolarHBondContact O-CA 3.49Å; L20-P30 WeakPolarHBondContact O-CD 3.08Å; L20-P30 VanDerWaalsContact O-CG 3.29Å; L20-P30 WeakPolarHBondContact O-CG 3.29Å |
| 31 | Y | 48.3 | Very low | 50.1 | Low | 49 Ų | 49 | 91.7 Ų | 91.7 | 19% | 0.192 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -83.9 | 159.8 | 161.1 | -89.1 | -60.8 | 0 | 0 | 0 | 112.5 | Q22 T35 M36 I54 | Q22-Y31 HydrophobicContact CB-CD2 4.45Å; Q22-Y31 HydrophobicContact CB-CE2 4.29Å; Q22-Y31 HydrophobicContact CG-CD1 3.7Å; Q22-Y31 HydrophobicContact CG-CD2 3.52Å; Q22-Y31 HydrophobicContact CG-CE1 3.71Å; Q22-Y31 HydrophobicContact CG-CE2 3.55Å; Q22-Y31 HydrophobicContact CG-CG 3.6Å; Y31-T35 HydrophobicContact CD1-CG2 3.96Å; Y31-T35 HydrophobicContact CE1-CG2 4.15Å; Y31-M36 HydrophobicContact CD2-CE 4.12Å; Y31-M36 HydrophobicContact CG-CE 4.41Å; Y31-I54 HydrophobicContact CD1-CD1 4.12Å; Y31-I54 HydrophobicContact CE1-CD1 3.61Å |
| 32 | H | 59.9 | Low | 51.6 | Low | 130 Ų | 130 | 85.2 Ų | 85.2 | 60% | 0.602 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -97.2 | 147.9 | 177.1 | -174.4 | -115.1 | 0 | 0 | 0 | 113 | W34 T35 M36 | H32-W34 WeakPolarHBondContact ND1-CB 3.32Å; H32-W34 PolarHBondContact ND1-N 3.31Å; H32-W34 PolarHBondContact O-N 2.81Å; H32-T35 WeakPolarHBondContact O-CA 2.99Å; H32-T35 WeakPolarHBondContact O-CB 3.32Å; H32-T35 PolarHBondContact O-N 3.38Å; H32-T35 PolarHBondContact O-OG1 3.19Å; H32-M36 PolarHBondContact O-N 2.74Å |
| 33 | L | 54.3 | Low | 52.2 | Low | 131 Ų | 131 | 87.5 Ų | 87.5 | 69% | 0.686 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -58.6 | -32.6 | -176.3 | -171.8 | 70 | 0 | 0 | 0 | 113.7 | T35 M36 R37 | L33-T35 VanDerWaalsContact C-N 3.33Å; L33-M36 PolarHBondContact O-N 3Å; L33-R37 PolarHBondContact O-N 2.86Å |
| 34 | W | 57.5 | Low | 52.9 | Low | 182 Ų | 182 | 89.1 Ų | 89.1 | 69% | 0.689 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -69 | -32.9 | 177.1 | -145.4 | 82.8 | 0 | 0 | 0 | 112 | H32 R37 L38 | H32-W34 WeakPolarHBondContact ND1-CB 3.32Å; H32-W34 PolarHBondContact ND1-N 3.31Å; H32-W34 PolarHBondContact O-N 2.81Å; W34-R37 PolarHBondContact O-N 2.9Å; W34-L38 HydrophobicContact CE3-CD1 4.07Å; W34-L38 HydrophobicContact CZ3-CD1 3.78Å; W34-L38 PolarHBondContact O-N 3.29Å |
| 35 | T | 61.5 | Low | 54.4 | Low | 19 Ų | 19 | 90.8 Ų | 90.8 | 12% | 0.117 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -66.9 | -41.2 | 174.5 | -46.7 | 0 | 0 | 0 | 0 | 111.3 | Y31 H32 L33 R37 L38 I39 L52 I54 | Y31-T35 HydrophobicContact CD1-CG2 3.96Å; Y31-T35 HydrophobicContact CE1-CG2 4.15Å; H32-T35 WeakPolarHBondContact O-CA 2.99Å; H32-T35 WeakPolarHBondContact O-CB 3.32Å; H32-T35 PolarHBondContact O-N 3.38Å; H32-T35 PolarHBondContact O-OG1 3.19Å; L33-T35 VanDerWaalsContact C-N 3.33Å; T35-R37 VanDerWaalsContact C-N 3.35Å; T35-R37 PolarHBondContact O-N 3.36Å; T35-L38 WeakPolarHBondContact O-CB 3.42Å; T35-L38 PolarHBondContact O-N 3.24Å; T35-I39 HydrophobicContact CG2-CD1 4.2Å; T35-I39 WeakPolarHBondContact O-CG1 3.5Å; T35-I39 PolarHBondContact O-N 2.98Å; T35-I39 VanDerWaalsContact O-N 3.07Å; T35-L52 HydrophobicContact CG2-CD1 3.67Å; T35-L52 HydrophobicContact CG2-CD2 4.1Å; T35-L52 HydrophobicContact CG2-CG 4.45Å; T35-I54 HydrophobicContact CG2-CD1 3.79Å |
| 36 | M | 52.8 | Low | 55.4 | Low | 38 Ų | 38 | 87.2 Ų | 87.2 | 19% | 0.187 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.1 | -40.7 | 176.3 | -77.7 | -76.2 | 118.3 | 0 | 0 | 112.7 | F14 Y31 H32 L33 I39 N40 | F14-M36 HydrophobicContact CD1-CE 4.33Å; F14-M36 HydrophobicContact CD1-SD 3.69Å; F14-M36 HydrophobicContact CD2-SD 4.48Å; F14-M36 HydrophobicContact CE1-CE 3.57Å; F14-M36 HydrophobicContact CE1-SD 3.55Å; F14-M36 VanDerWaalsContact CE1-SD 3.55Å; F14-M36 HydrophobicContact CE2-CE 4.49Å; F14-M36 HydrophobicContact CE2-SD 4.36Å; F14-M36 HydrophobicContact CG-SD 4.17Å; F14-M36 HydrophobicContact CZ-CE 3.67Å; F14-M36 HydrophobicContact CZ-SD 3.91Å; Y31-M36 HydrophobicContact CD2-CE 4.12Å; Y31-M36 HydrophobicContact CG-CE 4.41Å; H32-M36 PolarHBondContact O-N 2.74Å; L33-M36 PolarHBondContact O-N 3Å; M36-I39 HydrophobicContact CE-CD1 3.81Å; M36-I39 PolarHBondContact O-N 3.43Å; M36-N40 WeakPolarHBondContact O-CB 3.41Å; M36-N40 PolarHBondContact O-N 3.01Å |
| 37 | R | 64.4 | Low | 57 | Low | 172 Ų | 172 | 86 Ų | 86 | 65% | 0.649 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -62.2 | -44.5 | 173.9 | -76.4 | -173.1 | 174 | 179.2 | -2.9 | 112 | L33 W34 T35 I39 N40 N41 | L33-R37 PolarHBondContact O-N 2.86Å; W34-R37 PolarHBondContact O-N 2.9Å; T35-R37 VanDerWaalsContact C-N 3.35Å; T35-R37 PolarHBondContact O-N 3.36Å; R37-I39 VanDerWaalsContact C-N 3.31Å; R37-I39 PolarHBondContact O-N 3.44Å; R37-N40 PolarHBondContact O-N 3.45Å; R37-N40 VanDerWaalsContact O-N 3.15Å; R37-N41 WeakPolarHBondContact O-CB 3.35Å; R37-N41 PolarHBondContact O-N 3.5Å; R37-N41 PolarHBondContact O-OD1 3.36Å |
| 38 | L | 68.2 | Low | 58.8 | Low | 67 Ų | 67 | 83.2 Ų | 83.2 | 35% | 0.351 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.8 | -40.7 | -179.7 | -128.5 | 153.7 | 0 | 0 | 0 | 111.7 | W34 T35 A42 L50 L52 | W34-L38 HydrophobicContact CE3-CD1 4.07Å; W34-L38 HydrophobicContact CZ3-CD1 3.78Å; W34-L38 PolarHBondContact O-N 3.29Å; T35-L38 WeakPolarHBondContact O-CB 3.42Å; T35-L38 PolarHBondContact O-N 3.24Å; L38-A42 WeakPolarHBondContact O-CB 3.46Å; L38-A42 PolarHBondContact O-N 2.61Å; L38-A42 VanDerWaalsContact O-N 3.07Å; L38-L50 HydrophobicContact CB-CD2 4.4Å; L38-L50 HydrophobicContact CD2-CD1 3.75Å; L38-L50 HydrophobicContact CD2-CD2 3.99Å; L38-L50 HydrophobicContact CD2-CG 4.47Å; L38-L50 WeakPolarHBondContact O-CD2 3.36Å; L38-L52 HydrophobicContact CB-CD2 4.08Å; L38-L52 HydrophobicContact CD1-CD2 4.24Å; L38-L52 HydrophobicContact CD2-CD2 4.13Å; L38-L52 HydrophobicContact CG-CD2 4.39Å |
| 39 | I | 63.5 | Low | 60 | Low | 21 Ų | 21 | 79.5 Ų | 79.5 | 11% | 0.108 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 173.2 | -65.1 | 161.8 | 0 | 0 | 0 | 111.8 | T35 M36 R37 Y43 L50 L52 I61 F63 | T35-I39 HydrophobicContact CG2-CD1 4.2Å; T35-I39 WeakPolarHBondContact O-CG1 3.5Å; T35-I39 PolarHBondContact O-N 2.98Å; T35-I39 VanDerWaalsContact O-N 3.07Å; M36-I39 HydrophobicContact CE-CD1 3.81Å; M36-I39 PolarHBondContact O-N 3.43Å; R37-I39 VanDerWaalsContact C-N 3.31Å; R37-I39 PolarHBondContact O-N 3.44Å; I39-Y43 PolarHBondContact O-N 3.22Å; I39-Y43 VanDerWaalsContact O-N 3.16Å; I39-L50 HydrophobicContact CB-CD2 4.33Å; I39-L50 HydrophobicContact CG1-CD2 3.87Å; I39-L52 HydrophobicContact CD1-CD1 4.06Å; I39-L52 HydrophobicContact CG1-CD1 3.9Å; I39-I61 HydrophobicContact CD1-CD1 3.62Å; I39-I61 HydrophobicContact CG1-CD1 3.76Å; I39-F63 HydrophobicContact CG2-CE1 4Å; I39-F63 HydrophobicContact CG2-CZ 4.26Å |
| 40 | N | 58.8 | Low | 61.4 | Low | 42 Ų | 42 | 76.2 Ų | 76.2 | 23% | 0.225 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -70.8 | -33.6 | -178.2 | -159 | 102.6 | 0 | 0 | 0 | 112.4 | M36 R37 Q44 | M36-N40 WeakPolarHBondContact O-CB 3.41Å; M36-N40 PolarHBondContact O-N 3.01Å; R37-N40 PolarHBondContact O-N 3.45Å; R37-N40 VanDerWaalsContact O-N 3.15Å; N40-Q44 PolarHBondContact ND2-OE1 3.19Å; N40-Q44 VanDerWaalsContact O-CG 3.31Å; N40-Q44 WeakPolarHBondContact O-CG 3.34Å; N40-Q44 PolarHBondContact O-N 3.45Å |
| 41 | N | 68.7 | Low | 62.9 | Low | 86 Ų | 86 | 80.9 Ų | 80.9 | 46% | 0.46 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.1 | -57.4 | 172 | -82.1 | 51.9 | 0 | 0 | 0 | 110.4 | R37 Y43 Q44 D45 | R37-N41 WeakPolarHBondContact O-CB 3.35Å; R37-N41 PolarHBondContact O-N 3.5Å; R37-N41 PolarHBondContact O-OD1 3.36Å; N41-Y43 PolarHBondContact O-N 3.31Å; N41-Y43 VanDerWaalsContact O-N 3.09Å; N41-Q44 CarbonylContact O-C 3.6Å; N41-Q44 WeakPolarHBondContact O-CA 3.38Å; N41-Q44 WeakPolarHBondContact O-CB 3.29Å; N41-Q44 PolarHBondContact O-N 3.32Å; N41-D45 VanDerWaalsContact C-OD2 3.24Å; N41-D45 PolarHBondContact O-N 3.27Å; N41-D45 VanDerWaalsContact O-OD2 3.07Å |
| 42 | A | 67.2 | Low | 63.9 | Low | 3 Ų | 3 | 79.1 Ų | 79.1 | 3% | 0.025 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -51.6 | -38.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L38 D45 G46 E47 L50 F63 | L38-A42 WeakPolarHBondContact O-CB 3.46Å; L38-A42 PolarHBondContact O-N 2.61Å; L38-A42 VanDerWaalsContact O-N 3.07Å; A42-D45 PolarHBondContact O-N 3.39Å; A42-G46 PolarHBondContact O-N 3.24Å; A42-E47 HydrophobicContact CB-CB 4.2Å; A42-E47 HydrophobicContact CB-CG 4.16Å; A42-E47 WeakPolarHBondContact CB-OE2 3.41Å; A42-E47 WeakPolarHBondContact O-CB 3.37Å; A42-E47 PolarHBondContact O-N 2.62Å; A42-L50 HydrophobicContact CB-CB 3.78Å; A42-L50 HydrophobicContact CB-CD1 3.97Å; A42-L50 HydrophobicContact CB-CD2 3.85Å; A42-L50 HydrophobicContact CB-CG 4.04Å; A42-F63 HydrophobicContact CB-CE2 4.21Å; A42-F63 HydrophobicContact CB-CZ 4.18Å |
| 43 | Y | 55.2 | Low | 64.2 | Low | 66 Ų | 66 | 77.5 Ų | 77.5 | 26% | 0.259 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68 | -36.3 | 175 | -166.9 | -102.4 | 0 | 0 | 0 | 113.4 | I6 I39 N41 F63 | I6-Y43 HydrophobicContact CB-CE1 4.08Å; I6-Y43 HydrophobicContact CG2-CE1 3.64Å; I39-Y43 PolarHBondContact O-N 3.22Å; I39-Y43 VanDerWaalsContact O-N 3.16Å; N41-Y43 PolarHBondContact O-N 3.31Å; N41-Y43 VanDerWaalsContact O-N 3.09Å; Y43-F63 HydrophobicContact CD2-CB 4.08Å; Y43-F63 AromaticContact CD2-CD1 3.46Å; Y43-F63 HydrophobicContact CD2-CD1 3.46Å; Y43-F63 VanDerWaalsContact CD2-CD1 3.46Å; Y43-F63 HydrophobicContact CD2-CD2 4.19Å; Y43-F63 AromaticContact CD2-CE1 3.78Å; Y43-F63 HydrophobicContact CD2-CE1 3.78Å; Y43-F63 HydrophobicContact CD2-CE2 4.46Å; Y43-F63 AromaticContact CD2-CG 3.67Å; Y43-F63 HydrophobicContact CD2-CG 3.67Å; Y43-F63 HydrophobicContact CD2-CZ 4.27Å; Y43-F63 HydrophobicContact CE2-CB 4.08Å; Y43-F63 HydrophobicContact CE2-CD1 4.15Å; Y43-F63 HydrophobicContact CE2-CG 4.19Å; Y43-F63 HydrophobicContact CG-CD1 4.33Å; Y43-F63 HydrophobicContact CG-CE1 4.24Å |
| 44 | Q | 58.2 | Low | 64.4 | Low | 112 Ų | 112 | 72.7 Ų | 72.7 | 52% | 0.523 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -74.9 | -30.3 | 174.3 | -71 | -179.3 | -50.8 | 0 | 0 | 112.7 | V7 N40 N41 G46 | V7-Q44 HydrophobicContact CG2-CG 4.07Å; N40-Q44 PolarHBondContact ND2-OE1 3.19Å; N40-Q44 VanDerWaalsContact O-CG 3.31Å; N40-Q44 WeakPolarHBondContact O-CG 3.34Å; N40-Q44 PolarHBondContact O-N 3.45Å; N41-Q44 CarbonylContact O-C 3.6Å; N41-Q44 WeakPolarHBondContact O-CA 3.38Å; N41-Q44 WeakPolarHBondContact O-CB 3.29Å; N41-Q44 PolarHBondContact O-N 3.32Å; Q44-G46 PolarHBondContact O-N 3.24Å |
| 45 | D | 70.4 | Confident | 64.4 | Low | 119 Ų | 119 | 71.4 Ų | 71.4 | 64% | 0.636 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -2.6 | 175.9 | -59.5 | -39.4 | 0 | 0 | 0 | 112.1 | N41 A42 | N41-D45 VanDerWaalsContact C-OD2 3.24Å; N41-D45 PolarHBondContact O-N 3.27Å; N41-D45 VanDerWaalsContact O-OD2 3.07Å; A42-D45 PolarHBondContact O-N 3.39Å |
| 46 | G | 57.6 | Low | 64.2 | Low | 64 Ų | 64 | 82.4 Ų | 82.4 | 66% | 0.66 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 13.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | A42 Q44 S48 | A42-G46 PolarHBondContact O-N 3.24Å; Q44-G46 PolarHBondContact O-N 3.24Å; G46-S48 PolarHBondContact O-N 2.87Å |
| 47 | E | 70.6 | Confident | 63.8 | Low | 86 Ų | 86 | 88.4 Ų | 88.4 | 40% | 0.402 | 44% | 0.436 | S | S | . | . | trans | -59.6 | 129.6 | 177 | -65.3 | -166.6 | 161 | 0 | 0 | 110.4 | A42 S49 L50 F63 | A42-E47 HydrophobicContact CB-CB 4.2Å; A42-E47 HydrophobicContact CB-CG 4.16Å; A42-E47 WeakPolarHBondContact CB-OE2 3.41Å; A42-E47 WeakPolarHBondContact O-CB 3.37Å; A42-E47 PolarHBondContact O-N 2.62Å; E47-S49 VanDerWaalsContact C-N 3.27Å; E47-S49 PolarHBondContact O-N 2.96Å; E47-L50 WeakPolarHBondContact OE2-CA 3.3Å; E47-L50 WeakPolarHBondContact OE2-CD1 3.33Å; E47-F63 WeakPolarHBondContact O-CD2 3.38Å | ||
| 48 | S | 67.5 | Low | 63.6 | Low | 82 Ų | 82 | 90.7 Ų | 90.7 | 57% | 0.573 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -68.7 | -28.8 | 171.6 | 58.3 | 0 | 0 | 0 | 0 | 112.1 | G46 F63 | G46-S48 PolarHBondContact O-N 2.87Å; S48-F63 PolarHBondContact O-N 3.07Å; S48-F63 VanDerWaalsContact O-N 3.15Å |
| 49 | S | 68.5 | Low | 63.2 | Low | 42 Ų | 42 | 89.7 Ų | 89.7 | 29% | 0.294 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 142.6 | 170.2 | 70.9 | 0 | 0 | 0 | 0 | 113.6 | E47 I61 | E47-S49 VanDerWaalsContact C-N 3.27Å; E47-S49 PolarHBondContact O-N 2.96Å; S49-I61 CarbonylContact C-O 3.53Å; S49-I61 WeakPolarHBondContact CA-O 3.33Å; S49-I61 WeakPolarHBondContact CB-O 3.44Å |
| 50 | L | 73.6 | Confident | 63.1 | Low | 10 Ų | 10 | 93.9 Ų | 93.9 | 5% | 0.052 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 134.7 | 177.9 | 172.7 | 62.5 | 0 | 0 | 0 | 112.5 | L38 I39 A42 E47 L52 M60 I61 F63 | L38-L50 HydrophobicContact CB-CD2 4.4Å; L38-L50 HydrophobicContact CD2-CD1 3.75Å; L38-L50 HydrophobicContact CD2-CD2 3.99Å; L38-L50 HydrophobicContact CD2-CG 4.47Å; L38-L50 WeakPolarHBondContact O-CD2 3.36Å; I39-L50 HydrophobicContact CB-CD2 4.33Å; I39-L50 HydrophobicContact CG1-CD2 3.87Å; A42-L50 HydrophobicContact CB-CB 3.78Å; A42-L50 HydrophobicContact CB-CD1 3.97Å; A42-L50 HydrophobicContact CB-CD2 3.85Å; A42-L50 HydrophobicContact CB-CG 4.04Å; E47-L50 WeakPolarHBondContact OE2-CA 3.3Å; E47-L50 WeakPolarHBondContact OE2-CD1 3.33Å; L50-L52 HydrophobicContact CD2-CD1 4.17Å; L50-L52 HydrophobicContact CD2-CD2 3.93Å; L50-L52 HydrophobicContact CD2-CG 3.94Å; L50-L52 HydrophobicContact CG-CD2 4.35Å; L50-L52 HydrophobicContact CG-CG 4.07Å; L50-M60 CarbonylContact O-C 3.58Å; L50-M60 VanDerWaalsContact O-CA 3.32Å; L50-M60 WeakPolarHBondContact O-CA 3.48Å; L50-I61 PolarHBondContact N-O 3.19Å; L50-I61 PolarHBondContact O-N 3.27Å; L50-F63 HydrophobicContact CB-CE2 4.26Å; L50-F63 HydrophobicContact CB-CZ 4.41Å |
| 51 | R | 73.5 | Confident | 63.4 | Low | 178 Ų | 178 | 92.9 Ų | 92.9 | 67% | 0.672 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 120.6 | 170.5 | -102 | 176.1 | -173.6 | 161.2 | 6.4 | 113.4 | V59 M60 | R51-V59 WeakPolarHBondContact CA-O 3.36Å; R51-M60 HydrophobicContact CG-CB 4.4Å; R51-M60 HydrophobicContact CG-CG 3.99Å; R51-M60 HydrophobicContact CG-SD 3.74Å; R51-M60 PolarHBondContact NE-SD 3.32Å |
| 52 | L | 70.6 | Confident | 63.2 | Low | 11 Ų | 11 | 91 Ų | 91 | 6% | 0.058 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 142.8 | 178.7 | -69.1 | 165.4 | 0 | 0 | 0 | 111.8 | T35 L38 I39 L50 I54 R58 V59 I61 | T35-L52 HydrophobicContact CG2-CD1 3.67Å; T35-L52 HydrophobicContact CG2-CD2 4.1Å; T35-L52 HydrophobicContact CG2-CG 4.45Å; L38-L52 HydrophobicContact CB-CD2 4.08Å; L38-L52 HydrophobicContact CD1-CD2 4.24Å; L38-L52 HydrophobicContact CD2-CD2 4.13Å; L38-L52 HydrophobicContact CG-CD2 4.39Å; I39-L52 HydrophobicContact CD1-CD1 4.06Å; I39-L52 HydrophobicContact CG1-CD1 3.9Å; L50-L52 HydrophobicContact CD2-CD1 4.17Å; L50-L52 HydrophobicContact CD2-CD2 3.93Å; L50-L52 HydrophobicContact CD2-CG 3.94Å; L50-L52 HydrophobicContact CG-CD2 4.35Å; L50-L52 HydrophobicContact CG-CG 4.07Å; L52-I54 HydrophobicContact CB-CD1 4.06Å; L52-I54 HydrophobicContact CB-CG1 4.11Å; L52-I54 HydrophobicContact CD1-CD1 4.3Å; L52-R58 CarbonylContact O-C 3.57Å; L52-R58 WeakPolarHBondContact O-CA 3.14Å; L52-V59 HydrophobicContact CB-CB 4.45Å; L52-V59 PolarHBondContact N-O 3.23Å; L52-V59 PolarHBondContact O-N 2.85Å; L52-I61 HydrophobicContact CD1-CD1 3.58Å; L52-I61 HydrophobicContact CD1-CG1 4.49Å |
| 53 | S | 65 | Low | 63 | Low | 97 Ų | 97 | 91.6 Ų | 91.6 | 68% | 0.678 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 110.4 | 170.3 | -171.8 | 0 | 0 | 0 | 0 | 110 | R57 | S53-R57 WeakPolarHBondContact CA-O 3.32Å |
| 54 | I | 59.3 | Low | 63 | Low | 30 Ų | 30 | 93.8 Ų | 93.8 | 15% | 0.154 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 122.7 | -172.4 | -53.8 | 179.3 | 0 | 0 | 0 | 108.6 | Y31 T35 L52 R56 R57 | Y31-I54 HydrophobicContact CD1-CD1 4.12Å; Y31-I54 HydrophobicContact CE1-CD1 3.61Å; T35-I54 HydrophobicContact CG2-CD1 3.79Å; L52-I54 HydrophobicContact CB-CD1 4.06Å; L52-I54 HydrophobicContact CB-CG1 4.11Å; L52-I54 HydrophobicContact CD1-CD1 4.3Å; I54-R56 VanDerWaalsContact C-N 3.26Å; I54-R56 PolarHBondContact O-N 3.39Å; I54-R57 PolarHBondContact N-O 3.08Å; I54-R57 PolarHBondContact O-N 3.33Å |
| 55 | N | 57.9 | Low | 62.8 | Low | 154 Ų | 154 | 91.4 Ų | 91.4 | 82% | 0.824 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 45 | -179.8 | -65.9 | -21.9 | 0 | 0 | 0 | 113.9 | R57 | N55-R57 PolarHBondContact O-N 3.49Š|
| 56 | R | 57.2 | Low | 61.8 | Low | 251 Ų | 251 | 89.9 Ų | 89.9 | 95% | 0.947 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 8 | -175.9 | -56.2 | 179.9 | 174.8 | 174.5 | -2.4 | 116 | I54 | I54-R56 VanDerWaalsContact C-N 3.26Å; I54-R56 PolarHBondContact O-N 3.39Å |
| 57 | R | 44 | Very low | 61.6 | Low | 163 Ų | 163 | 89.9 Ų | 89.9 | 62% | 0.615 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 139.2 | 169.4 | -64.1 | -173.8 | 177.2 | -163 | -2.1 | 110.2 | S53 I54 N55 | S53-R57 WeakPolarHBondContact CA-O 3.32Å; I54-R57 PolarHBondContact N-O 3.08Å; I54-R57 PolarHBondContact O-N 3.33Å; N55-R57 PolarHBondContact O-N 3.49Å |
| 58 | R | 59.8 | Low | 60.6 | Low | 221 Ų | 221 | 91 Ų | 91 | 83% | 0.834 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 128.5 | 166 | -75.5 | 176.3 | 166.8 | 174.5 | -6.7 | 108.2 | L52 | L52-R58 CarbonylContact O-C 3.57Å; L52-R58 WeakPolarHBondContact O-CA 3.14Å |
| 59 | V | 60.9 | Low | 59.8 | Low | 45 Ų | 45 | 90 Ų | 90 | 27% | 0.273 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 145.5 | 175.8 | -179.2 | 0 | 0 | 0 | 0 | 106.9 | R51 L52 I61 | R51-V59 WeakPolarHBondContact CA-O 3.36Å; L52-V59 HydrophobicContact CB-CB 4.45Å; L52-V59 PolarHBondContact N-O 3.23Å; L52-V59 PolarHBondContact O-N 2.85Å; V59-I61 HydrophobicContact CG1-CG1 4.44Å |
| 60 | M | 61.3 | Low | 58.9 | Low | 109 Ų | 109 | 89.9 Ų | 89.9 | 54% | 0.537 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 134.1 | 173.8 | -156.6 | 148.7 | 68.2 | 0 | 0 | 108 | L50 R51 | L50-M60 CarbonylContact O-C 3.58Å; L50-M60 VanDerWaalsContact O-CA 3.32Å; L50-M60 WeakPolarHBondContact O-CA 3.48Å; R51-M60 HydrophobicContact CG-CB 4.4Å; R51-M60 HydrophobicContact CG-CG 3.99Å; R51-M60 HydrophobicContact CG-SD 3.74Å; R51-M60 PolarHBondContact NE-SD 3.32Å |
| 61 | I | 63.8 | Low | 57.7 | Low | 22 Ų | 22 | 93.6 Ų | 93.6 | 11% | 0.113 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 108.7 | -178.3 | -66 | 174 | 0 | 0 | 0 | 107.5 | I39 S49 L50 L52 V59 F63 M66 | I39-I61 HydrophobicContact CD1-CD1 3.62Å; I39-I61 HydrophobicContact CG1-CD1 3.76Å; S49-I61 CarbonylContact C-O 3.53Å; S49-I61 WeakPolarHBondContact CA-O 3.33Å; S49-I61 WeakPolarHBondContact CB-O 3.44Å; L50-I61 PolarHBondContact N-O 3.19Å; L50-I61 PolarHBondContact O-N 3.27Å; L52-I61 HydrophobicContact CD1-CD1 3.58Å; L52-I61 HydrophobicContact CD1-CG1 4.49Å; V59-I61 HydrophobicContact CG1-CG1 4.44Å; I61-F63 HydrophobicContact CG2-CD1 4.48Å; I61-F63 HydrophobicContact CG2-CE1 4.28Å; I61-M66 HydrophobicContact CG2-CE 3.83Å |
| 62 | D | 65.3 | Low | 56.8 | Low | 47 Ų | 47 | 89.7 Ų | 89.7 | 25% | 0.251 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 120.5 | 174.1 | 178.1 | -24.1 | 0 | 0 | 0 | 109.8 | N64 K65 M66 | D62-N64 WeakPolarHBondContact OD1-CA 3.4Å; D62-N64 WeakPolarHBondContact OD1-CB 3.21Å; D62-N64 PolarHBondContact OD1-N 3.25Å; D62-K65 HydrophobicContact CB-CB 4.2Å; D62-K65 HydrophobicContact CB-CD 4.15Å; D62-K65 HydrophobicContact CB-CG 4.18Å; D62-K65 PolarHBondContact OD1-N 3.45Å; D62-K65 WeakPolarHBondContact OD2-CE 3.39Å; D62-K65 WeakPolarHBondContact OD2-CG 3.25Å; D62-M66 PolarHBondContact O-N 2.98Å |
| 63 | F | 62.9 | Low | 56.1 | Low | 15 Ų | 15 | 90.2 Ų | 90.2 | 7% | 0.066 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -79.8 | -22.8 | -177.6 | -64.8 | -75.3 | 0 | 0 | 0 | 113.3 | I39 A42 Y43 E47 S48 L50 I61 M66 V67 | I39-F63 HydrophobicContact CG2-CE1 4Å; I39-F63 HydrophobicContact CG2-CZ 4.26Å; A42-F63 HydrophobicContact CB-CE2 4.21Å; A42-F63 HydrophobicContact CB-CZ 4.18Å; Y43-F63 HydrophobicContact CD2-CB 4.08Å; Y43-F63 AromaticContact CD2-CD1 3.46Å; Y43-F63 HydrophobicContact CD2-CD1 3.46Å; Y43-F63 VanDerWaalsContact CD2-CD1 3.46Å; Y43-F63 HydrophobicContact CD2-CD2 4.19Å; Y43-F63 AromaticContact CD2-CE1 3.78Å; Y43-F63 HydrophobicContact CD2-CE1 3.78Å; Y43-F63 HydrophobicContact CD2-CE2 4.46Å; Y43-F63 AromaticContact CD2-CG 3.67Å; Y43-F63 HydrophobicContact CD2-CG 3.67Å; Y43-F63 HydrophobicContact CD2-CZ 4.27Å; Y43-F63 HydrophobicContact CE2-CB 4.08Å; Y43-F63 HydrophobicContact CE2-CD1 4.15Å; Y43-F63 HydrophobicContact CE2-CG 4.19Å; Y43-F63 HydrophobicContact CG-CD1 4.33Å; Y43-F63 HydrophobicContact CG-CE1 4.24Å; E47-F63 WeakPolarHBondContact O-CD2 3.38Å; S48-F63 PolarHBondContact O-N 3.07Å; S48-F63 VanDerWaalsContact O-N 3.15Å; L50-F63 HydrophobicContact CB-CE2 4.26Å; L50-F63 HydrophobicContact CB-CZ 4.41Å; I61-F63 HydrophobicContact CG2-CD1 4.48Å; I61-F63 HydrophobicContact CG2-CE1 4.28Å; F63-M66 WeakPolarHBondContact O-CB 3.46Å; F63-M66 PolarHBondContact O-N 3.13Å; F63-V67 PolarHBondContact O-N 3.23Å |
| 64 | N | 55.4 | Low | 55.7 | Low | 112 Ų | 112 | 94.4 Ų | 94.4 | 60% | 0.599 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -69.8 | -44.6 | 174.2 | -65.6 | -64.4 | 0 | 0 | 0 | 110.6 | D62 M66 V67 Q68 | D62-N64 WeakPolarHBondContact OD1-CA 3.4Å; D62-N64 WeakPolarHBondContact OD1-CB 3.21Å; D62-N64 PolarHBondContact OD1-N 3.25Å; N64-M66 PolarHBondContact O-N 2.89Å; N64-V67 PolarHBondContact O-N 3.13Å; N64-V67 VanDerWaalsContact O-N 3.15Å; N64-Q68 PolarHBondContact O-N 2.89Å; N64-Q68 VanDerWaalsContact O-N 3.15Å |
| 65 | K | 53 | Low | 55.5 | Low | 61 Ų | 61 | 94.7 Ų | 94.7 | 27% | 0.265 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -58.2 | -36.7 | 172.3 | -70.8 | -175.8 | -171.2 | -158.4 | 0 | 111.8 | D62 V67 Q68 V69 E519 | D62-K65 HydrophobicContact CB-CB 4.2Å; D62-K65 HydrophobicContact CB-CD 4.15Å; D62-K65 HydrophobicContact CB-CG 4.18Å; D62-K65 PolarHBondContact OD1-N 3.45Å; D62-K65 WeakPolarHBondContact OD2-CE 3.39Å; D62-K65 WeakPolarHBondContact OD2-CG 3.25Å; K65-V67 PolarHBondContact O-N 3.46Å; K65-Q68 PolarHBondContact O-N 2.96Å; K65-V69 PolarHBondContact O-N 3.31Å; K65-E519 IonicContact NZ-OE2 3.8Å; K65-E519 PolarHBondContact NZ-OE2 3.38Å |
| 66 | M | 50.5 | Low | 55.4 | Low | 87 Ų | 87 | 88.6 Ų | 88.6 | 43% | 0.429 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 177.3 | -164.4 | 176.4 | -65 | 0 | 0 | 112.7 | I61 D62 F63 N64 I70 | I61-M66 HydrophobicContact CG2-CE 3.83Å; D62-M66 PolarHBondContact O-N 2.98Å; F63-M66 WeakPolarHBondContact O-CB 3.46Å; F63-M66 PolarHBondContact O-N 3.13Å; N64-M66 PolarHBondContact O-N 2.89Å; M66-I70 WeakPolarHBondContact O-CD1 3.45Å; M66-I70 WeakPolarHBondContact O-CG1 3.5Å |
| 67 | V | 53.9 | Low | 55.4 | Low | 64 Ų | 64 | 77.1 Ų | 77.1 | 39% | 0.388 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.5 | -37.6 | 174.4 | 175.8 | 0 | 0 | 0 | 0 | 111.7 | F63 N64 K65 I70 L71 | F63-V67 PolarHBondContact O-N 3.23Å; N64-V67 PolarHBondContact O-N 3.13Å; N64-V67 VanDerWaalsContact O-N 3.15Å; K65-V67 PolarHBondContact O-N 3.46Å; V67-I70 PolarHBondContact O-N 2.76Å; V67-L71 HydrophobicContact CG1-CD1 4.39Å; V67-L71 PolarHBondContact O-N 3.12Å |
| 68 | Q | 47.8 | Very low | 56.3 | Low | 110 Ų | 110 | 75.1 Ų | 75.1 | 51% | 0.514 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64 | -44.1 | -179.4 | -171.4 | 177.6 | -34.3 | 0 | 0 | 112.5 | N64 K65 I70 L71 E72 | N64-Q68 PolarHBondContact O-N 2.89Å; N64-Q68 VanDerWaalsContact O-N 3.15Å; K65-Q68 PolarHBondContact O-N 2.96Å; Q68-I70 PolarHBondContact O-N 3.03Å; Q68-L71 WeakPolarHBondContact O-CB 3.37Å; Q68-L71 PolarHBondContact O-N 3.32Å; Q68-E72 WeakPolarHBondContact CG-OE1 3.23Å; Q68-E72 PolarHBondContact NE2-OE1 3.15Å; Q68-E72 PolarHBondContact O-N 2.94Å |
| 69 | V | 50.6 | Low | 56.4 | Low | 60 Ų | 60 | 65 Ų | 65 | 36% | 0.364 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.5 | -30 | 177.8 | 174.9 | 0 | 0 | 0 | 0 | 112.6 | K65 L71 S73 | K65-V69 PolarHBondContact O-N 3.31Å; V69-L71 VanDerWaalsContact C-N 3.32Å; V69-S73 PolarHBondContact O-OG 3.2Å |
| 70 | I | 51.2 | Low | 56.5 | Low | 41 Ų | 41 | 63.7 Ų | 63.7 | 21% | 0.21 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.8 | -28.4 | 175.1 | -64.8 | 161.2 | 0 | 0 | 0 | 111.5 | F9 M66 V67 Q68 S73 L80 | F9-I70 HydrophobicContact CE1-CD1 3.92Å; F9-I70 HydrophobicContact CE1-CG2 4.4Å; F9-I70 HydrophobicContact CZ-CG2 4.05Å; M66-I70 WeakPolarHBondContact O-CD1 3.45Å; M66-I70 WeakPolarHBondContact O-CG1 3.5Å; V67-I70 PolarHBondContact O-N 2.76Å; Q68-I70 PolarHBondContact O-N 3.03Å; I70-S73 PolarHBondContact O-OG 3.49Å; I70-L80 HydrophobicContact CG2-CD1 4.21Å |
| 71 | L | 48.7 | Very low | 56.7 | Low | 88 Ų | 88 | 58.5 Ų | 58.5 | 46% | 0.461 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -85.4 | -31.8 | 178.8 | -68.2 | 169.6 | 0 | 0 | 0 | 113.2 | V67 Q68 V69 S73 F107 | V67-L71 HydrophobicContact CG1-CD1 4.39Å; V67-L71 PolarHBondContact O-N 3.12Å; Q68-L71 WeakPolarHBondContact O-CB 3.37Å; Q68-L71 PolarHBondContact O-N 3.32Å; V69-L71 VanDerWaalsContact C-N 3.32Å; L71-S73 VanDerWaalsContact C-N 3.31Å; L71-S73 PolarHBondContact O-N 2.71Å; L71-F107 HydrophobicContact CD2-CD1 4.23Å; L71-F107 HydrophobicContact CD2-CE1 4.01Å |
| 72 | E | 52.8 | Low | 56.8 | Low | 96 Ų | 96 | 59 Ų | 59 | 45% | 0.449 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70.5 | -26.4 | 178.3 | -71.6 | 175.3 | -168.1 | 0 | 0 | 113 | Q68 R74 | Q68-E72 WeakPolarHBondContact CG-OE1 3.23Å; Q68-E72 PolarHBondContact NE2-OE1 3.15Å; Q68-E72 PolarHBondContact O-N 2.94Å; E72-R74 PolarHBondContact O-N 2.83Å |
| 73 | S | 57.2 | Low | 57 | Low | 22 Ų | 22 | 59 Ų | 59 | 15% | 0.154 | 29% | 0.289 | C | S | . | . | trans | -81.3 | 84.2 | -172.4 | 38.7 | 0 | 0 | 0 | 0 | 113.1 | V69 I70 L71 K75 L76 F77 | V69-S73 PolarHBondContact O-OG 3.2Å; I70-S73 PolarHBondContact O-OG 3.49Å; L71-S73 VanDerWaalsContact C-N 3.31Å; L71-S73 PolarHBondContact O-N 2.71Å; S73-K75 PolarHBondContact O-N 3.08Å; S73-L76 PolarHBondContact O-N 3.35Å; S73-F77 PolarHBondContact O-N 3.3Å | ||
| 74 | R | 55.9 | Low | 57.4 | Low | 185 Ų | 185 | 58.5 Ų | 58.5 | 70% | 0.698 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -37.9 | -34.9 | 176.8 | -80.2 | -179.3 | 160.9 | -173.9 | -4.9 | 116.3 | E72 F78 | E72-R74 PolarHBondContact O-N 2.83Å; R74-F78 WeakPolarHBondContact O-CD2 3.23Å; R74-F78 PolarHBondContact O-N 3.04Å |
| 75 | K | 55.6 | Low | 58.2 | Low | 36 Ų | 36 | 53.2 Ų | 53.2 | 16% | 0.157 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.5 | -51.5 | 177.7 | -81.9 | 160.3 | 178.9 | 169.9 | 0 | 112 | S73 F77 F78 E531 E532 L534 R535 M538 | S73-K75 PolarHBondContact O-N 3.08Å; K75-F77 PolarHBondContact O-N 3.19Å; K75-F78 PolarHBondContact O-N 2.91Å; K75-E531 HydrophobicContact CD-CG 4.11Å; K75-E531 WeakPolarHBondContact CD-O 3.29Å; K75-E531 WeakPolarHBondContact CE-O 3.43Å; K75-E531 PolarHBondContact NZ-O 3.36Å; K75-E532 IonicContact NZ-OE1 2.89Å; K75-E532 PolarHBondContact NZ-OE1 3.31Å; K75-L534 HydrophobicContact CB-CB 4.24Å; K75-L534 HydrophobicContact CB-CD2 4.14Å; K75-L534 HydrophobicContact CD-CB 4.22Å; K75-R535 HydrophobicContact CD-CB 3.98Å; K75-M538 VanDerWaalsContact C-SD 3.53Å; K75-M538 HydrophobicContact CB-SD 3.5Å; K75-M538 WeakPolarHBondContact CB-SD 3.43Å; K75-M538 HydrophobicContact CG-SD 3.92Å; K75-M538 WeakPolarHBondContact O-CE 3.42Å |
| 76 | L | 56.1 | Low | 59.1 | Low | 26 Ų | 26 | 54.6 Ų | 54.6 | 14% | 0.136 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.3 | -39.3 | 171.4 | -93.2 | 170.3 | 0 | 0 | 0 | 111.4 | F13 S73 F78 L79 L80 L534 | F13-L76 HydrophobicContact CE2-CD1 3.98Å; F13-L76 HydrophobicContact CE2-CD2 4.23Å; F13-L76 HydrophobicContact CZ-CD1 4.05Å; S73-L76 PolarHBondContact O-N 3.35Å; L76-F78 PolarHBondContact O-N 3.39Å; L76-L79 WeakPolarHBondContact O-CB 3.37Å; L76-L79 PolarHBondContact O-N 2.67Å; L76-L79 VanDerWaalsContact O-N 3.13Å; L76-L80 HydrophobicContact CB-CD1 4.41Å; L76-L80 WeakPolarHBondContact O-CG 3.46Å; L76-L80 PolarHBondContact O-N 3.27Å; L76-L534 HydrophobicContact CB-CD2 4.34Å; L76-L534 HydrophobicContact CD1-CD2 4.04Å; L76-L534 HydrophobicContact CG-CD2 3.93Å; L76-L534 HydrophobicContact CG-CG 4.49Å |
| 77 | F | 57.5 | Low | 60 | Low | 10 Ų | 10 | 54.1 Ų | 54.1 | 4% | 0.044 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -54.8 | -53.4 | 179.5 | 168.4 | -105.7 | 0 | 0 | 0 | 113.8 | S73 K75 L79 L80 S81 F107 L113 A116 | S73-F77 PolarHBondContact O-N 3.3Å; K75-F77 PolarHBondContact O-N 3.19Å; F77-L79 PolarHBondContact O-N 3.03Å; F77-L80 PolarHBondContact O-N 3Å; F77-L80 VanDerWaalsContact O-N 3.13Å; F77-S81 PolarHBondContact O-N 2.69Å; F77-F107 HydrophobicContact CD2-CD1 4.36Å; F77-F107 HydrophobicContact CE2-CB 4.33Å; F77-F107 HydrophobicContact CE2-CD1 4.33Å; F77-F107 HydrophobicContact CE2-CG 4.16Å; F77-L113 HydrophobicContact CD1-CD2 3.56Å; F77-L113 HydrophobicContact CD2-CB 4.31Å; F77-L113 HydrophobicContact CD2-CD1 4.04Å; F77-L113 HydrophobicContact CD2-CD2 3.68Å; F77-L113 HydrophobicContact CD2-CG 4.19Å; F77-L113 HydrophobicContact CE1-CB 4.14Å; F77-L113 HydrophobicContact CE1-CD2 3.57Å; F77-L113 HydrophobicContact CE1-CG 4.39Å; F77-L113 HydrophobicContact CE2-CB 3.53Å; F77-L113 HydrophobicContact CE2-CD1 4.01Å; F77-L113 HydrophobicContact CE2-CD2 3.73Å; F77-L113 HydrophobicContact CE2-CG 3.9Å; F77-L113 HydrophobicContact CG-CD2 3.63Å; F77-L113 HydrophobicContact CZ-CB 3.44Å; F77-L113 VanDerWaalsContact CZ-CB 3.44Å; F77-L113 HydrophobicContact CZ-CD2 3.69Å; F77-L113 HydrophobicContact CZ-CG 4.03Å; F77-A116 HydrophobicContact CE1-CB 3.52Å; F77-A116 HydrophobicContact CZ-CB 3.69Å |
| 78 | F | 61.3 | Low | 60.8 | Low | 120 Ų | 120 | 51.2 Ų | 51.2 | 53% | 0.526 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.8 | -28.5 | 179.4 | -87 | -74.5 | 0 | 0 | 0 | 112.9 | R74 K75 L76 S82 A116 | R74-F78 WeakPolarHBondContact O-CD2 3.23Å; R74-F78 PolarHBondContact O-N 3.04Å; K75-F78 PolarHBondContact O-N 2.91Å; L76-F78 PolarHBondContact O-N 3.39Å; F78-S82 PolarHBondContact O-N 2.96Å; F78-A116 HydrophobicContact CD1-CB 4.14Å; F78-A116 HydrophobicContact CE1-CB 3.67Å; F78-A116 HydrophobicContact CZ-CB 4.34Å |
| 79 | L | 63.6 | Low | 61.8 | Low | 10 Ų | 10 | 48 Ų | 48 | 5% | 0.052 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.6 | -45.7 | 174.2 | -168.9 | 68.2 | 0 | 0 | 0 | 110.8 | L76 F77 S82 I83 M538 V541 K542 | L76-L79 WeakPolarHBondContact O-CB 3.37Å; L76-L79 PolarHBondContact O-N 2.67Å; L76-L79 VanDerWaalsContact O-N 3.13Å; F77-L79 PolarHBondContact O-N 3.03Å; L79-S82 WeakPolarHBondContact O-CB 3.32Å; L79-S82 PolarHBondContact O-N 3.19Å; L79-I83 HydrophobicContact CG-CD1 3.99Å; L79-I83 VanDerWaalsContact O-CG1 3.29Å; L79-I83 WeakPolarHBondContact O-CG1 3.46Å; L79-I83 PolarHBondContact O-N 3.04Å; L79-M538 HydrophobicContact CB-CE 4.26Å; L79-M538 HydrophobicContact CD2-CG 4.4Å; L79-V541 HydrophobicContact CD2-CB 4.15Å; L79-V541 HydrophobicContact CD2-CG1 3.92Å; L79-K542 HydrophobicContact CD1-CD 4.28Å; L79-K542 HydrophobicContact CD1-CG 3.61Å |
| 80 | L | 62.8 | Low | 62.4 | Low | 16 Ų | 16 | 48 Ų | 48 | 8% | 0.084 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.4 | -43.4 | 178.6 | -71.2 | 164.4 | 0 | 0 | 0 | 112.2 | F9 I70 L76 F77 S82 I83 C84 F107 | F9-L80 HydrophobicContact CE2-CD2 3.73Å; F9-L80 HydrophobicContact CZ-CD2 4.15Å; I70-L80 HydrophobicContact CG2-CD1 4.21Å; L76-L80 HydrophobicContact CB-CD1 4.41Å; L76-L80 WeakPolarHBondContact O-CG 3.46Å; L76-L80 PolarHBondContact O-N 3.27Å; F77-L80 PolarHBondContact O-N 3Å; F77-L80 VanDerWaalsContact O-N 3.13Å; L80-S82 VanDerWaalsContact C-N 3.32Å; L80-S82 PolarHBondContact O-N 3.2Å; L80-I83 PolarHBondContact O-N 2.87Å; L80-C84 WeakPolarHBondContact O-CB 3.22Å; L80-C84 PolarHBondContact O-N 2.85Å; L80-C84 PolarHBondContact O-SG 3.3Å; L80-C84 VanDerWaalsContact O-SG 3.4Å; L80-F107 HydrophobicContact CB-CE2 3.85Å; L80-F107 HydrophobicContact CB-CZ 3.65Å; L80-F107 HydrophobicContact CD1-CZ 4.04Å; L80-F107 HydrophobicContact CG-CZ 4.33Å |
| 81 | S | 64.7 | Low | 63.1 | Low | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.7 | -42.5 | 174.6 | -170.2 | 0 | 0 | 0 | 0 | 111.7 | F77 C84 C85 | F77-S81 PolarHBondContact O-N 2.69Å; S81-C84 PolarHBondContact O-N 3.29Å; S81-C85 PolarHBondContact O-N 2.87Å; S81-C85 PolarHBondContact O-SG 2.84Å |
| 82 | S | 66.9 | Low | 63.9 | Low | 32 Ų | 32 | 51.4 Ų | 51.4 | 22% | 0.224 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 175.2 | -168.5 | 0 | 0 | 0 | 0 | 111.6 | F78 L79 L80 C85 D86 | F78-S82 PolarHBondContact O-N 2.96Å; L79-S82 WeakPolarHBondContact O-CB 3.32Å; L79-S82 PolarHBondContact O-N 3.19Å; L80-S82 VanDerWaalsContact C-N 3.32Å; L80-S82 PolarHBondContact O-N 3.2Å; S82-C85 PolarHBondContact O-N 3.22Å; S82-D86 WeakPolarHBondContact O-CB 3.49Å; S82-D86 PolarHBondContact O-N 3.06Å |
| 83 | I | 68.9 | Low | 64.6 | Low | 48 Ų | 48 | 54 Ų | 54 | 25% | 0.246 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.9 | -43 | 179.1 | -69.8 | 163.1 | 0 | 0 | 0 | 111.2 | L79 L80 D86 L87 I545 | L79-I83 HydrophobicContact CG-CD1 3.99Å; L79-I83 VanDerWaalsContact O-CG1 3.29Å; L79-I83 WeakPolarHBondContact O-CG1 3.46Å; L79-I83 PolarHBondContact O-N 3.04Å; L80-I83 PolarHBondContact O-N 2.87Å; I83-D86 PolarHBondContact O-N 3.41Å; I83-L87 HydrophobicContact CG2-CD1 3.76Å; I83-L87 HydrophobicContact CG2-CG 4.38Å; I83-L87 WeakPolarHBondContact O-CG 3.07Å; I83-L87 PolarHBondContact O-N 3.5Å; I83-I545 HydrophobicContact CD1-CD1 3.82Å; I83-I545 HydrophobicContact CG1-CD1 3.76Å |
| 84 | C | 70.5 | Confident | 64.9 | Low | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.02 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.3 | -46 | 174.9 | -76 | 0 | 0 | 0 | 0 | 111.9 | L80 S81 D86 L87 L88 V100 | L80-C84 WeakPolarHBondContact O-CB 3.22Å; L80-C84 PolarHBondContact O-N 2.85Å; L80-C84 PolarHBondContact O-SG 3.3Å; L80-C84 VanDerWaalsContact O-SG 3.4Å; S81-C84 PolarHBondContact O-N 3.29Å; C84-D86 VanDerWaalsContact C-N 3.31Å; C84-D86 PolarHBondContact O-N 3.04Å; C84-L87 PolarHBondContact O-N 3.22Å; C84-L88 WeakPolarHBondContact O-CG 3.44Å; C84-L88 PolarHBondContact O-N 2.97Å; C84-L88 VanDerWaalsContact O-N 3.1Å; C84-V100 HydrophobicContact CB-CG1 4.35Å |
| 85 | C | 72.6 | Confident | 65.3 | Low | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.007 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63 | -36.1 | 174.1 | -65.2 | 0 | 0 | 0 | 0 | 112 | S81 S82 L88 S120 G122 K125 | S81-C85 PolarHBondContact O-N 2.87Å; S81-C85 PolarHBondContact O-SG 2.84Å; S82-C85 PolarHBondContact O-N 3.22Å; C85-L88 PolarHBondContact O-N 3.34Å; C85-S120 VanDerWaalsContact SG-CB 3.57Å; C85-G122 VanDerWaalsContact SG-CA 3.53Å; C85-K125 WeakPolarHBondContact O-CD 3.42Å; C85-K125 WeakPolarHBondContact O-CE 3.48Å; C85-K125 PolarHBondContact O-NZ 3.11Å |
| 86 | D | 71 | Confident | 65.7 | Low | 90 Ų | 90 | 53.6 Ų | 53.6 | 48% | 0.481 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -75.2 | -21.3 | 178.4 | -69.5 | -31.4 | 0 | 0 | 0 | 114.1 | S82 I83 C84 K125 | S82-D86 WeakPolarHBondContact O-CB 3.49Å; S82-D86 PolarHBondContact O-N 3.06Å; I83-D86 PolarHBondContact O-N 3.41Å; C84-D86 VanDerWaalsContact C-N 3.31Å; C84-D86 PolarHBondContact O-N 3.04Å; D86-K125 IonicContact OD1-NZ 2.79Å; D86-K125 PolarHBondContact OD1-NZ 3.22Å |
| 87 | L | 70 | Confident | 66.4 | Low | 78 Ų | 78 | 52.5 Ų | 52.5 | 41% | 0.408 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -90.4 | -13.4 | 173.5 | -66.8 | 169.9 | 0 | 0 | 0 | 114 | I83 C84 C89 T92 V100 | I83-L87 HydrophobicContact CG2-CD1 3.76Å; I83-L87 HydrophobicContact CG2-CG 4.38Å; I83-L87 WeakPolarHBondContact O-CG 3.07Å; I83-L87 PolarHBondContact O-N 3.5Å; C84-L87 PolarHBondContact O-N 3.22Å; L87-C89 VanDerWaalsContact C-N 3.27Å; L87-C89 PolarHBondContact O-N 2.81Å; L87-T92 PolarHBondContact O-OG1 2.93Å; L87-V100 HydrophobicContact CB-CG1 4.23Å; L87-V100 HydrophobicContact CB-CG2 3.69Å; L87-V100 HydrophobicContact CD1-CG2 3.77Å; L87-V100 HydrophobicContact CG-CG2 4.38Å |
| 88 | L | 71.2 | Confident | 66.9 | Low | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | trans | -75 | 80.8 | 166.9 | -73.1 | 170.7 | 0 | 0 | 0 | 109.1 | C84 C85 L97 V100 L101 F117 K125 L129 | C84-L88 WeakPolarHBondContact O-CG 3.44Å; C84-L88 PolarHBondContact O-N 2.97Å; C84-L88 VanDerWaalsContact O-N 3.1Å; C85-L88 PolarHBondContact O-N 3.34Å; L88-L97 HydrophobicContact CD2-CD1 3.92Å; L88-V100 HydrophobicContact CD2-CG1 4.11Å; L88-V100 HydrophobicContact CG-CG1 4Å; L88-L101 HydrophobicContact CD2-CD2 3.73Å; L88-L101 HydrophobicContact CD2-CG 4.05Å; L88-F117 HydrophobicContact CD1-CE2 3.94Å; L88-F117 HydrophobicContact CD1-CZ 4.07Å; L88-K125 HydrophobicContact CB-CB 4.03Å; L88-L129 HydrophobicContact CD2-CD1 4.42Å | ||
| 89 | C | 68.7 | Low | 67 | Low | 44 Ų | 44 | 49.1 Ų | 49.1 | 30% | 0.297 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -138.7 | 156.5 | 173.9 | 82.7 | 0 | 0 | 0 | 0 | 111.4 | L87 Q91 T92 | L87-C89 VanDerWaalsContact C-N 3.27Å; L87-C89 PolarHBondContact O-N 2.81Å; C89-Q91 PolarHBondContact O-N 2.9Å; C89-T92 PolarHBondContact O-N 3.18Å; C89-T92 PolarHBondContact O-OG1 2.85Å; C89-T92 PolarHBondContact SG-OG1 2.8Å |
| 90 | P | 63 | Low | 67.4 | Low | 58 Ų | 58 | 49.1 Ų | 49.1 | 38% | 0.377 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -3.6 | -177.3 | -24.3 | 35.6 | 0 | 0 | 0 | 116 | Q133 | P90-Q133 PolarHBondContact O-NE2 3.2Å; P90-Q133 VanDerWaalsContact O-NE2 3.09Å |
| 91 | Q | 66.1 | Low | 68 | Low | 177 Ų | 177 | 48.4 Ų | 48.4 | 83% | 0.827 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -3.6 | -179.3 | -64.5 | -176.4 | -12.9 | 0 | 0 | 114 | C89 | C89-Q91 PolarHBondContact O-N 2.9Š|
| 92 | T | 65 | Low | 68.1 | Low | 24 Ų | 24 | 53 Ų | 53 | 15% | 0.147 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -73.3 | 134.2 | -179.5 | -58.1 | 0 | 0 | 0 | 0 | 111.5 | L87 C89 C96 L97 | L87-T92 PolarHBondContact O-OG1 2.93Å; C89-T92 PolarHBondContact O-N 3.18Å; C89-T92 PolarHBondContact O-OG1 2.85Å; C89-T92 PolarHBondContact SG-OG1 2.8Å; T92-C96 HydrophobicContact CG2-CB 3.54Å; T92-L97 HydrophobicContact CG2-CB 4.07Å |
| 93 | E | 67.8 | Low | 68.3 | Low | 151 Ų | 151 | 54.1 Ų | 54.1 | 71% | 0.706 | 29% | 0.289 | S | S | * | . | trans | -60 | 148.7 | 174.3 | -67.9 | -177.4 | 143 | 0 | 0 | 112 | D95 C96 L97 | E93-D95 PolarHBondContact O-N 2.84Å; E93-C96 WeakPolarHBondContact O-CB 3.37Å; E93-C96 PolarHBondContact O-N 3.28Å; E93-L97 PolarHBondContact O-N 2.88Å | ||
| 94 | S | 64.3 | Low | 68.5 | Low | 51 Ų | 51 | 51.9 Ų | 51.9 | 36% | 0.357 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -49.9 | -51.5 | -173.3 | -172 | 0 | 0 | 0 | 0 | 113.4 | C96 L97 Q98 | S94-C96 VanDerWaalsContact C-N 3.32Å; S94-C96 PolarHBondContact O-N 2.97Å; S94-L97 PolarHBondContact O-N 3.38Å; S94-Q98 WeakPolarHBondContact O-CB 3.43Å; S94-Q98 PolarHBondContact O-N 3.14Å |
| 95 | D | 63.2 | Low | 68.6 | Low | 121 Ų | 121 | 52.2 Ų | 52.2 | 65% | 0.647 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -64 | -38.1 | -177.7 | -57.2 | 0.3 | 0 | 0 | 0 | 111.8 | E93 A99 | E93-D95 PolarHBondContact O-N 2.84Å; D95-A99 WeakPolarHBondContact O-CB 3.42Å; D95-A99 PolarHBondContact O-N 3.24Å |
| 96 | C | 63.9 | Low | 68.3 | Low | 62 Ų | 62 | 60.2 Ų | 60.2 | 42% | 0.419 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.5 | -43.2 | 175.4 | -72.8 | 0 | 0 | 0 | 0 | 111.4 | T92 E93 S94 Q98 A99 V100 | T92-C96 HydrophobicContact CG2-CB 3.54Å; E93-C96 WeakPolarHBondContact O-CB 3.37Å; E93-C96 PolarHBondContact O-N 3.28Å; S94-C96 VanDerWaalsContact C-N 3.32Å; S94-C96 PolarHBondContact O-N 2.97Å; C96-Q98 VanDerWaalsContact C-N 3.35Å; C96-A99 PolarHBondContact O-N 3.15Å; C96-V100 WeakPolarHBondContact O-CB 3.43Å; C96-V100 VanDerWaalsContact O-CG2 3.24Å; C96-V100 WeakPolarHBondContact O-CG2 3.46Å; C96-V100 PolarHBondContact O-N 3.15Å |
| 97 | L | 71 | Confident | 68.3 | Low | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 176.8 | -179.1 | 62.2 | 0 | 0 | 0 | 110.7 | L88 T92 E93 S94 V100 L101 L129 Q133 L138 | L88-L97 HydrophobicContact CD2-CD1 3.92Å; T92-L97 HydrophobicContact CG2-CB 4.07Å; E93-L97 PolarHBondContact O-N 2.88Å; S94-L97 PolarHBondContact O-N 3.38Å; L97-V100 PolarHBondContact O-N 3.26Å; L97-L101 HydrophobicContact CD1-CD1 4.14Å; L97-L101 HydrophobicContact CD1-CG 4.39Å; L97-L101 HydrophobicContact CG-CD1 4.01Å; L97-L101 WeakPolarHBondContact O-CB 3.48Å; L97-L101 WeakPolarHBondContact O-CG 3.43Å; L97-L101 PolarHBondContact O-N 3.31Å; L97-L129 HydrophobicContact CD1-CD2 4.14Å; L97-L129 HydrophobicContact CD2-CD2 4.41Å; L97-Q133 HydrophobicContact CD2-CB 4.28Å; L97-L138 HydrophobicContact CD2-CD2 4.01Å; L97-L138 HydrophobicContact CG-CD2 4.34Å |
| 98 | Q | 68.3 | Low | 68.5 | Low | 31 Ų | 31 | 52.9 Ų | 52.9 | 15% | 0.145 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.4 | -39 | 176.6 | -170.3 | 171.6 | 11 | 0 | 0 | 112.3 | S94 C96 R102 E137 L138 I141 | S94-Q98 WeakPolarHBondContact O-CB 3.43Å; S94-Q98 PolarHBondContact O-N 3.14Å; C96-Q98 VanDerWaalsContact C-N 3.35Å; Q98-R102 VanDerWaalsContact NE2-NH2 3.17Å; Q98-R102 WeakPolarHBondContact O-CB 3.49Å; Q98-R102 VanDerWaalsContact O-CG 3.32Å; Q98-R102 WeakPolarHBondContact O-CG 3.47Å; Q98-R102 PolarHBondContact O-N 3.01Å; Q98-E137 PolarHBondContact NE2-OE2 3.09Å; Q98-L138 HydrophobicContact CB-CD1 4.5Å; Q98-I141 HydrophobicContact CG-CD1 4.49Å |
| 99 | A | 64.6 | Low | 68.4 | Low | 27 Ų | 27 | 59 Ų | 59 | 22% | 0.223 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | P5 D95 C96 R102 L103 | P5-A99 HydrophobicContact CB-CB 4.03Å; P5-A99 HydrophobicContact CG-CB 3.99Å; D95-A99 WeakPolarHBondContact O-CB 3.42Å; D95-A99 PolarHBondContact O-N 3.24Å; C96-A99 PolarHBondContact O-N 3.15Å; A99-R102 PolarHBondContact O-N 3.46Å; A99-L103 WeakPolarHBondContact O-CB 3.43Å; A99-L103 PolarHBondContact O-N 3.01Å |
| 100 | V | 71.2 | Confident | 68.3 | Low | 11 Ų | 11 | 60.7 Ų | 60.7 | 7% | 0.067 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 176.1 | 169 | 0 | 0 | 0 | 0 | 111.1 | C84 L87 L88 C96 L97 L103 C104 | C84-V100 HydrophobicContact CB-CG1 4.35Å; L87-V100 HydrophobicContact CB-CG1 4.23Å; L87-V100 HydrophobicContact CB-CG2 3.69Å; L87-V100 HydrophobicContact CD1-CG2 3.77Å; L87-V100 HydrophobicContact CG-CG2 4.38Å; L88-V100 HydrophobicContact CD2-CG1 4.11Å; L88-V100 HydrophobicContact CG-CG1 4Å; C96-V100 WeakPolarHBondContact O-CB 3.43Å; C96-V100 VanDerWaalsContact O-CG2 3.24Å; C96-V100 WeakPolarHBondContact O-CG2 3.46Å; C96-V100 PolarHBondContact O-N 3.15Å; L97-V100 PolarHBondContact O-N 3.26Å; V100-L103 CarbonylContact O-C 3.5Å; V100-L103 WeakPolarHBondContact O-CB 3.49Å; V100-L103 PolarHBondContact O-N 3.31Å; V100-L103 VanDerWaalsContact O-N 3.13Å; V100-C104 PolarHBondContact O-N 3.16Å; V100-C104 PolarHBondContact O-SG 3.35Å |
| 101 | L | 74.2 | Confident | 68.5 | Low | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66 | -41.1 | 177.5 | -76.8 | 169.6 | 0 | 0 | 0 | 112.4 | L88 L97 L103 C104 L105 L126 L129 L138 I141 V142 I145 | L88-L101 HydrophobicContact CD2-CD2 3.73Å; L88-L101 HydrophobicContact CD2-CG 4.05Å; L97-L101 HydrophobicContact CD1-CD1 4.14Å; L97-L101 HydrophobicContact CD1-CG 4.39Å; L97-L101 HydrophobicContact CG-CD1 4.01Å; L97-L101 WeakPolarHBondContact O-CB 3.48Å; L97-L101 WeakPolarHBondContact O-CG 3.43Å; L97-L101 PolarHBondContact O-N 3.31Å; L101-L103 PolarHBondContact O-N 3.19Å; L101-C104 PolarHBondContact O-N 3.15Å; L101-L105 VanDerWaalsContact O-CB 3.3Å; L101-L105 WeakPolarHBondContact O-CB 3.34Å; L101-L105 PolarHBondContact O-N 3.07Å; L101-L126 HydrophobicContact CD2-CD1 3.69Å; L101-L129 HydrophobicContact CD1-CD1 4.45Å; L101-L138 HydrophobicContact CD1-CD2 3.36Å; L101-L138 HydrophobicContact CD1-CG 3.66Å; L101-I141 HydrophobicContact CB-CG2 3.75Å; L101-I141 WeakPolarHBondContact O-CG2 3.5Å; L101-V142 HydrophobicContact CD1-CG2 4.49Å; L101-V142 HydrophobicContact CD2-CG2 4.18Å; L101-I145 HydrophobicContact CD2-CD1 4Å |
| 102 | R | 67.8 | Low | 68.5 | Low | 98 Ų | 98 | 57.1 Ų | 57.1 | 37% | 0.37 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.4 | -32.4 | 171 | -76.4 | 175.5 | 174.4 | 157.3 | -0.2 | 112 | Q98 A99 R106 E137 I141 Y768 | Q98-R102 VanDerWaalsContact NE2-NH2 3.17Å; Q98-R102 WeakPolarHBondContact O-CB 3.49Å; Q98-R102 VanDerWaalsContact O-CG 3.32Å; Q98-R102 WeakPolarHBondContact O-CG 3.47Å; Q98-R102 PolarHBondContact O-N 3.01Å; A99-R102 PolarHBondContact O-N 3.46Å; R102-R106 WeakPolarHBondContact O-CG 3.38Å; R102-R106 PolarHBondContact O-N 3.37Å; R102-E137 IonicContact NH2-OE2 3.55Å; R102-I141 HydrophobicContact CG-CD1 3.88Å; R102-Y768 PolarHBondContact NH2-OH 2.93Å |
| 103 | L | 70.2 | Confident | 68.6 | Low | 56 Ų | 56 | 56.7 Ų | 56.7 | 29% | 0.293 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -75.6 | -44.1 | 176.1 | -171.7 | 56.7 | 0 | 0 | 0 | 112.2 | A99 V100 L101 L105 R106 F107 | A99-L103 WeakPolarHBondContact O-CB 3.43Å; A99-L103 PolarHBondContact O-N 3.01Å; V100-L103 CarbonylContact O-C 3.5Å; V100-L103 WeakPolarHBondContact O-CB 3.49Å; V100-L103 PolarHBondContact O-N 3.31Å; V100-L103 VanDerWaalsContact O-N 3.13Å; L101-L103 PolarHBondContact O-N 3.19Å; L103-L105 VanDerWaalsContact C-N 3.27Å; L103-L105 PolarHBondContact O-N 3.47Å; L103-R106 PolarHBondContact O-N 2.87Å; L103-R106 VanDerWaalsContact O-N 3.12Å; L103-F107 HydrophobicContact CD1-CE1 4.04Å; L103-F107 HydrophobicContact CD1-CE2 3.91Å; L103-F107 HydrophobicContact CD1-CZ 3.57Å; L103-F107 HydrophobicContact CD2-CE2 4.15Å; L103-F107 HydrophobicContact CD2-CZ 4.27Å; L103-F107 HydrophobicContact CG-CD2 4.26Å; L103-F107 HydrophobicContact CG-CE2 3.59Å; L103-F107 HydrophobicContact CG-CZ 3.78Å; L103-F107 PolarHBondContact O-N 3.42Å |
| 104 | C | 74.3 | Confident | 68.8 | Low | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.2 | -40.8 | 170 | -67.4 | 0 | 0 | 0 | 0 | 112 | V100 L101 F107 T108 F117 I145 | V100-C104 PolarHBondContact O-N 3.16Å; V100-C104 PolarHBondContact O-SG 3.35Å; L101-C104 PolarHBondContact O-N 3.15Å; C104-F107 PolarHBondContact O-N 3.24Å; C104-T108 WeakPolarHBondContact O-CB 3.33Å; C104-T108 WeakPolarHBondContact O-CG2 3.42Å; C104-T108 PolarHBondContact O-N 3.32Å; C104-T108 PolarHBondContact O-OG1 3.28Å; C104-F117 HydrophobicContact CB-CE2 4.19Å; C104-I145 HydrophobicContact CB-CD1 3.77Å |
| 105 | L | 72.6 | Confident | 69.1 | Low | 11 Ų | 11 | 50 Ų | 50 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.8 | -39 | 176.2 | -177 | 68.2 | 0 | 0 | 0 | 112.3 | L101 L103 T108 R109 I141 L144 I145 H148 M770 | L101-L105 VanDerWaalsContact O-CB 3.3Å; L101-L105 WeakPolarHBondContact O-CB 3.34Å; L101-L105 PolarHBondContact O-N 3.07Å; L103-L105 VanDerWaalsContact C-N 3.27Å; L103-L105 PolarHBondContact O-N 3.47Å; L105-T108 PolarHBondContact O-OG1 3.4Å; L105-R109 WeakPolarHBondContact O-CG 3.15Å; L105-I141 HydrophobicContact CB-CG2 4.04Å; L105-I141 HydrophobicContact CD2-CG1 4.22Å; L105-I141 HydrophobicContact CD2-CG2 4.13Å; L105-L144 HydrophobicContact CD1-CB 3.41Å; L105-L144 VanDerWaalsContact CD1-CB 3.41Å; L105-L144 HydrophobicContact CD1-CD1 4.32Å; L105-L144 HydrophobicContact CD2-CD1 4.48Å; L105-I145 HydrophobicContact CB-CD1 4.37Å; L105-I145 HydrophobicContact CB-CG1 4.13Å; L105-I145 HydrophobicContact CD1-CG1 4.01Å; L105-H148 VanDerWaalsContact CD1-CE1 3.49Å; L105-H148 WeakPolarHBondContact CD1-CE1 3.33Å; L105-M770 HydrophobicContact CD2-CE 3.53Å; L105-M770 HydrophobicContact CD2-SD 4.49Å; L105-M770 HydrophobicContact CG-CE 3.95Å |
| 106 | R | 66.1 | Low | 69.5 | Low | 169 Ų | 169 | 44.5 Ų | 44.5 | 64% | 0.638 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -69 | -38.2 | 174.4 | -76.9 | -178.8 | 174.8 | -169.4 | -1.3 | 112.4 | R102 L103 | R102-R106 WeakPolarHBondContact O-CG 3.38Å; R102-R106 PolarHBondContact O-N 3.37Å; L103-R106 PolarHBondContact O-N 2.87Å; L103-R106 VanDerWaalsContact O-N 3.12Å |
| 107 | F | 70.3 | Confident | 70 | Confident | 11 Ų | 11 | 41.7 Ų | 41.7 | 5% | 0.048 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.3 | -52.3 | 176.6 | -64.7 | -34.5 | 0 | 0 | 0 | 112.4 | L71 F77 L80 L103 C104 R109 N110 L113 | L71-F107 HydrophobicContact CD2-CD1 4.23Å; L71-F107 HydrophobicContact CD2-CE1 4.01Å; F77-F107 HydrophobicContact CD2-CD1 4.36Å; F77-F107 HydrophobicContact CE2-CB 4.33Å; F77-F107 HydrophobicContact CE2-CD1 4.33Å; F77-F107 HydrophobicContact CE2-CG 4.16Å; L80-F107 HydrophobicContact CB-CE2 3.85Å; L80-F107 HydrophobicContact CB-CZ 3.65Å; L80-F107 HydrophobicContact CD1-CZ 4.04Å; L80-F107 HydrophobicContact CG-CZ 4.33Å; L103-F107 HydrophobicContact CD1-CE1 4.04Å; L103-F107 HydrophobicContact CD1-CE2 3.91Å; L103-F107 HydrophobicContact CD1-CZ 3.57Å; L103-F107 HydrophobicContact CD2-CE2 4.15Å; L103-F107 HydrophobicContact CD2-CZ 4.27Å; L103-F107 HydrophobicContact CG-CD2 4.26Å; L103-F107 HydrophobicContact CG-CE2 3.59Å; L103-F107 HydrophobicContact CG-CZ 3.78Å; L103-F107 PolarHBondContact O-N 3.42Å; C104-F107 PolarHBondContact O-N 3.24Å; F107-R109 PolarHBondContact O-N 2.98Å; F107-N110 PolarHBondContact O-N 3.1Å; F107-L113 HydrophobicContact CB-CB 4.31Å; F107-L113 HydrophobicContact CB-CD1 4.41Å; F107-L113 HydrophobicContact CD1-CD1 4.37Å; F107-L113 WeakPolarHBondContact O-CB 3.35Å |
| 108 | T | 74.3 | Confident | 70.2 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.018 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.9 | -19.7 | -174.2 | 48.7 | 0 | 0 | 0 | 0 | 114.6 | C104 L105 N110 F117 I145 H148 L149 | C104-T108 WeakPolarHBondContact O-CB 3.33Å; C104-T108 WeakPolarHBondContact O-CG2 3.42Å; C104-T108 PolarHBondContact O-N 3.32Å; C104-T108 PolarHBondContact O-OG1 3.28Å; L105-T108 PolarHBondContact O-OG1 3.4Å; T108-N110 PolarHBondContact O-N 2.98Å; T108-N110 VanDerWaalsContact O-N 3.1Å; T108-F117 HydrophobicContact CG2-CB 4.24Å; T108-F117 HydrophobicContact CG2-CD1 4.02Å; T108-F117 HydrophobicContact CG2-CG 4.1Å; T108-I145 HydrophobicContact CG2-CG2 4.35Å; T108-H148 WeakPolarHBondContact O-CB 3.12Å; T108-H148 PolarHBondContact OG1-ND1 3.49Å; T108-L149 HydrophobicContact CG2-CD2 4.31Å |
| 109 | R | 68.8 | Low | 70.4 | Confident | 131 Ų | 131 | 44.7 Ų | 44.7 | 49% | 0.494 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -19.5 | 170.4 | -80.3 | 178.9 | 149.8 | -148.3 | -17 | 115.4 | L105 F107 H148 M770 | L105-R109 WeakPolarHBondContact O-CG 3.15Å; F107-R109 PolarHBondContact O-N 2.98Å; R109-H148 WeakPolarHBondContact CG-CE1 3.18Å; R109-H148 WeakPolarHBondContact CG-NE2 3.39Å; R109-M770 PolarHBondContact NH2-O 3.46Å; R109-M770 PolarHBondContact NH2-SD 3.04Å |
| 110 | N | 66.7 | Low | 70.7 | Confident | 78 Ų | 78 | 45.4 Ų | 45.4 | 42% | 0.417 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -112.1 | 121.8 | 176.8 | 170.1 | -17 | 0 | 0 | 0 | 109.5 | F107 T108 S112 L113 A114 | F107-N110 PolarHBondContact O-N 3.1Å; T108-N110 PolarHBondContact O-N 2.98Å; T108-N110 VanDerWaalsContact O-N 3.1Å; N110-S112 VanDerWaalsContact C-N 3.27Å; N110-S112 PolarHBondContact O-N 2.88Å; N110-S112 VanDerWaalsContact O-N 3.12Å; N110-S112 PolarHBondContact OD1-N 2.87Å; N110-S112 PolarHBondContact OD1-OG 3.48Å; N110-L113 HydrophobicContact CB-CB 4.44Å; N110-L113 HydrophobicContact CB-CD1 3.82Å; N110-L113 HydrophobicContact CB-CG 3.74Å; N110-L113 WeakPolarHBondContact O-CA 3.42Å; N110-L113 WeakPolarHBondContact O-CB 3.24Å; N110-L113 PolarHBondContact O-N 3.34Å; N110-A114 PolarHBondContact O-N 2.97Å |
| 111 | H | 68.1 | Low | 70.8 | Confident | 100 Ų | 100 | 45.7 Ų | 45.7 | 46% | 0.463 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -38.2 | -51 | 177.7 | 158.7 | 76.8 | 0 | 0 | 0 | 113.9 | L113 A114 L115 D152 | H111-L113 PolarHBondContact O-N 3.25Å; H111-L113 VanDerWaalsContact O-N 3.15Å; H111-A114 PolarHBondContact O-N 3.44Å; H111-L115 PolarHBondContact O-N 3.29Å; H111-L115 VanDerWaalsContact O-N 3.08Å; H111-D152 IonicContact CE1-OD2 2.8Å; H111-D152 IonicContact CG-OD2 2.73Å; H111-D152 IonicContact ND1-OD1 2.7Å; H111-D152 IonicContact ND1-OD2 3.2Å; H111-D152 PolarHBondContact ND1-OD2 3.03Å |
| 112 | S | 66.2 | Low | 70.7 | Confident | 60 Ų | 60 | 45.7 Ų | 45.7 | 42% | 0.42 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66 | -20.8 | -176.5 | 62.8 | 0 | 0 | 0 | 0 | 113.6 | N110 | N110-S112 VanDerWaalsContact C-N 3.27Å; N110-S112 PolarHBondContact O-N 2.88Å; N110-S112 VanDerWaalsContact O-N 3.12Å; N110-S112 PolarHBondContact OD1-N 2.87Å; N110-S112 PolarHBondContact OD1-OG 3.48Å |
| 113 | L | 67.1 | Low | 71 | Confident | 16 Ų | 16 | 41.8 Ų | 41.8 | 8% | 0.084 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -96.9 | -36.7 | -178.8 | -41.3 | -171.2 | 0 | 0 | 0 | 111.1 | F77 F107 N110 H111 L115 A116 F117 | F77-L113 HydrophobicContact CD1-CD2 3.56Å; F77-L113 HydrophobicContact CD2-CB 4.31Å; F77-L113 HydrophobicContact CD2-CD1 4.04Å; F77-L113 HydrophobicContact CD2-CD2 3.68Å; F77-L113 HydrophobicContact CD2-CG 4.19Å; F77-L113 HydrophobicContact CE1-CB 4.14Å; F77-L113 HydrophobicContact CE1-CD2 3.57Å; F77-L113 HydrophobicContact CE1-CG 4.39Å; F77-L113 HydrophobicContact CE2-CB 3.53Å; F77-L113 HydrophobicContact CE2-CD1 4.01Å; F77-L113 HydrophobicContact CE2-CD2 3.73Å; F77-L113 HydrophobicContact CE2-CG 3.9Å; F77-L113 HydrophobicContact CG-CD2 3.63Å; F77-L113 HydrophobicContact CZ-CB 3.44Å; F77-L113 VanDerWaalsContact CZ-CB 3.44Å; F77-L113 HydrophobicContact CZ-CD2 3.69Å; F77-L113 HydrophobicContact CZ-CG 4.03Å; F107-L113 HydrophobicContact CB-CB 4.31Å; F107-L113 HydrophobicContact CB-CD1 4.41Å; F107-L113 HydrophobicContact CD1-CD1 4.37Å; F107-L113 WeakPolarHBondContact O-CB 3.35Å; N110-L113 HydrophobicContact CB-CB 4.44Å; N110-L113 HydrophobicContact CB-CD1 3.82Å; N110-L113 HydrophobicContact CB-CG 3.74Å; N110-L113 WeakPolarHBondContact O-CA 3.42Å; N110-L113 WeakPolarHBondContact O-CB 3.24Å; N110-L113 PolarHBondContact O-N 3.34Å; H111-L113 PolarHBondContact O-N 3.25Å; H111-L113 VanDerWaalsContact O-N 3.15Å; L113-L115 VanDerWaalsContact C-N 3.34Å; L113-L115 PolarHBondContact O-N 3.44Å; L113-A116 PolarHBondContact O-N 3.13Å; L113-F117 PolarHBondContact O-N 3.24Å |
| 114 | A | 72.2 | Confident | 71 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -53.6 | -49.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N110 H111 A116 F117 V118 L149 | N110-A114 PolarHBondContact O-N 2.97Å; H111-A114 PolarHBondContact O-N 3.44Å; A114-A116 VanDerWaalsContact C-N 3.27Å; A114-A116 PolarHBondContact O-N 3.31Å; A114-F117 PolarHBondContact O-N 3.14Å; A114-V118 WeakPolarHBondContact O-CG2 3.41Å; A114-V118 PolarHBondContact O-N 2.99Å; A114-L149 HydrophobicContact CB-CD2 3.9Å |
| 115 | L | 70.9 | Confident | 70.9 | Confident | 61 Ų | 61 | 47.1 Ų | 47.1 | 32% | 0.319 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.7 | -35.9 | 177.6 | -124.7 | 165.2 | 0 | 0 | 0 | 112.6 | H111 L113 S119 V155 | H111-L115 PolarHBondContact O-N 3.29Å; H111-L115 VanDerWaalsContact O-N 3.08Å; L113-L115 VanDerWaalsContact C-N 3.34Å; L113-L115 PolarHBondContact O-N 3.44Å; L115-S119 VanDerWaalsContact O-CB 3.3Å; L115-S119 WeakPolarHBondContact O-CB 3.48Å; L115-S119 PolarHBondContact O-N 3.15Å; L115-S119 PolarHBondContact O-OG 3.16Å; L115-V155 HydrophobicContact CG-CG2 4.1Å |
| 116 | A | 70.7 | Confident | 71 | Confident | 4 Ų | 4 | 46.9 Ų | 46.9 | 3% | 0.033 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -78 | -32.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F77 F78 L113 A114 S119 S120 | F77-A116 HydrophobicContact CE1-CB 3.52Å; F77-A116 HydrophobicContact CZ-CB 3.69Å; F78-A116 HydrophobicContact CD1-CB 4.14Å; F78-A116 HydrophobicContact CE1-CB 3.67Å; F78-A116 HydrophobicContact CZ-CB 4.34Å; L113-A116 PolarHBondContact O-N 3.13Å; A114-A116 VanDerWaalsContact C-N 3.27Å; A114-A116 PolarHBondContact O-N 3.31Å; A116-S119 CarbonylContact O-C 3.32Å; A116-S119 PolarHBondContact O-N 3.27Å; A116-S120 WeakPolarHBondContact O-CB 3.3Å; A116-S120 PolarHBondContact O-N 2.87Å; A116-S120 PolarHBondContact O-OG 3.03Å |
| 117 | F | 75 | Confident | 71.1 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.4 | -46.4 | 170.6 | 177.8 | -100.8 | 0 | 0 | 0 | 111 | L88 C104 T108 L113 A114 S120 G122 V123 I145 L149 | L88-F117 HydrophobicContact CD1-CE2 3.94Å; L88-F117 HydrophobicContact CD1-CZ 4.07Å; C104-F117 HydrophobicContact CB-CE2 4.19Å; T108-F117 HydrophobicContact CG2-CB 4.24Å; T108-F117 HydrophobicContact CG2-CD1 4.02Å; T108-F117 HydrophobicContact CG2-CG 4.1Å; L113-F117 PolarHBondContact O-N 3.24Å; A114-F117 PolarHBondContact O-N 3.14Å; F117-S120 PolarHBondContact O-N 3.25Å; F117-G122 VanDerWaalsContact CE1-C 3.5Å; F117-G122 VanDerWaalsContact CZ-C 3.46Å; F117-G122 VanDerWaalsContact CZ-O 3.24Å; F117-G122 WeakPolarHBondContact CZ-O 3.38Å; F117-G122 WeakPolarHBondContact O-CA 3.25Å; F117-G122 PolarHBondContact O-N 2.97Å; F117-V123 HydrophobicContact CD1-CG2 4.5Å; F117-V123 HydrophobicContact CE1-CG2 4.31Å; F117-I145 HydrophobicContact CE1-CG2 4.12Å; F117-L149 HydrophobicContact CD1-CD1 4.22Å; F117-L149 HydrophobicContact CD1-CD2 4.47Å; F117-L149 HydrophobicContact CE1-CD1 4.26Å |
| 118 | V | 74 | Confident | 71 | Confident | 14 Ų | 14 | 48.4 Ų | 48.4 | 9% | 0.085 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.1 | -48.7 | 172.4 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | A114 S120 G121 V123 L149 V155 | A114-V118 WeakPolarHBondContact O-CG2 3.41Å; A114-V118 PolarHBondContact O-N 2.99Å; V118-S120 PolarHBondContact O-N 3.21Å; V118-G121 PolarHBondContact O-N 3.35Å; V118-G121 VanDerWaalsContact O-N 3.13Å; V118-V123 HydrophobicContact CG2-CG2 3.85Å; V118-L149 HydrophobicContact CG2-CD1 4.29Å; V118-L149 HydrophobicContact CG2-CD2 3.65Å; V118-V155 HydrophobicContact CG2-CG1 3.97Å |
| 119 | S | 73.6 | Confident | 70.7 | Confident | 84 Ų | 84 | 48.9 Ų | 48.9 | 59% | 0.587 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -9.4 | 178.5 | -56.9 | 0 | 0 | 0 | 0 | 114.6 | L115 A116 | L115-S119 VanDerWaalsContact O-CB 3.3Å; L115-S119 WeakPolarHBondContact O-CB 3.48Å; L115-S119 PolarHBondContact O-N 3.15Å; L115-S119 PolarHBondContact O-OG 3.16Å; A116-S119 CarbonylContact O-C 3.32Å; A116-S119 PolarHBondContact O-N 3.27Å |
| 120 | S | 70.2 | Confident | 70.3 | Confident | 41 Ų | 41 | 50.8 Ų | 50.8 | 29% | 0.287 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | 11.7 | 178.4 | -55.9 | 0 | 0 | 0 | 0 | 113.1 | C85 A116 F117 V118 G122 | C85-S120 VanDerWaalsContact SG-CB 3.57Å; A116-S120 WeakPolarHBondContact O-CB 3.3Å; A116-S120 PolarHBondContact O-N 2.87Å; A116-S120 PolarHBondContact O-OG 3.03Å; F117-S120 PolarHBondContact O-N 3.25Å; V118-S120 PolarHBondContact O-N 3.21Å; S120-G122 VanDerWaalsContact C-N 3.26Å; S120-G122 PolarHBondContact O-N 3.03Å |
| 121 | G | 73 | Confident | 69.7 | Low | 18 Ų | 18 | 49.2 Ų | 49.2 | 19% | 0.186 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 15.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V118 V123 E124 K125 | V118-G121 PolarHBondContact O-N 3.35Å; V118-G121 VanDerWaalsContact O-N 3.13Å; G121-V123 VanDerWaalsContact C-N 3.26Å; G121-V123 PolarHBondContact O-N 3.29Å; G121-E124 PolarHBondContact O-N 3.03Å; G121-K125 PolarHBondContact O-N 3Å |
| 122 | G | 73.3 | Confident | 69 | Low | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.7 | -29.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | C85 F117 S120 L126 | C85-G122 VanDerWaalsContact SG-CA 3.53Å; F117-G122 VanDerWaalsContact CE1-C 3.5Å; F117-G122 VanDerWaalsContact CZ-C 3.46Å; F117-G122 VanDerWaalsContact CZ-O 3.24Å; F117-G122 WeakPolarHBondContact CZ-O 3.38Å; F117-G122 WeakPolarHBondContact O-CA 3.25Å; F117-G122 PolarHBondContact O-N 2.97Å; S120-G122 VanDerWaalsContact C-N 3.26Å; S120-G122 PolarHBondContact O-N 3.03Å; G122-L126 WeakPolarHBondContact O-CB 3.41Å; G122-L126 PolarHBondContact O-N 2.63Å; G122-L126 VanDerWaalsContact O-N 3.1Å |
| 123 | V | 73.1 | Confident | 68.5 | Low | 15 Ų | 15 | 48.5 Ų | 48.5 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -78.1 | -40.8 | 179.5 | -176 | 0 | 0 | 0 | 0 | 111.9 | F117 V118 G121 L126 L127 L149 L159 V163 | F117-V123 HydrophobicContact CD1-CG2 4.5Å; F117-V123 HydrophobicContact CE1-CG2 4.31Å; V118-V123 HydrophobicContact CG2-CG2 3.85Å; G121-V123 VanDerWaalsContact C-N 3.26Å; G121-V123 PolarHBondContact O-N 3.29Å; V123-L126 WeakPolarHBondContact O-CB 3.41Å; V123-L126 PolarHBondContact O-N 3.45Å; V123-L126 VanDerWaalsContact O-N 3.16Å; V123-L127 HydrophobicContact CG1-CD1 4.2Å; V123-L127 WeakPolarHBondContact O-CG 3.47Å; V123-L127 PolarHBondContact O-N 2.81Å; V123-L127 VanDerWaalsContact O-N 3.1Å; V123-L149 HydrophobicContact CG2-CD1 3.6Å; V123-L159 HydrophobicContact CG1-CD2 4.1Å; V123-L159 HydrophobicContact CG2-CD2 4.28Å; V123-V163 HydrophobicContact CB-CG1 4.44Å; V123-V163 HydrophobicContact CG1-CG1 4.02Å |
| 124 | E | 69.7 | Low | 67.9 | Low | 114 Ų | 114 | 50.7 Ų | 50.7 | 53% | 0.533 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.2 | -52.8 | 174.9 | -64 | 164.1 | 176.4 | 0 | 0 | 109.2 | G121 L126 L127 E128 | G121-E124 PolarHBondContact O-N 3.03Å; E124-L126 VanDerWaalsContact C-N 3.26Å; E124-L126 PolarHBondContact O-N 3.27Å; E124-L127 PolarHBondContact O-N 3.33Å; E124-E128 WeakPolarHBondContact O-CG 3.35Å; E124-E128 PolarHBondContact O-N 3.35Å |
| 125 | K | 72.9 | Confident | 67.2 | Low | 54 Ų | 54 | 56.8 Ų | 56.8 | 24% | 0.235 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.5 | -22.5 | 177.1 | -68.3 | -178.9 | 169.3 | -178.7 | 0 | 114.6 | C85 D86 L88 G121 | C85-K125 WeakPolarHBondContact O-CD 3.42Å; C85-K125 WeakPolarHBondContact O-CE 3.48Å; C85-K125 PolarHBondContact O-NZ 3.11Å; D86-K125 IonicContact OD1-NZ 2.79Å; D86-K125 PolarHBondContact OD1-NZ 3.22Å; L88-K125 HydrophobicContact CB-CB 4.03Å; G121-K125 PolarHBondContact O-N 3Å |
| 126 | L | 73.8 | Confident | 66.4 | Low | 7 Ų | 7 | 60.5 Ų | 60.5 | 4% | 0.037 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -73.7 | -33 | 172.7 | -156.3 | 75.8 | 0 | 0 | 0 | 111.6 | L101 G122 V123 E124 V142 I145 V146 | L101-L126 HydrophobicContact CD2-CD1 3.69Å; G122-L126 WeakPolarHBondContact O-CB 3.41Å; G122-L126 PolarHBondContact O-N 2.63Å; G122-L126 VanDerWaalsContact O-N 3.1Å; V123-L126 WeakPolarHBondContact O-CB 3.41Å; V123-L126 PolarHBondContact O-N 3.45Å; V123-L126 VanDerWaalsContact O-N 3.16Å; E124-L126 VanDerWaalsContact C-N 3.26Å; E124-L126 PolarHBondContact O-N 3.27Å; L126-V142 HydrophobicContact CD1-CG2 4.13Å; L126-V142 HydrophobicContact CD2-CG1 4.05Å; L126-V142 HydrophobicContact CG-CG1 4.18Å; L126-V142 HydrophobicContact CG-CG2 4.42Å; L126-I145 HydrophobicContact CD1-CD1 4.46Å; L126-I145 HydrophobicContact CD2-CB 4.42Å; L126-I145 HydrophobicContact CD2-CG2 3.68Å; L126-V146 HydrophobicContact CD2-CG2 3.87Å |
| 127 | L | 68.3 | Low | 65.9 | Low | 87 Ų | 87 | 63.3 Ų | 63.3 | 46% | 0.455 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -85.4 | -20.7 | 178.4 | -64.5 | 170.2 | 0 | 0 | 0 | 112.8 | V123 E124 L129 F167 | V123-L127 HydrophobicContact CG1-CD1 4.2Å; V123-L127 WeakPolarHBondContact O-CG 3.47Å; V123-L127 PolarHBondContact O-N 2.81Å; V123-L127 VanDerWaalsContact O-N 3.1Å; E124-L127 PolarHBondContact O-N 3.33Å; L127-L129 VanDerWaalsContact C-N 3.31Å; L127-F167 HydrophobicContact CB-CD2 4.46Å; L127-F167 HydrophobicContact CB-CE2 3.61Å; L127-F167 HydrophobicContact CB-CZ 3.88Å; L127-F167 HydrophobicContact CD1-CD2 3.89Å; L127-F167 HydrophobicContact CD1-CE1 4.49Å; L127-F167 HydrophobicContact CD1-CE2 3.79Å; L127-F167 HydrophobicContact CD1-CG 4.29Å; L127-F167 HydrophobicContact CD1-CZ 4.1Å; L127-F167 HydrophobicContact CG-CE2 4.3Å; L127-F167 HydrophobicContact CG-CZ 4.46Å |
| 128 | E | 69.4 | Low | 65.4 | Low | 124 Ų | 124 | 63.1 Ų | 63.1 | 58% | 0.579 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -76 | -12.2 | 172.3 | -73.5 | -178.2 | 164.4 | 0 | 0 | 114.2 | E124 R130 | E124-E128 WeakPolarHBondContact O-CG 3.35Å; E124-E128 PolarHBondContact O-N 3.35Å; E128-R130 PolarHBondContact O-N 2.99Å |
| 129 | L | 67.6 | Low | 64.9 | Low | 14 Ų | 14 | 65.6 Ų | 65.6 | 7% | 0.073 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -65.5 | 126.4 | 176 | -65.6 | 177.5 | 0 | 0 | 0 | 110.2 | L88 L97 L101 L127 F134 | L88-L129 HydrophobicContact CD2-CD1 4.42Å; L97-L129 HydrophobicContact CD1-CD2 4.14Å; L97-L129 HydrophobicContact CD2-CD2 4.41Å; L101-L129 HydrophobicContact CD1-CD1 4.45Å; L127-L129 VanDerWaalsContact C-N 3.31Å; L129-F134 HydrophobicContact CB-CE2 3.69Å; L129-F134 HydrophobicContact CB-CZ 3.9Å; L129-F134 HydrophobicContact CD1-CZ 4.41Å |
| 130 | R | 60.9 | Low | 64.5 | Low | 170 Ų | 170 | 62.8 Ų | 62.8 | 64% | 0.642 | 33% | 0.325 | S | S | * | . | trans | -76.2 | 142.6 | -179.7 | -66.9 | 179.6 | 178.7 | 153.8 | 0.9 | 111 | E128 S132 Q133 F134 | E128-R130 PolarHBondContact O-N 2.99Å; R130-S132 PolarHBondContact O-N 3.28Å; R130-Q133 WeakPolarHBondContact O-CB 3.37Å; R130-Q133 PolarHBondContact O-N 2.8Å; R130-F134 VanDerWaalsContact O-CD2 3.31Å; R130-F134 WeakPolarHBondContact O-CD2 3.5Å | ||
| 131 | A | 54.2 | Low | 64.5 | Low | 46 Ų | 46 | 61.2 Ų | 61.2 | 38% | 0.38 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -50 | -31.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q133 F134 E201 | A131-Q133 PolarHBondContact O-N 3.13Å; A131-F134 PolarHBondContact O-N 2.92Å; A131-E201 WeakPolarHBondContact CB-OE1 3.41Å |
| 132 | S | 52.3 | Low | 64.4 | Low | 105 Ų | 105 | 61 Ų | 61 | 73% | 0.734 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -63.7 | -5.3 | 174.7 | 65.7 | 0 | 0 | 0 | 0 | 115.7 | R130 | R130-S132 PolarHBondContact O-N 3.28Š|
| 133 | Q | 56.3 | Low | 64 | Low | 40 Ų | 40 | 61.9 Ų | 61.9 | 19% | 0.187 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -105.3 | -5.4 | 175.5 | -62.7 | -178.8 | -48 | 0 | 0 | 112.6 | P90 L97 R130 A131 F135 L138 | P90-Q133 PolarHBondContact O-NE2 3.2Å; P90-Q133 VanDerWaalsContact O-NE2 3.09Å; L97-Q133 HydrophobicContact CD2-CB 4.28Å; R130-Q133 WeakPolarHBondContact O-CB 3.37Å; R130-Q133 PolarHBondContact O-N 2.8Å; A131-Q133 PolarHBondContact O-N 3.13Å; Q133-F135 PolarHBondContact O-N 2.94Å; Q133-L138 WeakPolarHBondContact O-CD2 3.04Å |
| 134 | F | 55.2 | Low | 63.8 | Low | 62 Ų | 62 | 61.7 Ų | 61.7 | 27% | 0.272 | 31% | 0.313 | S | S | . | . | trans | -92.4 | 99.1 | -176.7 | -71.2 | -106.4 | 0 | 0 | 0 | 111.8 | L129 R130 A131 L138 V142 | L129-F134 HydrophobicContact CB-CE2 3.69Å; L129-F134 HydrophobicContact CB-CZ 3.9Å; L129-F134 HydrophobicContact CD1-CZ 4.41Å; R130-F134 VanDerWaalsContact O-CD2 3.31Å; R130-F134 WeakPolarHBondContact O-CD2 3.5Å; A131-F134 PolarHBondContact O-N 2.92Å; F134-L138 HydrophobicContact CD1-CB 4.06Å; F134-L138 HydrophobicContact CG-CB 4.48Å; F134-V142 HydrophobicContact CE1-CB 4.2Å; F134-V142 HydrophobicContact CE1-CG1 4.29Å; F134-V142 HydrophobicContact CE1-CG2 3.87Å | ||
| 135 | F | 56.8 | Low | 64 | Low | 129 Ų | 129 | 56.2 Ų | 56.2 | 57% | 0.566 | 29% | 0.287 | S | S | * | . | trans | -76.7 | 160.4 | 155.2 | -56.6 | -77.5 | 0 | 0 | 0 | 109.8 | Q133 E137 L138 T139 | Q133-F135 PolarHBondContact O-N 2.94Å; F135-E137 PolarHBondContact O-N 3.47Å; F135-L138 WeakPolarHBondContact O-CB 3.39Å; F135-L138 PolarHBondContact O-N 3.18Å; F135-T139 PolarHBondContact O-N 3.29Å | ||
| 136 | N | 55 | Low | 63.9 | Low | 138 Ų | 138 | 55 Ų | 55 | 74% | 0.738 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -51.2 | -36.3 | -173.5 | -75.2 | -17.9 | 0 | 0 | 0 | 114.1 | T139 I140 | N136-T139 PolarHBondContact O-N 2.85Å; N136-I140 PolarHBondContact O-N 3.35Å |
| 137 | E | 59.1 | Low | 63.5 | Low | 63 Ų | 63 | 59.2 Ų | 59.2 | 29% | 0.294 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.6 | -36.4 | 176.8 | -55.7 | -154.4 | 114.6 | 0 | 0 | 113.4 | Q98 R102 F135 T139 I140 I141 Y768 | Q98-E137 PolarHBondContact NE2-OE2 3.09Å; R102-E137 IonicContact NH2-OE2 3.55Å; F135-E137 PolarHBondContact O-N 3.47Å; E137-T139 VanDerWaalsContact C-N 3.35Å; E137-T139 PolarHBondContact O-N 2.87Å; E137-I140 PolarHBondContact O-N 3.3Å; E137-I141 WeakPolarHBondContact O-CD1 3.34Å; E137-I141 VanDerWaalsContact O-CG1 3.26Å; E137-I141 WeakPolarHBondContact O-CG1 3.43Å; E137-I141 PolarHBondContact O-N 3.04Å; E137-Y768 WeakPolarHBondContact OE1-CE2 3.48Å; E137-Y768 PolarHBondContact OE1-OH 3.14Å; E137-Y768 PolarHBondContact OE2-OH 3.12Å |
| 138 | L | 64.4 | Low | 63.7 | Low | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 176.5 | -103.6 | 95.9 | 0 | 0 | 0 | 110.8 | L97 Q98 L101 Q133 F134 F135 I140 I141 V142 | L97-L138 HydrophobicContact CD2-CD2 4.01Å; L97-L138 HydrophobicContact CG-CD2 4.34Å; Q98-L138 HydrophobicContact CB-CD1 4.5Å; L101-L138 HydrophobicContact CD1-CD2 3.36Å; L101-L138 HydrophobicContact CD1-CG 3.66Å; Q133-L138 WeakPolarHBondContact O-CD2 3.04Å; F134-L138 HydrophobicContact CD1-CB 4.06Å; F134-L138 HydrophobicContact CG-CB 4.48Å; F135-L138 WeakPolarHBondContact O-CB 3.39Å; F135-L138 PolarHBondContact O-N 3.18Å; L138-I140 VanDerWaalsContact C-N 3.28Å; L138-I140 PolarHBondContact O-N 3.23Å; L138-I141 PolarHBondContact O-N 2.91Å; L138-V142 WeakPolarHBondContact O-CB 3.22Å; L138-V142 WeakPolarHBondContact O-CG2 3.41Å; L138-V142 PolarHBondContact O-N 3.12Å |
| 139 | T | 63.2 | Low | 63.7 | Low | 65 Ų | 65 | 50.7 Ų | 50.7 | 40% | 0.399 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.1 | -38 | 179.7 | -50.8 | 0 | 0 | 0 | 0 | 111.8 | F135 N136 E137 S143 | F135-T139 PolarHBondContact O-N 3.29Å; N136-T139 PolarHBondContact O-N 2.85Å; E137-T139 VanDerWaalsContact C-N 3.35Å; E137-T139 PolarHBondContact O-N 2.87Å; T139-S143 WeakPolarHBondContact O-CB 3.15Å; T139-S143 PolarHBondContact O-N 2.62Å; T139-S143 PolarHBondContact O-OG 2.93Å |
| 140 | I | 65.7 | Low | 63.7 | Low | 25 Ų | 25 | 50.5 Ų | 50.5 | 13% | 0.128 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.7 | -43.9 | 174.9 | -63.2 | 170.7 | 0 | 0 | 0 | 110.8 | N136 E137 L138 V142 S143 L144 M761 | N136-I140 PolarHBondContact O-N 3.35Å; E137-I140 PolarHBondContact O-N 3.3Å; L138-I140 VanDerWaalsContact C-N 3.28Å; L138-I140 PolarHBondContact O-N 3.23Å; I140-V142 VanDerWaalsContact C-N 3.35Å; I140-V142 PolarHBondContact O-N 2.76Å; I140-S143 PolarHBondContact O-N 3.43Å; I140-S143 PolarHBondContact O-OG 2.59Å; I140-S143 VanDerWaalsContact O-OG 3.06Å; I140-L144 HydrophobicContact CG2-CD1 3.91Å; I140-L144 HydrophobicContact CG2-CG 4.47Å; I140-L144 WeakPolarHBondContact O-CB 3.47Å; I140-L144 VanDerWaalsContact O-CG 3.24Å; I140-L144 WeakPolarHBondContact O-CG 3.26Å; I140-L144 PolarHBondContact O-N 3.04Å; I140-M761 HydrophobicContact CG2-CG 4.42Å |
| 141 | I | 69.7 | Low | 63.9 | Low | 9 Ų | 9 | 46 Ų | 46 | 5% | 0.046 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63 | -42.9 | 178.1 | -66.8 | 161.5 | 0 | 0 | 0 | 110.9 | Q98 L101 R102 L105 E137 L138 L144 I145 | Q98-I141 HydrophobicContact CG-CD1 4.49Å; L101-I141 HydrophobicContact CB-CG2 3.75Å; L101-I141 WeakPolarHBondContact O-CG2 3.5Å; R102-I141 HydrophobicContact CG-CD1 3.88Å; L105-I141 HydrophobicContact CB-CG2 4.04Å; L105-I141 HydrophobicContact CD2-CG1 4.22Å; L105-I141 HydrophobicContact CD2-CG2 4.13Å; E137-I141 WeakPolarHBondContact O-CD1 3.34Å; E137-I141 VanDerWaalsContact O-CG1 3.26Å; E137-I141 WeakPolarHBondContact O-CG1 3.43Å; E137-I141 PolarHBondContact O-N 3.04Å; L138-I141 PolarHBondContact O-N 2.91Å; I141-L144 PolarHBondContact O-N 3.13Å; I141-I145 HydrophobicContact CG2-CD1 3.86Å; I141-I145 VanDerWaalsContact O-CG1 3.31Å; I141-I145 WeakPolarHBondContact O-CG1 3.29Å; I141-I145 PolarHBondContact O-N 3.46Å |
| 142 | V | 71.9 | Confident | 64.4 | Low | 14 Ų | 14 | 45.6 Ų | 45.6 | 9% | 0.085 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68 | -41.7 | 178.3 | 168.8 | 0 | 0 | 0 | 0 | 111.6 | L101 L126 F134 L138 I140 L144 I145 V146 | L101-V142 HydrophobicContact CD1-CG2 4.49Å; L101-V142 HydrophobicContact CD2-CG2 4.18Å; L126-V142 HydrophobicContact CD1-CG2 4.13Å; L126-V142 HydrophobicContact CD2-CG1 4.05Å; L126-V142 HydrophobicContact CG-CG1 4.18Å; L126-V142 HydrophobicContact CG-CG2 4.42Å; F134-V142 HydrophobicContact CE1-CB 4.2Å; F134-V142 HydrophobicContact CE1-CG1 4.29Å; F134-V142 HydrophobicContact CE1-CG2 3.87Å; L138-V142 WeakPolarHBondContact O-CB 3.22Å; L138-V142 WeakPolarHBondContact O-CG2 3.41Å; L138-V142 PolarHBondContact O-N 3.12Å; I140-V142 VanDerWaalsContact C-N 3.35Å; I140-V142 PolarHBondContact O-N 2.76Å; V142-L144 VanDerWaalsContact C-N 3.32Å; V142-L144 PolarHBondContact O-N 3.28Å; V142-I145 PolarHBondContact O-N 3.18Å; V142-V146 HydrophobicContact CG1-CG2 4.47Å; V142-V146 WeakPolarHBondContact O-CB 3.45Å; V142-V146 WeakPolarHBondContact O-CG2 3.4Å; V142-V146 PolarHBondContact O-N 3.3Å |
| 143 | S | 64.7 | Low | 64.8 | Low | 17 Ų | 17 | 42.7 Ų | 42.7 | 12% | 0.119 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.9 | -35.8 | 176.3 | 74.2 | 0 | 0 | 0 | 0 | 112.3 | T139 I140 R147 | T139-S143 WeakPolarHBondContact O-CB 3.15Å; T139-S143 PolarHBondContact O-N 2.62Å; T139-S143 PolarHBondContact O-OG 2.93Å; I140-S143 PolarHBondContact O-N 3.43Å; I140-S143 PolarHBondContact O-OG 2.59Å; I140-S143 VanDerWaalsContact O-OG 3.06Å; S143-R147 VanDerWaalsContact O-CB 3.24Å; S143-R147 WeakPolarHBondContact O-CB 3.43Å; S143-R147 PolarHBondContact O-N 3.2Å |
| 144 | L | 68.7 | Low | 65.2 | Low | 11 Ų | 11 | 44 Ų | 44 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -71.9 | -38.6 | 174.6 | -67.8 | 170.1 | 0 | 0 | 0 | 112.7 | L105 I140 I141 V142 R147 H148 L765 M770 | L105-L144 HydrophobicContact CD1-CB 3.41Å; L105-L144 VanDerWaalsContact CD1-CB 3.41Å; L105-L144 HydrophobicContact CD1-CD1 4.32Å; L105-L144 HydrophobicContact CD2-CD1 4.48Å; I140-L144 HydrophobicContact CG2-CD1 3.91Å; I140-L144 HydrophobicContact CG2-CG 4.47Å; I140-L144 WeakPolarHBondContact O-CB 3.47Å; I140-L144 VanDerWaalsContact O-CG 3.24Å; I140-L144 WeakPolarHBondContact O-CG 3.26Å; I140-L144 PolarHBondContact O-N 3.04Å; I141-L144 PolarHBondContact O-N 3.13Å; V142-L144 VanDerWaalsContact C-N 3.32Å; V142-L144 PolarHBondContact O-N 3.28Å; L144-R147 PolarHBondContact O-N 2.89Å; L144-H148 PolarHBondContact O-N 3.44Å; L144-H148 PolarHBondContact O-ND1 3.33Å; L144-L765 HydrophobicContact CD1-CD2 3.76Å; L144-L765 HydrophobicContact CD1-CG 4.49Å; L144-L765 HydrophobicContact CD2-CD1 4.47Å; L144-L765 HydrophobicContact CD2-CD2 4.08Å; L144-M770 HydrophobicContact CD1-SD 4.47Å |
| 145 | I | 73.1 | Confident | 65.6 | Low | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.7 | -52.5 | 170.5 | -74.8 | 165.1 | 0 | 0 | 0 | 109.9 | L101 C104 L105 T108 F117 L126 I141 V142 R147 H148 L149 | L101-I145 HydrophobicContact CD2-CD1 4Å; C104-I145 HydrophobicContact CB-CD1 3.77Å; L105-I145 HydrophobicContact CB-CD1 4.37Å; L105-I145 HydrophobicContact CB-CG1 4.13Å; L105-I145 HydrophobicContact CD1-CG1 4.01Å; T108-I145 HydrophobicContact CG2-CG2 4.35Å; F117-I145 HydrophobicContact CE1-CG2 4.12Å; L126-I145 HydrophobicContact CD1-CD1 4.46Å; L126-I145 HydrophobicContact CD2-CB 4.42Å; L126-I145 HydrophobicContact CD2-CG2 3.68Å; I141-I145 HydrophobicContact CG2-CD1 3.86Å; I141-I145 VanDerWaalsContact O-CG1 3.31Å; I141-I145 WeakPolarHBondContact O-CG1 3.29Å; I141-I145 PolarHBondContact O-N 3.46Å; V142-I145 PolarHBondContact O-N 3.18Å; I145-R147 VanDerWaalsContact C-N 3.28Å; I145-R147 PolarHBondContact O-N 3.07Å; I145-H148 PolarHBondContact O-N 3.45Å; I145-L149 HydrophobicContact CG2-CD1 4.29Å; I145-L149 WeakPolarHBondContact O-CG 3.42Å; I145-L149 PolarHBondContact O-N 3.41Å; I145-L149 VanDerWaalsContact O-N 3.16Å |
| 146 | V | 71.2 | Confident | 66 | Low | 29 Ų | 29 | 35.6 Ų | 35.6 | 18% | 0.176 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.9 | -38.7 | 178.3 | 168.9 | 0 | 0 | 0 | 0 | 111.2 | L126 V142 L149 L150 | L126-V146 HydrophobicContact CD2-CG2 3.87Å; V142-V146 HydrophobicContact CG1-CG2 4.47Å; V142-V146 WeakPolarHBondContact O-CB 3.45Å; V142-V146 WeakPolarHBondContact O-CG2 3.4Å; V142-V146 PolarHBondContact O-N 3.3Å; V146-L149 PolarHBondContact O-N 3.3Å; V146-L150 HydrophobicContact CG1-CD1 3.59Å; V146-L150 HydrophobicContact CG1-CG 4.26Å; V146-L150 WeakPolarHBondContact O-CB 3.41Å; V146-L150 VanDerWaalsContact O-CG 3.31Å; V146-L150 WeakPolarHBondContact O-CG 3.49Å; V146-L150 PolarHBondContact O-N 3.45Å |
| 147 | R | 66.9 | Low | 66.4 | Low | 95 Ų | 95 | 33.8 Ų | 33.8 | 36% | 0.358 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.5 | -49.2 | 173.3 | 177.3 | -178.3 | 165 | 172.5 | -1.6 | 112.4 | S143 L144 I145 L149 L150 E151 | S143-R147 VanDerWaalsContact O-CB 3.24Å; S143-R147 WeakPolarHBondContact O-CB 3.43Å; S143-R147 PolarHBondContact O-N 3.2Å; L144-R147 PolarHBondContact O-N 2.89Å; I145-R147 VanDerWaalsContact C-N 3.28Å; I145-R147 PolarHBondContact O-N 3.07Å; R147-L149 PolarHBondContact O-N 2.95Å; R147-L149 VanDerWaalsContact O-N 3.15Å; R147-L150 PolarHBondContact O-N 3.04Å; R147-E151 HydrophobicContact CG-CG 3.96Å; R147-E151 IonicContact CZ-OE1 2.72Å; R147-E151 VanDerWaalsContact NE-CD 3.32Å; R147-E151 IonicContact NE-OE1 3.88Å; R147-E151 PolarHBondContact NE-OE1 2.8Å; R147-E151 IonicContact NE-OE2 3.24Å; R147-E151 IonicContact NH2-OE1 2.89Å; R147-E151 PolarHBondContact NH2-OE1 3.15Å; R147-E151 WeakPolarHBondContact O-CB 3.47Å; R147-E151 WeakPolarHBondContact O-CG 3.47Å; R147-E151 PolarHBondContact O-N 3.07Å |
| 148 | H | 71.2 | Confident | 66.8 | Low | 28 Ų | 28 | 33.5 Ų | 33.5 | 13% | 0.13 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58 | -29.9 | 177.6 | -60.5 | 151.2 | 0 | 0 | 0 | 112.4 | L105 T108 R109 L144 I145 | L105-H148 VanDerWaalsContact CD1-CE1 3.49Å; L105-H148 WeakPolarHBondContact CD1-CE1 3.33Å; T108-H148 WeakPolarHBondContact O-CB 3.12Å; T108-H148 PolarHBondContact OG1-ND1 3.49Å; R109-H148 WeakPolarHBondContact CG-CE1 3.18Å; R109-H148 WeakPolarHBondContact CG-NE2 3.39Å; L144-H148 PolarHBondContact O-N 3.44Å; L144-H148 PolarHBondContact O-ND1 3.33Å; I145-H148 PolarHBondContact O-N 3.45Å |
| 149 | L | 70.5 | Confident | 66.6 | Low | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -80.2 | -30.2 | 175.8 | -60 | 176.7 | 0 | 0 | 0 | 113.4 | T108 A114 F117 V118 V123 I145 V146 R147 V155 L159 | T108-L149 HydrophobicContact CG2-CD2 4.31Å; A114-L149 HydrophobicContact CB-CD2 3.9Å; F117-L149 HydrophobicContact CD1-CD1 4.22Å; F117-L149 HydrophobicContact CD1-CD2 4.47Å; F117-L149 HydrophobicContact CE1-CD1 4.26Å; V118-L149 HydrophobicContact CG2-CD1 4.29Å; V118-L149 HydrophobicContact CG2-CD2 3.65Å; V123-L149 HydrophobicContact CG2-CD1 3.6Å; I145-L149 HydrophobicContact CG2-CD1 4.29Å; I145-L149 WeakPolarHBondContact O-CG 3.42Å; I145-L149 PolarHBondContact O-N 3.41Å; I145-L149 VanDerWaalsContact O-N 3.16Å; V146-L149 PolarHBondContact O-N 3.3Å; R147-L149 PolarHBondContact O-N 2.95Å; R147-L149 VanDerWaalsContact O-N 3.15Å; L149-V155 HydrophobicContact CB-CG1 4.05Å; L149-V155 HydrophobicContact CD2-CG1 4.13Å; L149-V155 WeakPolarHBondContact O-CB 3.43Å; L149-V155 WeakPolarHBondContact O-CG1 3.41Å; L149-L159 HydrophobicContact CB-CD1 4.1Å |
| 150 | L | 66.8 | Low | 66.5 | Low | 11 Ų | 11 | 33.7 Ų | 33.7 | 6% | 0.058 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -93.3 | -14.5 | -179 | -66.8 | 173.3 | 0 | 0 | 0 | 114.2 | V146 R147 D152 L156 L159 M160 | V146-L150 HydrophobicContact CG1-CD1 3.59Å; V146-L150 HydrophobicContact CG1-CG 4.26Å; V146-L150 WeakPolarHBondContact O-CB 3.41Å; V146-L150 VanDerWaalsContact O-CG 3.31Å; V146-L150 WeakPolarHBondContact O-CG 3.49Å; V146-L150 PolarHBondContact O-N 3.45Å; R147-L150 PolarHBondContact O-N 3.04Å; L150-D152 VanDerWaalsContact C-N 3.32Å; L150-L156 HydrophobicContact CD2-CD1 3.5Å; L150-L159 HydrophobicContact CD2-CD1 3.73Å; L150-L159 HydrophobicContact CG-CD1 4.42Å; L150-M160 HydrophobicContact CD2-CE 4.41Å |
| 151 | E | 65.2 | Low | 66.4 | Low | 74 Ų | 74 | 39.9 Ų | 39.9 | 35% | 0.346 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -72.7 | -24.4 | 173.7 | -80.9 | -179.8 | 142.2 | 0 | 0 | 112.8 | R147 | R147-E151 HydrophobicContact CG-CG 3.96Å; R147-E151 IonicContact CZ-OE1 2.72Å; R147-E151 VanDerWaalsContact NE-CD 3.32Å; R147-E151 IonicContact NE-OE1 3.88Å; R147-E151 PolarHBondContact NE-OE1 2.8Å; R147-E151 IonicContact NE-OE2 3.24Å; R147-E151 IonicContact NH2-OE1 2.89Å; R147-E151 PolarHBondContact NH2-OE1 3.15Å; R147-E151 WeakPolarHBondContact O-CB 3.47Å; R147-E151 WeakPolarHBondContact O-CG 3.47Å; R147-E151 PolarHBondContact O-N 3.07Å |
| 152 | D | 64.2 | Low | 66 | Low | 39 Ų | 39 | 44.7 Ų | 44.7 | 21% | 0.209 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -100.7 | 115 | -174 | -174.7 | 30.8 | 0 | 0 | 0 | 112 | H111 L150 P154 V155 L156 | H111-D152 IonicContact CE1-OD2 2.8Å; H111-D152 IonicContact CG-OD2 2.73Å; H111-D152 IonicContact ND1-OD1 2.7Å; H111-D152 IonicContact ND1-OD2 3.2Å; H111-D152 PolarHBondContact ND1-OD2 3.03Å; L150-D152 VanDerWaalsContact C-N 3.32Å; D152-P154 WeakPolarHBondContact OD1-CD 3.35Å; D152-V155 HydrophobicContact CB-CB 4.27Å; D152-V155 HydrophobicContact CB-CG2 4.24Å; D152-V155 PolarHBondContact O-N 2.9Å; D152-V155 VanDerWaalsContact OD2-CG2 3.32Å; D152-V155 WeakPolarHBondContact OD2-CG2 3.5Å; D152-L156 PolarHBondContact O-N 3.48Å |
| 153 | A | 60.8 | Low | 65.4 | Low | 44 Ų | 44 | 45 Ų | 45 | 36% | 0.364 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -51.7 | -51.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | V155 L156 D157 | A153-V155 PolarHBondContact O-N 2.9Å; A153-L156 WeakPolarHBondContact O-CB 3.33Å; A153-L156 PolarHBondContact O-N 3.29Å; A153-D157 PolarHBondContact O-N 3.38Å |
| 154 | P | 64.3 | Low | 65.2 | Low | 67 Ų | 67 | 45.5 Ų | 45.5 | 44% | 0.435 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.1 | -24.2 | 177 | 25.3 | -36.7 | 0 | 0 | 0 | 114.4 | D152 H158 | D152-P154 WeakPolarHBondContact OD1-CD 3.35Å; P154-H158 WeakPolarHBondContact O-CB 3.35Å; P154-H158 PolarHBondContact O-N 3.46Å |
| 155 | V | 63.7 | Low | 64.6 | Low | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -81.2 | -39.4 | 174.1 | -178.5 | 0 | 0 | 0 | 0 | 110.3 | L115 V118 L149 D152 A153 H158 L159 | L115-V155 HydrophobicContact CG-CG2 4.1Å; V118-V155 HydrophobicContact CG2-CG1 3.97Å; L149-V155 HydrophobicContact CB-CG1 4.05Å; L149-V155 HydrophobicContact CD2-CG1 4.13Å; L149-V155 WeakPolarHBondContact O-CB 3.43Å; L149-V155 WeakPolarHBondContact O-CG1 3.41Å; D152-V155 HydrophobicContact CB-CB 4.27Å; D152-V155 HydrophobicContact CB-CG2 4.24Å; D152-V155 PolarHBondContact O-N 2.9Å; D152-V155 VanDerWaalsContact OD2-CG2 3.32Å; D152-V155 WeakPolarHBondContact OD2-CG2 3.5Å; A153-V155 PolarHBondContact O-N 2.9Å; V155-H158 PolarHBondContact O-N 3.37Å; V155-L159 HydrophobicContact CG1-CD1 4.11Å; V155-L159 HydrophobicContact CG1-CG 4.38Å; V155-L159 WeakPolarHBondContact O-CB 3.44Å; V155-L159 VanDerWaalsContact O-CG 3.25Å; V155-L159 WeakPolarHBondContact O-CG 2.99Å; V155-L159 PolarHBondContact O-N 3.33Å |
| 156 | L | 66 | Low | 63.9 | Low | 13 Ų | 13 | 52.5 Ų | 52.5 | 7% | 0.068 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.1 | -46.1 | 171.3 | 178.6 | 65.2 | 0 | 0 | 0 | 111.6 | L150 D152 A153 H158 L159 M160 L213 V222 | L150-L156 HydrophobicContact CD2-CD1 3.5Å; D152-L156 PolarHBondContact O-N 3.48Å; A153-L156 WeakPolarHBondContact O-CB 3.33Å; A153-L156 PolarHBondContact O-N 3.29Å; L156-H158 PolarHBondContact O-N 2.9Å; L156-L159 PolarHBondContact O-N 2.99Å; L156-M160 HydrophobicContact CD1-CE 3.87Å; L156-M160 HydrophobicContact CD1-CG 4Å; L156-M160 HydrophobicContact CG-CG 4.4Å; L156-M160 WeakPolarHBondContact O-CB 3.49Å; L156-M160 WeakPolarHBondContact O-CG 3.31Å; L156-M160 PolarHBondContact O-N 3.04Å; L156-L213 HydrophobicContact CD1-CD2 4Å; L156-V222 HydrophobicContact CD2-CG2 3.45Å; L156-V222 VanDerWaalsContact CD2-CG2 3.45Å |
| 157 | D | 63.8 | Low | 63 | Low | 100 Ų | 100 | 55.3 Ų | 55.3 | 54% | 0.535 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 175.3 | -71.8 | -24.8 | 0 | 0 | 0 | 110.7 | A153 L159 M160 E161 | A153-D157 PolarHBondContact O-N 3.38Å; D157-L159 VanDerWaalsContact C-N 3.35Å; D157-L159 PolarHBondContact O-N 3.13Å; D157-M160 PolarHBondContact O-N 3.18Å; D157-E161 WeakPolarHBondContact O-CB 3.24Å; D157-E161 WeakPolarHBondContact O-CG 3.24Å; D157-E161 PolarHBondContact O-N 3.12Å |
| 158 | H | 65.9 | Low | 62.2 | Low | 57 Ų | 57 | 53.7 Ų | 53.7 | 26% | 0.264 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 177.3 | -164.9 | 112.1 | 0 | 0 | 0 | 112.9 | P154 V155 L156 K162 | P154-H158 WeakPolarHBondContact O-CB 3.35Å; P154-H158 PolarHBondContact O-N 3.46Å; V155-H158 PolarHBondContact O-N 3.37Å; L156-H158 PolarHBondContact O-N 2.9Å; H158-K162 WeakPolarHBondContact O-CB 3.31Å; H158-K162 PolarHBondContact O-N 2.76Å; H158-K162 VanDerWaalsContact O-N 3.11Å |
| 159 | L | 62.2 | Low | 61.3 | Low | 10 Ų | 10 | 56.6 Ų | 56.6 | 5% | 0.052 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -65.2 | -43.3 | 174.6 | -74.6 | 169.5 | 0 | 0 | 0 | 111.1 | V123 L149 L150 V155 L156 D157 V163 V164 | V123-L159 HydrophobicContact CG1-CD2 4.1Å; V123-L159 HydrophobicContact CG2-CD2 4.28Å; L149-L159 HydrophobicContact CB-CD1 4.1Å; L150-L159 HydrophobicContact CD2-CD1 3.73Å; L150-L159 HydrophobicContact CG-CD1 4.42Å; V155-L159 HydrophobicContact CG1-CD1 4.11Å; V155-L159 HydrophobicContact CG1-CG 4.38Å; V155-L159 WeakPolarHBondContact O-CB 3.44Å; V155-L159 VanDerWaalsContact O-CG 3.25Å; V155-L159 WeakPolarHBondContact O-CG 2.99Å; V155-L159 PolarHBondContact O-N 3.33Å; L156-L159 PolarHBondContact O-N 2.99Å; D157-L159 VanDerWaalsContact C-N 3.35Å; D157-L159 PolarHBondContact O-N 3.13Å; L159-V163 HydrophobicContact CD2-CB 3.93Å; L159-V163 HydrophobicContact CD2-CG1 4.24Å; L159-V163 HydrophobicContact CD2-CG2 3.98Å; L159-V163 PolarHBondContact O-N 2.95Å; L159-V164 WeakPolarHBondContact O-CB 3.4Å; L159-V164 WeakPolarHBondContact O-CG2 3.39Å; L159-V164 PolarHBondContact O-N 3.31Å |
| 160 | M | 60.9 | Low | 60.3 | Low | 59 Ų | 59 | 61 Ų | 61 | 29% | 0.291 | 33% | 0.328 | S | S | . | . | I | π-helix | trans | -78.1 | -27.8 | -177 | -66.5 | -66.1 | 144.9 | 0 | 0 | 113.7 | L150 L156 D157 V164 P165 | L150-M160 HydrophobicContact CD2-CE 4.41Å; L156-M160 HydrophobicContact CD1-CE 3.87Å; L156-M160 HydrophobicContact CD1-CG 4Å; L156-M160 HydrophobicContact CG-CG 4.4Å; L156-M160 WeakPolarHBondContact O-CB 3.49Å; L156-M160 WeakPolarHBondContact O-CG 3.31Å; L156-M160 PolarHBondContact O-N 3.04Å; D157-M160 PolarHBondContact O-N 3.18Å; M160-V164 HydrophobicContact CE-CG2 4.06Å; M160-V164 HydrophobicContact SD-CG2 4.37Å; M160-P165 VanDerWaalsContact O-CD 3.23Å; M160-P165 WeakPolarHBondContact O-CD 3.42Å; M160-P165 VanDerWaalsContact O-CG 3.23Å; M160-P165 WeakPolarHBondContact O-CG 3.36Å |
| 161 | E | 63.5 | Low | 59.1 | Low | 156 Ų | 156 | 66.9 Ų | 66.9 | 73% | 0.729 | 35% | 0.35 | S | S | * | . | I | π-helix | trans | -83.9 | -29.7 | 175.2 | -75.5 | -159.2 | 144.1 | 0 | 0 | 114 | D157 | D157-E161 WeakPolarHBondContact O-CB 3.24Å; D157-E161 WeakPolarHBondContact O-CG 3.24Å; D157-E161 PolarHBondContact O-N 3.12Å |
| 162 | K | 61.5 | Low | 57.6 | Low | 110 Ų | 110 | 75.4 Ų | 75.4 | 48% | 0.478 | 38% | 0.379 | S | S | . | . | I | π-helix | trans | -122.2 | -64.6 | -172.7 | -58.9 | -171.7 | 179.8 | -175.5 | 0 | 113.8 | H158 P165 D166 | H158-K162 WeakPolarHBondContact O-CB 3.31Å; H158-K162 PolarHBondContact O-N 2.76Å; H158-K162 VanDerWaalsContact O-N 3.11Å; K162-P165 WeakPolarHBondContact O-CD 3.48Å; K162-D166 WeakPolarHBondContact O-CB 3.35Å; K162-D166 PolarHBondContact O-N 3.19Å |
| 163 | V | 58.7 | Low | 56.5 | Low | 21 Ų | 21 | 75.8 Ų | 75.8 | 13% | 0.127 | 39% | 0.392 | C | S | . | . | I | π-helix | trans | -69.4 | -45.8 | -166.3 | -173.4 | 0 | 0 | 0 | 0 | 112 | V123 L159 F167 | V123-V163 HydrophobicContact CB-CG1 4.44Å; V123-V163 HydrophobicContact CG1-CG1 4.02Å; L159-V163 HydrophobicContact CD2-CB 3.93Å; L159-V163 HydrophobicContact CD2-CG1 4.24Å; L159-V163 HydrophobicContact CD2-CG2 3.98Å; L159-V163 PolarHBondContact O-N 2.95Å; V163-F167 WeakPolarHBondContact O-CB 3.44Å; V163-F167 PolarHBondContact O-N 3.17Å |
| 164 | V | 60.5 | Low | 55.3 | Low | 27 Ų | 27 | 80.1 Ų | 80.1 | 16% | 0.164 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -67.6 | -44.2 | 178.6 | 173.6 | 0 | 0 | 0 | 0 | 111.6 | L159 M160 F168 I186 | L159-V164 WeakPolarHBondContact O-CB 3.4Å; L159-V164 WeakPolarHBondContact O-CG2 3.39Å; L159-V164 PolarHBondContact O-N 3.31Å; M160-V164 HydrophobicContact CE-CG2 4.06Å; M160-V164 HydrophobicContact SD-CG2 4.37Å; V164-F168 HydrophobicContact CG1-CD2 3.95Å; V164-F168 HydrophobicContact CG1-CE2 4.19Å; V164-F168 WeakPolarHBondContact O-CD2 3.47Å; V164-F168 PolarHBondContact O-N 2.95Å; V164-I186 HydrophobicContact CG1-CD1 4.19Å |
| 165 | P | 55.7 | Low | 53.9 | Low | 36 Ų | 36 | 84.4 Ų | 84.4 | 23% | 0.234 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -55.2 | -57.4 | 168.8 | -30.2 | 38 | 0 | 0 | 0 | 113.2 | M160 K162 F167 F168 V169 | M160-P165 VanDerWaalsContact O-CD 3.23Å; M160-P165 WeakPolarHBondContact O-CD 3.42Å; M160-P165 VanDerWaalsContact O-CG 3.23Å; M160-P165 WeakPolarHBondContact O-CG 3.36Å; K162-P165 WeakPolarHBondContact O-CD 3.48Å; P165-F167 VanDerWaalsContact C-N 3.33Å; P165-F167 PolarHBondContact O-N 3.11Å; P165-F168 PolarHBondContact O-N 3.5Å; P165-V169 WeakPolarHBondContact O-CB 3.48Å; P165-V169 WeakPolarHBondContact O-CG2 3.45Å; P165-V169 PolarHBondContact O-N 3.49Å |
| 166 | D | 57.8 | Low | 52.4 | Low | 121 Ų | 121 | 87.8 Ų | 87.8 | 65% | 0.647 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.8 | -36.5 | -172.8 | -72.3 | -24.8 | 0 | 0 | 0 | 112.4 | K162 | K162-D166 WeakPolarHBondContact O-CB 3.35Å; K162-D166 PolarHBondContact O-N 3.19Å |
| 167 | F | 53.3 | Low | 51 | Low | 88 Ų | 88 | 90 Ų | 90 | 39% | 0.386 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63 | -44.4 | 176.3 | -169.2 | -96.4 | 0 | 0 | 0 | 112.9 | L127 V163 P165 | L127-F167 HydrophobicContact CB-CD2 4.46Å; L127-F167 HydrophobicContact CB-CE2 3.61Å; L127-F167 HydrophobicContact CB-CZ 3.88Å; L127-F167 HydrophobicContact CD1-CD2 3.89Å; L127-F167 HydrophobicContact CD1-CE1 4.49Å; L127-F167 HydrophobicContact CD1-CE2 3.79Å; L127-F167 HydrophobicContact CD1-CG 4.29Å; L127-F167 HydrophobicContact CD1-CZ 4.1Å; L127-F167 HydrophobicContact CG-CE2 4.3Å; L127-F167 HydrophobicContact CG-CZ 4.46Å; V163-F167 WeakPolarHBondContact O-CB 3.44Å; V163-F167 PolarHBondContact O-N 3.17Å; P165-F167 VanDerWaalsContact C-N 3.33Å; P165-F167 PolarHBondContact O-N 3.11Å |
| 168 | F | 49.8 | Very low | 49.7 | Very low | 62 Ų | 62 | 92 Ų | 92 | 27% | 0.272 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -89.5 | -26 | -178.2 | -70.1 | -66.2 | 0 | 0 | 0 | 114.2 | V164 P165 S170 Y171 I186 L190 | V164-F168 HydrophobicContact CG1-CD2 3.95Å; V164-F168 HydrophobicContact CG1-CE2 4.19Å; V164-F168 WeakPolarHBondContact O-CD2 3.47Å; V164-F168 PolarHBondContact O-N 2.95Å; P165-F168 PolarHBondContact O-N 3.5Å; F168-S170 PolarHBondContact O-N 3.29Å; F168-Y171 PolarHBondContact O-N 3.45Å; F168-Y171 VanDerWaalsContact O-N 3.15Å; F168-I186 HydrophobicContact CE2-CD1 4.46Å; F168-L190 HydrophobicContact CD1-CD1 3.69Å; F168-L190 HydrophobicContact CE1-CD1 3.6Å; F168-L190 HydrophobicContact CG-CD1 4.37Å; F168-L190 HydrophobicContact CZ-CD1 4.21Å |
| 169 | V | 51.7 | Low | 48.8 | Very low | 88 Ų | 88 | 94.3 Ų | 94.3 | 53% | 0.533 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.5 | -18.3 | 179.2 | 167.8 | 0 | 0 | 0 | 0 | 112.5 | P165 Y171 | P165-V169 WeakPolarHBondContact O-CB 3.48Å; P165-V169 WeakPolarHBondContact O-CG2 3.45Å; P165-V169 PolarHBondContact O-N 3.49Å; V169-Y171 PolarHBondContact O-N 3.35Å |
| 170 | S | 49.8 | Very low | 48.5 | Very low | 97 Ų | 97 | 100.5 Ų | 100.5 | 68% | 0.678 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -19.6 | 170.8 | -165.8 | 0 | 0 | 0 | 0 | 113.4 | F168 R172 | F168-S170 PolarHBondContact O-N 3.29Å; S170-R172 PolarHBondContact O-N 3.12Å |
| 171 | Y | 42.6 | Very low | 48.7 | Very low | 134 Ų | 134 | 99.9 Ų | 99.9 | 53% | 0.525 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -89.9 | 100.4 | 172.8 | -76.6 | -103.7 | 0 | 0 | 0 | 110.5 | F168 V169 G173 M196 E199 | F168-Y171 PolarHBondContact O-N 3.45Å; F168-Y171 VanDerWaalsContact O-N 3.15Å; V169-Y171 PolarHBondContact O-N 3.35Å; Y171-G173 PolarHBondContact O-N 3.31Å; Y171-M196 HydrophobicContact CD1-CE 4.27Å; Y171-M196 HydrophobicContact CE1-CE 4.17Å; Y171-E199 PolarHBondContact OH-OE1 3.45Å; Y171-E199 VanDerWaalsContact OH-OE1 3.12Å |
| 172 | R | 33.3 | Very low | 48.8 | Very low | 253 Ų | 253 | 94.6 Ų | 94.6 | 96% | 0.955 | 53% | 0.534 | S | S | * | . | trans | -68.1 | 117 | -169.1 | -75.3 | -175.6 | 172.2 | -173.7 | -0.8 | 114.9 | S170 | S170-R172 PolarHBondContact O-N 3.12Š| ||
| 173 | G | 40 | Very low | 49.3 | Very low | 47 Ų | 47 | 91 Ų | 91 | 49% | 0.485 | 52% | 0.52 | S | S | . | . | trans | -146 | 142.4 | 153.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y171 I175 | Y171-G173 PolarHBondContact O-N 3.31Å; G173-I175 PolarHBondContact O-N 3.36Å | ||
| 174 | P | 37.7 | Very low | 50 | Low | 134 Ų | 134 | 90 Ų | 90 | 87% | 0.87 | 51% | 0.514 | S | S | * | . | trans | -67.8 | 123 | -168.2 | 25.4 | -33.8 | 0 | 0 | 0 | 113 | G176 | P174-G176 VanDerWaalsContact C-N 3.33Å; P174-G176 PolarHBondContact O-N 2.88Å | ||
| 175 | I | 33.3 | Very low | 50.4 | Low | 158 Ų | 158 | 93.6 Ų | 93.6 | 81% | 0.81 | 53% | 0.525 | S | S | * | . | trans | -69.6 | 89 | 173.6 | -59.5 | 172 | 0 | 0 | 0 | 108.5 | G173 | G173-I175 PolarHBondContact O-N 3.36Š| ||
| 176 | G | 33.5 | Very low | 51.3 | Low | 73 Ų | 73 | 92.9 Ų | 92.9 | 75% | 0.753 | 52% | 0.519 | S | S | * | . | trans | -121 | 6.3 | -167.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | P174 | P174-G176 VanDerWaalsContact C-N 3.33Å; P174-G176 PolarHBondContact O-N 2.88Å | ||
| 177 | S | 36.6 | Very low | 52.2 | Low | 59 Ų | 59 | 87.3 Ų | 87.3 | 41% | 0.413 | 49% | 0.489 | S | S | . | . | trans | -131.8 | 116.3 | 174.4 | 68.2 | 0 | 0 | 0 | 0 | 111.1 | S179 | S177-S179 VanDerWaalsContact C-N 3.3Å; S177-S179 PolarHBondContact O-N 2.79Å | ||
| 178 | P | 36.7 | Very low | 53.2 | Low | 142 Ų | 142 | 83.2 Ų | 83.2 | 92% | 0.922 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 41.8 | -157.6 | 36.1 | -40 | 0 | 0 | 0 | 115.1 | ||
| 179 | S | 47 | Very low | 54 | Low | 106 Ų | 106 | 83.2 Ų | 83.2 | 74% | 0.741 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -159.6 | 28.6 | -168.8 | 58.2 | 0 | 0 | 0 | 0 | 116.9 | S177 | S177-S179 VanDerWaalsContact C-N 3.3Å; S177-S179 PolarHBondContact O-N 2.79Å |
| 180 | R | 54.5 | Low | 54.8 | Low | 139 Ų | 139 | 80.4 Ų | 80.4 | 53% | 0.525 | 46% | 0.456 | S | S | . | . | trans | -120 | 136.4 | 174.7 | -61.7 | -167.2 | -158.4 | -166.8 | 10.4 | 111.5 | A184 D188 | R180-A184 HydrophobicContact CB-CB 4.04Å; R180-D188 IonicContact CZ-OD2 2.68Å; R180-D188 IonicContact NH1-OD2 2.73Å; R180-D188 PolarHBondContact NH1-OD2 2.73Å | ||
| 181 | S | 65.7 | Low | 55.7 | Low | 46 Ų | 46 | 76.4 Ų | 76.4 | 32% | 0.322 | 43% | 0.427 | S | S | . | . | trans | -71.2 | 162.4 | 171.9 | 67.2 | 0 | 0 | 0 | 0 | 111.2 | L183 A184 Y185 E229 | S181-L183 PolarHBondContact O-N 3.32Å; S181-A184 WeakPolarHBondContact O-CB 3.21Å; S181-A184 PolarHBondContact O-N 3.35Å; S181-A184 VanDerWaalsContact O-N 3.13Å; S181-A184 WeakPolarHBondContact OG-CB 3.47Å; S181-A184 PolarHBondContact OG-N 3.27Å; S181-Y185 PolarHBondContact O-N 2.83Å; S181-E229 PolarHBondContact OG-OE1 2.77Å | ||
| 182 | A | 64.8 | Low | 56.7 | Low | 45 Ų | 45 | 71 Ų | 71 | 37% | 0.372 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -56.6 | -41.2 | 172 | 0 | 0 | 0 | 0 | 0 | 111.2 | A184 Y185 I186 | A182-A184 PolarHBondContact O-N 3.48Å; A182-Y185 WeakPolarHBondContact O-CB 3.34Å; A182-Y185 PolarHBondContact O-N 3.1Å; A182-Y185 VanDerWaalsContact O-N 3.16Å; A182-I186 WeakPolarHBondContact O-CG1 3.26Å; A182-I186 PolarHBondContact O-N 2.77Å |
| 183 | L | 73.6 | Confident | 57.9 | Low | 35 Ų | 35 | 63.8 Ų | 63.8 | 18% | 0.183 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.6 | -37.3 | 176.7 | -161.8 | 148.2 | 0 | 0 | 0 | 111.9 | S181 Y185 I186 L187 L213 L226 E229 | S181-L183 PolarHBondContact O-N 3.32Å; L183-Y185 VanDerWaalsContact C-N 3.35Å; L183-Y185 PolarHBondContact O-N 3.35Å; L183-I186 PolarHBondContact O-N 3.29Å; L183-L187 HydrophobicContact CD2-CD1 3.56Å; L183-L187 HydrophobicContact CD2-CG 3.89Å; L183-L187 WeakPolarHBondContact O-CB 3.31Å; L183-L187 VanDerWaalsContact O-CG 3.3Å; L183-L187 WeakPolarHBondContact O-CG 3.32Å; L183-L187 PolarHBondContact O-N 3.01Å; L183-L213 HydrophobicContact CD1-CD1 3.92Å; L183-L226 HydrophobicContact CD1-CD1 4.2Å; L183-L226 HydrophobicContact CD2-CD1 4.4Å; L183-E229 HydrophobicContact CD2-CB 3.53Å; L183-E229 HydrophobicContact CD2-CG 4.16Å |
| 184 | A | 72.4 | Confident | 58.5 | Low | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 171 | 0 | 0 | 0 | 0 | 0 | 112.6 | R180 S181 A182 D188 E229 | R180-A184 HydrophobicContact CB-CB 4.04Å; S181-A184 WeakPolarHBondContact O-CB 3.21Å; S181-A184 PolarHBondContact O-N 3.35Å; S181-A184 VanDerWaalsContact O-N 3.13Å; S181-A184 WeakPolarHBondContact OG-CB 3.47Å; S181-A184 PolarHBondContact OG-N 3.27Å; A182-A184 PolarHBondContact O-N 3.48Å; A184-D188 WeakPolarHBondContact O-CB 3.47Å; A184-D188 PolarHBondContact O-N 2.91Å; A184-E229 WeakPolarHBondContact CB-OE2 3.44Å |
| 185 | Y | 69.1 | Low | 59.3 | Low | 103 Ų | 103 | 65.9 Ų | 65.9 | 40% | 0.404 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.6 | -43.3 | 176.1 | -178.5 | -86 | 0 | 0 | 0 | 111.8 | S181 A182 L183 D188 N189 | S181-Y185 PolarHBondContact O-N 2.83Å; A182-Y185 WeakPolarHBondContact O-CB 3.34Å; A182-Y185 PolarHBondContact O-N 3.1Å; A182-Y185 VanDerWaalsContact O-N 3.16Å; L183-Y185 VanDerWaalsContact C-N 3.35Å; L183-Y185 PolarHBondContact O-N 3.35Å; Y185-D188 PolarHBondContact O-N 2.92Å; Y185-N189 VanDerWaalsContact CD2-ND2 3.28Å; Y185-N189 WeakPolarHBondContact CD2-ND2 3.4Å; Y185-N189 WeakPolarHBondContact CE2-ND2 3.44Å; Y185-N189 PolarHBondContact O-N 3.33Å; Y185-N189 VanDerWaalsContact O-N 3.1Å; Y185-N189 PolarHBondContact O-ND2 2.81Å |
| 186 | I | 73.5 | Confident | 60.2 | Low | 21 Ų | 21 | 61 Ų | 61 | 11% | 0.108 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.7 | -51.5 | 175.8 | -67.2 | 163.2 | 0 | 0 | 0 | 110.3 | V164 F168 A182 L183 D188 L190 V206 | V164-I186 HydrophobicContact CG1-CD1 4.19Å; F168-I186 HydrophobicContact CE2-CD1 4.46Å; A182-I186 WeakPolarHBondContact O-CG1 3.26Å; A182-I186 PolarHBondContact O-N 2.77Å; L183-I186 PolarHBondContact O-N 3.29Å; I186-D188 VanDerWaalsContact C-N 3.3Å; I186-D188 PolarHBondContact O-N 3.1Å; I186-L190 HydrophobicContact CB-CD1 4.49Å; I186-L190 HydrophobicContact CG1-CD1 4.14Å; I186-L190 HydrophobicContact CG2-CD1 4.49Å; I186-L190 PolarHBondContact O-N 3.19Å; I186-V206 HydrophobicContact CG2-CB 4.37Å; I186-V206 HydrophobicContact CG2-CG1 3.59Å; I186-V206 HydrophobicContact CG2-CG2 3.84Å |
| 187 | L | 77.6 | Confident | 60.9 | Low | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.016 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.1 | -31.2 | 177.4 | -67.2 | -177.3 | 0 | 0 | 0 | 113.3 | L183 L191 I210 E229 V230 A233 L257 | L183-L187 HydrophobicContact CD2-CD1 3.56Å; L183-L187 HydrophobicContact CD2-CG 3.89Å; L183-L187 WeakPolarHBondContact O-CB 3.31Å; L183-L187 VanDerWaalsContact O-CG 3.3Å; L183-L187 WeakPolarHBondContact O-CG 3.32Å; L183-L187 PolarHBondContact O-N 3.01Å; L187-L191 HydrophobicContact CB-CD1 4.4Å; L187-L191 HydrophobicContact CD2-CD1 3.87Å; L187-L191 WeakPolarHBondContact O-CD1 3.32Å; L187-I210 HydrophobicContact CD2-CD1 4.08Å; L187-E229 HydrophobicContact CD1-CB 4.02Å; L187-V230 HydrophobicContact CD1-CG2 4.01Å; L187-A233 HydrophobicContact CB-CB 4.11Å; L187-A233 HydrophobicContact CD1-CB 4.02Å; L187-L257 HydrophobicContact CD2-CD1 3.36Å |
| 188 | D | 73.5 | Confident | 61.4 | Low | 2 Ų | 2 | 70.1 Ų | 70.1 | 1% | 0.011 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -83.2 | -24.3 | -175.2 | -80.6 | -15.6 | 0 | 0 | 0 | 114.4 | R180 A184 Y185 I186 R236 R250 | R180-D188 IonicContact CZ-OD2 2.68Å; R180-D188 IonicContact NH1-OD2 2.73Å; R180-D188 PolarHBondContact NH1-OD2 2.73Å; A184-D188 WeakPolarHBondContact O-CB 3.47Å; A184-D188 PolarHBondContact O-N 2.91Å; Y185-D188 PolarHBondContact O-N 2.92Å; I186-D188 VanDerWaalsContact C-N 3.3Å; I186-D188 PolarHBondContact O-N 3.1Å; D188-R236 VanDerWaalsContact CG-NE 3.33Å; D188-R236 VanDerWaalsContact CG-NH2 3.34Å; D188-R236 IonicContact OD1-CZ 2.71Å; D188-R236 VanDerWaalsContact OD1-CZ 3.29Å; D188-R236 IonicContact OD1-NE 3.03Å; D188-R236 PolarHBondContact OD1-NE 2.95Å; D188-R236 IonicContact OD1-NH2 3.8Å; D188-R236 PolarHBondContact OD1-NH2 3.16Å; D188-R236 IonicContact OD2-CZ 2.62Å; D188-R236 IonicContact OD2-NE 3.24Å; D188-R236 PolarHBondContact OD2-NE 3.44Å; D188-R236 IonicContact OD2-NH2 3.78Å; D188-R236 PolarHBondContact OD2-NH2 3.09Å; D188-R250 VanDerWaalsContact O-CZ 3.28Å; D188-R250 PolarHBondContact O-NH1 3.16Å; D188-R250 PolarHBondContact O-NH2 3.15Å; D188-R250 VanDerWaalsContact O-NH2 3.14Å; D188-R250 IonicContact OD1-NH2 2.63Å; D188-R250 PolarHBondContact OD1-NH2 2.86Å; D188-R250 IonicContact OD2-NH2 3.12Å |
| 189 | N | 67.3 | Low | 62.1 | Low | 63 Ų | 63 | 66.1 Ų | 66.1 | 34% | 0.337 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -129.6 | -34.1 | -169.2 | -53.2 | -67 | 0 | 0 | 0 | 114.8 | Y185 | Y185-N189 VanDerWaalsContact CD2-ND2 3.28Å; Y185-N189 WeakPolarHBondContact CD2-ND2 3.4Å; Y185-N189 WeakPolarHBondContact CE2-ND2 3.44Å; Y185-N189 PolarHBondContact O-N 3.33Å; Y185-N189 VanDerWaalsContact O-N 3.1Å; Y185-N189 PolarHBondContact O-ND2 2.81Å |
| 190 | L | 68.2 | Low | 62.3 | Low | 29 Ų | 29 | 69.7 Ų | 69.7 | 15% | 0.152 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 0.9 | -169.8 | -58.8 | 178.1 | 0 | 0 | 0 | 114.4 | F168 I186 V206 | F168-L190 HydrophobicContact CD1-CD1 3.69Å; F168-L190 HydrophobicContact CE1-CD1 3.6Å; F168-L190 HydrophobicContact CG-CD1 4.37Å; F168-L190 HydrophobicContact CZ-CD1 4.21Å; I186-L190 HydrophobicContact CB-CD1 4.49Å; I186-L190 HydrophobicContact CG1-CD1 4.14Å; I186-L190 HydrophobicContact CG2-CD1 4.49Å; I186-L190 PolarHBondContact O-N 3.19Å; L190-V206 HydrophobicContact CB-CG2 3.85Å |
| 191 | L | 68.6 | Low | 62.3 | Low | 13 Ų | 13 | 69.2 Ų | 69.2 | 7% | 0.068 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -9.8 | 179.8 | -77.5 | 178.9 | 0 | 0 | 0 | 115.3 | L187 V206 A253 I254 L257 | L187-L191 HydrophobicContact CB-CD1 4.4Å; L187-L191 HydrophobicContact CD2-CD1 3.87Å; L187-L191 WeakPolarHBondContact O-CD1 3.32Å; L191-V206 HydrophobicContact CD2-CB 4.34Å; L191-V206 HydrophobicContact CD2-CG1 3.51Å; L191-V206 HydrophobicContact CG-CG1 4.26Å; L191-A253 HydrophobicContact CB-CB 4.4Å; L191-I254 HydrophobicContact CD1-CG1 4.27Å; L191-L257 HydrophobicContact CD1-CD1 3.66Å; L191-L257 HydrophobicContact CD1-CG 4.35Å; L191-L257 HydrophobicContact CD2-CD1 3.99Å; L191-L257 HydrophobicContact CD2-CD2 4.07Å; L191-L257 HydrophobicContact CD2-CG 4.25Å; L191-L257 HydrophobicContact CG-CD1 4.47Å |
| 192 | I | 65 | Low | 62.1 | Low | 19 Ų | 19 | 68.9 Ų | 68.9 | 10% | 0.097 | 34% | 0.337 | C | S | . | . | trans | -115.8 | 103.1 | -171.9 | -54.9 | 177.1 | 0 | 0 | 0 | 109 | E194 L195 R250 | I192-E194 HydrophobicContact CG2-CB 4.5Å; I192-E194 PolarHBondContact O-N 2.85Å; I192-E194 VanDerWaalsContact O-N 3.14Å; I192-L195 HydrophobicContact CB-CD1 4.24Å; I192-L195 PolarHBondContact O-N 3.35Å; I192-R250 HydrophobicContact CD1-CB 3.82Å; I192-R250 HydrophobicContact CD1-CG 4.07Å | ||
| 193 | E | 57.1 | Low | 62.2 | Low | 103 Ų | 103 | 67 Ų | 67 | 48% | 0.481 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -57.4 | -31 | -171.9 | -66.4 | 161.5 | -156.7 | 0 | 0 | 113 | L195 M196 K207 | E193-L195 VanDerWaalsContact C-N 3.29Å; E193-L195 PolarHBondContact O-N 2.89Å; E193-M196 CarbonylContact O-C 3.55Å; E193-M196 PolarHBondContact O-N 3.04Å; E193-M196 VanDerWaalsContact O-N 3.16Å; E193-K207 IonicContact OE1-NZ 3.89Å; E193-K207 PolarHBondContact OE1-NZ 2.97Å |
| 194 | E | 52.8 | Low | 61.7 | Low | 115 Ų | 115 | 68.8 Ų | 68.8 | 54% | 0.537 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -69.1 | -18 | 178.3 | -62.7 | 176 | 116.5 | 0 | 0 | 115.1 | I192 M196 R249 | I192-E194 HydrophobicContact CG2-CB 4.5Å; I192-E194 PolarHBondContact O-N 2.85Å; I192-E194 VanDerWaalsContact O-N 3.14Å; E194-M196 VanDerWaalsContact C-N 3.26Å; E194-R249 IonicContact OE1-CZ 3.02Å; E194-R249 IonicContact OE1-NH1 3.97Å; E194-R249 PolarHBondContact OE1-NH1 3.34Å; E194-R249 IonicContact OE1-NH2 2.84Å; E194-R249 WeakPolarHBondContact OE2-CD 3.48Å; E194-R249 IonicContact OE2-CZ 2.69Å; E194-R249 IonicContact OE2-NE 3.37Å; E194-R249 IonicContact OE2-NH1 3.45Å; E194-R249 PolarHBondContact OE2-NH1 3.1Å |
| 195 | L | 54.2 | Low | 61.4 | Low | 109 Ų | 109 | 71.2 Ų | 71.2 | 57% | 0.571 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -76.8 | -15.5 | 173.7 | -76.9 | 168.7 | 0 | 0 | 0 | 112.4 | I192 E193 P197 | I192-L195 HydrophobicContact CB-CD1 4.24Å; I192-L195 PolarHBondContact O-N 3.35Å; E193-L195 VanDerWaalsContact C-N 3.29Å; E193-L195 PolarHBondContact O-N 2.89Å; L195-P197 VanDerWaalsContact C-CD 3.5Å; L195-P197 WeakPolarHBondContact O-CD 3.39Å |
| 196 | M | 52.3 | Low | 61.6 | Low | 57 Ų | 57 | 66.7 Ų | 66.7 | 28% | 0.281 | 34% | 0.34 | S | S | . | . | trans | -126.9 | 66.4 | -177.9 | -63.2 | -63.6 | -71.2 | 0 | 0 | 110.5 | Y171 E193 E194 Y198 E199 | Y171-M196 HydrophobicContact CD1-CE 4.27Å; Y171-M196 HydrophobicContact CE1-CE 4.17Å; E193-M196 CarbonylContact O-C 3.55Å; E193-M196 PolarHBondContact O-N 3.04Å; E193-M196 VanDerWaalsContact O-N 3.16Å; E194-M196 VanDerWaalsContact C-N 3.26Å; M196-Y198 PolarHBondContact O-N 3.26Å; M196-E199 HydrophobicContact CB-CB 4.41Å; M196-E199 WeakPolarHBondContact CE-OE2 3.37Å; M196-E199 PolarHBondContact O-N 3.16Å | ||
| 197 | P | 48.1 | Very low | 61.5 | Low | 103 Ų | 103 | 68.9 Ų | 68.9 | 67% | 0.669 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -6.9 | -171.3 | 25.4 | -35.7 | 0 | 0 | 0 | 115.6 | L195 | L195-P197 VanDerWaalsContact C-CD 3.5Å; L195-P197 WeakPolarHBondContact O-CD 3.39Å |
| 198 | Y | 48.1 | Very low | 61 | Low | 220 Ų | 220 | 72 Ų | 72 | 86% | 0.863 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | -9.7 | 176.4 | -64.6 | -79.7 | 0 | 0 | 0 | 114 | M196 | M196-Y198 PolarHBondContact O-N 3.26Š|
| 199 | E | 51 | Low | 61 | Low | 58 Ų | 58 | 74.6 Ų | 74.6 | 27% | 0.271 | 38% | 0.381 | S | S | . | . | trans | -136.5 | 72.6 | -166.4 | -69.2 | 171.6 | -163 | 0 | 0 | 112.4 | Y171 M196 E201 C202 | Y171-E199 PolarHBondContact OH-OE1 3.45Å; Y171-E199 VanDerWaalsContact OH-OE1 3.12Å; M196-E199 HydrophobicContact CB-CB 4.41Å; M196-E199 WeakPolarHBondContact CE-OE2 3.37Å; M196-E199 PolarHBondContact O-N 3.16Å; E199-E201 PolarHBondContact O-N 2.97Å; E199-E201 VanDerWaalsContact O-N 3.09Å; E199-C202 PolarHBondContact O-N 3.36Å; E199-C202 PolarHBondContact OE2-SG 2.75Å | ||
| 200 | K | 50.4 | Low | 61.5 | Low | 181 Ų | 181 | 71.7 Ų | 71.7 | 79% | 0.787 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -18.2 | 176.7 | -75.2 | -172.3 | 174.2 | -176.6 | 0 | 114.5 | ||
| 201 | E | 55.9 | Low | 61.7 | Low | 129 Ų | 129 | 71.5 Ų | 71.5 | 60% | 0.603 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -27.3 | -171.5 | -63.5 | 175.8 | -166.6 | 0 | 0 | 112.7 | A131 E199 G203 S204 A205 | A131-E201 WeakPolarHBondContact CB-OE1 3.41Å; E199-E201 PolarHBondContact O-N 2.97Å; E199-E201 VanDerWaalsContact O-N 3.09Å; E201-G203 PolarHBondContact O-N 3.32Å; E201-S204 WeakPolarHBondContact O-CB 3.12Å; E201-S204 PolarHBondContact O-N 3.32Å; E201-S204 VanDerWaalsContact O-N 3.09Å; E201-A205 PolarHBondContact O-N 3.19Å; E201-A205 VanDerWaalsContact O-N 3.11Å |
| 202 | C | 61.5 | Low | 61.7 | Low | 39 Ų | 39 | 71.6 Ų | 71.6 | 26% | 0.264 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.8 | -40.9 | -175.9 | -70.1 | 0 | 0 | 0 | 0 | 113.3 | E199 S204 A205 V206 | E199-C202 PolarHBondContact O-N 3.36Å; E199-C202 PolarHBondContact OE2-SG 2.75Å; C202-S204 VanDerWaalsContact C-N 3.25Å; C202-S204 PolarHBondContact O-N 3.46Å; C202-A205 PolarHBondContact O-N 3.41Å; C202-V206 WeakPolarHBondContact O-CG2 3.49Å; C202-V206 PolarHBondContact O-N 3.25Å |
| 203 | G | 65.4 | Low | 62.1 | Low | 4 Ų | 4 | 71 Ų | 71 | 4% | 0.041 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.7 | -29.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | E201 K207 | E201-G203 PolarHBondContact O-N 3.32Å; G203-K207 VanDerWaalsContact O-CD 3.23Å; G203-K207 WeakPolarHBondContact O-CD 3.28Å; G203-K207 WeakPolarHBondContact O-CE 3.25Å; G203-K207 VanDerWaalsContact O-CG 3.22Å; G203-K207 WeakPolarHBondContact O-CG 3.47Å; G203-K207 PolarHBondContact O-N 3.09Å |
| 204 | S | 64.1 | Low | 62.9 | Low | 73 Ų | 73 | 66.1 Ų | 66.1 | 51% | 0.51 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -78.4 | -40.2 | 175.2 | -65.3 | 0 | 0 | 0 | 0 | 111.8 | E201 C202 V206 K207 L208 | E201-S204 WeakPolarHBondContact O-CB 3.12Å; E201-S204 PolarHBondContact O-N 3.32Å; E201-S204 VanDerWaalsContact O-N 3.09Å; C202-S204 VanDerWaalsContact C-N 3.25Å; C202-S204 PolarHBondContact O-N 3.46Å; S204-V206 VanDerWaalsContact C-N 3.34Å; S204-V206 PolarHBondContact O-N 2.94Å; S204-K207 PolarHBondContact O-N 3.31Å; S204-L208 PolarHBondContact O-N 2.93Å |
| 205 | A | 65.3 | Low | 63.8 | Low | 52 Ų | 52 | 61.7 Ų | 61.7 | 43% | 0.43 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.5 | -42.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E201 C202 L208 V209 | E201-A205 PolarHBondContact O-N 3.19Å; E201-A205 VanDerWaalsContact O-N 3.11Å; C202-A205 PolarHBondContact O-N 3.41Å; A205-L208 PolarHBondContact O-N 3.34Å; A205-V209 WeakPolarHBondContact O-CG2 3.38Å; A205-V209 PolarHBondContact O-N 2.91Å |
| 206 | V | 72.8 | Confident | 64.5 | Low | 7 Ų | 7 | 56.9 Ų | 56.9 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 175.1 | 176.6 | 0 | 0 | 0 | 0 | 111.6 | I186 L190 L191 C202 S204 L208 V209 I210 | I186-V206 HydrophobicContact CG2-CB 4.37Å; I186-V206 HydrophobicContact CG2-CG1 3.59Å; I186-V206 HydrophobicContact CG2-CG2 3.84Å; L190-V206 HydrophobicContact CB-CG2 3.85Å; L191-V206 HydrophobicContact CD2-CB 4.34Å; L191-V206 HydrophobicContact CD2-CG1 3.51Å; L191-V206 HydrophobicContact CG-CG1 4.26Å; C202-V206 WeakPolarHBondContact O-CG2 3.49Å; C202-V206 PolarHBondContact O-N 3.25Å; S204-V206 VanDerWaalsContact C-N 3.34Å; S204-V206 PolarHBondContact O-N 2.94Å; V206-L208 VanDerWaalsContact C-N 3.31Å; V206-L208 PolarHBondContact O-N 3.21Å; V206-V209 PolarHBondContact O-N 3.37Å; V206-I210 HydrophobicContact CG1-CG1 4.27Å; V206-I210 VanDerWaalsContact O-CG1 3.28Å; V206-I210 WeakPolarHBondContact O-CG1 3.3Å; V206-I210 PolarHBondContact O-N 2.95Å |
| 207 | K | 72.4 | Confident | 65.1 | Low | 67 Ų | 67 | 56.8 Ų | 56.8 | 29% | 0.291 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.3 | -39.7 | 175.5 | -69.8 | 159.6 | -165.5 | 155.7 | 0 | 111.4 | E193 G203 S204 A211 L257 | E193-K207 IonicContact OE1-NZ 3.89Å; E193-K207 PolarHBondContact OE1-NZ 2.97Å; G203-K207 VanDerWaalsContact O-CD 3.23Å; G203-K207 WeakPolarHBondContact O-CD 3.28Å; G203-K207 WeakPolarHBondContact O-CE 3.25Å; G203-K207 VanDerWaalsContact O-CG 3.22Å; G203-K207 WeakPolarHBondContact O-CG 3.47Å; G203-K207 PolarHBondContact O-N 3.09Å; S204-K207 PolarHBondContact O-N 3.31Å; K207-A211 WeakPolarHBondContact O-CB 3.48Å; K207-A211 PolarHBondContact O-N 3.23Å; K207-L257 HydrophobicContact CG-CD2 4.38Å |
| 208 | L | 67.1 | Low | 65.9 | Low | 70 Ų | 70 | 60.2 Ų | 60.2 | 37% | 0.366 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 176.6 | -175.3 | 68.1 | 0 | 0 | 0 | 112.6 | S204 A205 V206 A211 S212 | S204-L208 PolarHBondContact O-N 2.93Å; A205-L208 PolarHBondContact O-N 3.34Å; V206-L208 VanDerWaalsContact C-N 3.31Å; V206-L208 PolarHBondContact O-N 3.21Å; L208-A211 PolarHBondContact O-N 3.02Å; L208-S212 WeakPolarHBondContact O-CB 3.46Å; L208-S212 PolarHBondContact O-N 3.06Å; L208-S212 PolarHBondContact O-OG 2.97Å |
| 209 | V | 73 | Confident | 66.9 | Low | 55 Ų | 55 | 52 Ų | 52 | 33% | 0.333 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.4 | -44.2 | 176.5 | 172.3 | 0 | 0 | 0 | 0 | 111 | A205 V206 A211 S212 L213 | A205-V209 WeakPolarHBondContact O-CG2 3.38Å; A205-V209 PolarHBondContact O-N 2.91Å; V206-V209 PolarHBondContact O-N 3.37Å; V209-A211 PolarHBondContact O-N 3.35Å; V209-S212 PolarHBondContact O-N 2.9Å; V209-L213 HydrophobicContact CG1-CD1 4.01Å; V209-L213 HydrophobicContact CG1-CG 4.45Å; V209-L213 WeakPolarHBondContact O-CG 3.38Å; V209-L213 PolarHBondContact O-N 3.16Å |
| 210 | I | 77.3 | Confident | 67.9 | Low | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.015 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.9 | -38.4 | 177 | -64.6 | -70.4 | 0 | 0 | 0 | 111.5 | L187 V206 A214 L226 L257 M261 | L187-I210 HydrophobicContact CD2-CD1 4.08Å; V206-I210 HydrophobicContact CG1-CG1 4.27Å; V206-I210 VanDerWaalsContact O-CG1 3.28Å; V206-I210 WeakPolarHBondContact O-CG1 3.3Å; V206-I210 PolarHBondContact O-N 2.95Å; I210-A214 VanDerWaalsContact O-CB 3.29Å; I210-A214 WeakPolarHBondContact O-CB 3.38Å; I210-A214 PolarHBondContact O-N 3.48Å; I210-L226 HydrophobicContact CD1-CD1 3.68Å; I210-L226 HydrophobicContact CG2-CD1 4.42Å; I210-L257 HydrophobicContact CB-CD2 4.41Å; I210-L257 HydrophobicContact CG1-CD1 4.34Å; I210-L257 HydrophobicContact CG1-CD2 4.44Å; I210-L257 HydrophobicContact CG2-CD1 4.45Å; I210-L257 HydrophobicContact CG2-CD2 4.17Å; I210-M261 HydrophobicContact CG2-CG 3.99Å |
| 211 | A | 72.4 | Confident | 69 | Low | 25 Ų | 25 | 51.3 Ų | 51.3 | 21% | 0.207 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63 | -44.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | K207 L208 V209 A214 A215 V260 A264 | K207-A211 WeakPolarHBondContact O-CB 3.48Å; K207-A211 PolarHBondContact O-N 3.23Å; L208-A211 PolarHBondContact O-N 3.02Å; V209-A211 PolarHBondContact O-N 3.35Å; A211-A214 PolarHBondContact O-N 3.2Å; A211-A215 WeakPolarHBondContact O-CB 3.4Å; A211-A215 PolarHBondContact O-N 3.48Å; A211-V260 HydrophobicContact CB-CG1 3.85Å; A211-A264 HydrophobicContact CB-CB 4.11Å; A211-A264 WeakPolarHBondContact O-CB 3.47Å |
| 212 | S | 68.6 | Low | 69.8 | Low | 14 Ų | 14 | 46.1 Ų | 46.1 | 10% | 0.098 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 178.2 | -55.6 | 0 | 0 | 0 | 0 | 111.8 | L208 V209 A214 A215 S216 | L208-S212 WeakPolarHBondContact O-CB 3.46Å; L208-S212 PolarHBondContact O-N 3.06Å; L208-S212 PolarHBondContact O-OG 2.97Å; V209-S212 PolarHBondContact O-N 2.9Å; S212-A214 VanDerWaalsContact C-N 3.3Å; S212-A214 PolarHBondContact O-N 3.11Å; S212-A215 PolarHBondContact O-N 3.44Å; S212-S216 PolarHBondContact O-N 3.3Å; S212-S216 PolarHBondContact O-OG 3.02Å |
| 213 | L | 74.8 | Confident | 70.7 | Confident | 8 Ų | 8 | 44.2 Ų | 44.2 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.4 | -31.1 | 175.5 | -68.3 | 171.7 | 0 | 0 | 0 | 113 | L156 L183 V209 V222 L226 | L156-L213 HydrophobicContact CD1-CD2 4Å; L183-L213 HydrophobicContact CD1-CD1 3.92Å; V209-L213 HydrophobicContact CG1-CD1 4.01Å; V209-L213 HydrophobicContact CG1-CG 4.45Å; V209-L213 WeakPolarHBondContact O-CG 3.38Å; V209-L213 PolarHBondContact O-N 3.16Å; L213-V222 HydrophobicContact CB-CG1 4.41Å; L213-V222 HydrophobicContact CD2-CG1 3.97Å; L213-L226 HydrophobicContact CB-CD2 4.16Å |
| 214 | A | 74.4 | Confident | 71.5 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -73.9 | -32 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I210 A211 S212 S216 L226 M261 A264 C265 I290 | I210-A214 VanDerWaalsContact O-CB 3.29Å; I210-A214 WeakPolarHBondContact O-CB 3.38Å; I210-A214 PolarHBondContact O-N 3.48Å; A211-A214 PolarHBondContact O-N 3.2Å; S212-A214 VanDerWaalsContact C-N 3.3Å; S212-A214 PolarHBondContact O-N 3.11Å; A214-S216 VanDerWaalsContact C-N 3.29Å; A214-S216 PolarHBondContact O-N 2.88Å; A214-L226 HydrophobicContact CB-CD2 4.18Å; A214-M261 HydrophobicContact CB-CB 4.31Å; A214-M261 HydrophobicContact CB-CG 4.18Å; A214-A264 HydrophobicContact CB-CB 3.95Å; A214-C265 PolarHBondContact O-SG 3.15Å; A214-I290 HydrophobicContact CB-CD1 3.59Å |
| 215 | A | 71.2 | Confident | 72.2 | Confident | 21 Ų | 21 | 47.7 Ų | 47.7 | 17% | 0.174 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -73.1 | -16.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A211 S212 T217 A264 | A211-A215 WeakPolarHBondContact O-CB 3.4Å; A211-A215 PolarHBondContact O-N 3.48Å; S212-A215 PolarHBondContact O-N 3.44Å; A215-T217 PolarHBondContact O-N 3.04Å; A215-A264 HydrophobicContact CB-CB 4.49Å; A215-A264 WeakPolarHBondContact CB-O 3.41Å |
| 216 | S | 67.8 | Low | 73.1 | Confident | 9 Ų | 9 | 45.3 Ų | 45.3 | 6% | 0.063 | 24% | 0.238 | C | C | . | . | trans | -69.5 | 55.5 | 176.3 | -62.8 | 0 | 0 | 0 | 0 | 113.6 | S212 A214 Q218 N219 | S212-S216 PolarHBondContact O-N 3.3Å; S212-S216 PolarHBondContact O-OG 3.02Å; A214-S216 VanDerWaalsContact C-N 3.29Å; A214-S216 PolarHBondContact O-N 2.88Å; S216-Q218 PolarHBondContact O-N 3.22Å; S216-N219 PolarHBondContact O-N 2.92Å | ||
| 217 | T | 65.9 | Low | 73.6 | Confident | 54 Ų | 54 | 45 Ų | 45 | 33% | 0.331 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -19.5 | -177 | 51.2 | 0 | 0 | 0 | 0 | 115.2 | A215 | A215-T217 PolarHBondContact O-N 3.04Š|
| 218 | Q | 65 | Low | 74.2 | Confident | 176 Ų | 176 | 43.9 Ų | 43.9 | 82% | 0.822 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -19.1 | 178.7 | -56.2 | -170.5 | 41 | 0 | 0 | 113.6 | S216 | S216-Q218 PolarHBondContact O-N 3.22Š|
| 219 | N | 68.8 | Low | 75 | Confident | 46 Ų | 46 | 42 Ų | 42 | 25% | 0.246 | 22% | 0.224 | C | C | . | . | trans | -112 | 95.4 | -176.7 | -170.1 | -31.9 | 0 | 0 | 0 | 111.4 | S216 E221 V222 L223 | S216-N219 PolarHBondContact O-N 2.92Å; N219-E221 PolarHBondContact O-N 3.31Å; N219-E221 WeakPolarHBondContact OD1-CB 3.24Å; N219-E221 PolarHBondContact OD1-N 3.39Å; N219-V222 HydrophobicContact CB-CB 4.28Å; N219-V222 HydrophobicContact CB-CG2 4.2Å; N219-V222 VanDerWaalsContact CG-CG2 3.5Å; N219-V222 WeakPolarHBondContact ND2-CG2 3.45Å; N219-V222 PolarHBondContact OD1-N 3.11Å; N219-L223 PolarHBondContact O-N 3.17Å | ||
| 220 | E | 72 | Confident | 75.7 | Confident | 72 Ų | 72 | 39.4 Ų | 39.4 | 34% | 0.336 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.2 | -21 | 178.6 | -72.9 | -152 | 173.8 | 0 | 0 | 114 | S224 K292 W293 | E220-S224 VanDerWaalsContact O-CB 3.24Å; E220-S224 WeakPolarHBondContact O-CB 3.47Å; E220-S224 PolarHBondContact O-N 3.1Å; E220-K292 IonicContact OE1-NZ 3.46Å; E220-K292 PolarHBondContact OE1-NZ 3.14Å; E220-K292 IonicContact OE2-NZ 3.47Å; E220-K292 PolarHBondContact OE2-NZ 2.87Å; E220-W293 HydrophobicContact CB-CZ2 4.22Å; E220-W293 PolarHBondContact O-NE1 2.9Å |
| 221 | E | 72.9 | Confident | 76.2 | Confident | 153 Ų | 153 | 41.3 Ų | 41.3 | 72% | 0.715 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -75.5 | -43.6 | 179.9 | -57.7 | -162.4 | 148 | 0 | 0 | 111.2 | N219 L223 S224 M225 | N219-E221 PolarHBondContact O-N 3.31Å; N219-E221 WeakPolarHBondContact OD1-CB 3.24Å; N219-E221 PolarHBondContact OD1-N 3.39Å; E221-L223 VanDerWaalsContact C-N 3.34Å; E221-L223 PolarHBondContact O-N 3.32Å; E221-S224 WeakPolarHBondContact O-CB 3.21Å; E221-S224 PolarHBondContact O-N 2.89Å; E221-M225 WeakPolarHBondContact O-CG 3.46Å; E221-M225 PolarHBondContact O-N 3.02Å |
| 222 | V | 74.1 | Confident | 76.8 | Confident | 20 Ų | 20 | 43.6 Ų | 43.6 | 12% | 0.121 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.8 | -45.7 | 172.7 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | L156 L213 N219 S224 M225 L226 | L156-V222 HydrophobicContact CD2-CG2 3.45Å; L156-V222 VanDerWaalsContact CD2-CG2 3.45Å; L213-V222 HydrophobicContact CB-CG1 4.41Å; L213-V222 HydrophobicContact CD2-CG1 3.97Å; N219-V222 HydrophobicContact CB-CB 4.28Å; N219-V222 HydrophobicContact CB-CG2 4.2Å; N219-V222 VanDerWaalsContact CG-CG2 3.5Å; N219-V222 WeakPolarHBondContact ND2-CG2 3.45Å; N219-V222 PolarHBondContact OD1-N 3.11Å; V222-S224 PolarHBondContact O-N 3.34Å; V222-M225 PolarHBondContact O-N 2.77Å; V222-L226 VanDerWaalsContact O-CB 3.3Å; V222-L226 WeakPolarHBondContact O-CB 3.4Å; V222-L226 PolarHBondContact O-N 2.9Å |
| 223 | L | 79.6 | Confident | 77.6 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.6 | -38.8 | 176.3 | -63.3 | 172.7 | 0 | 0 | 0 | 112.3 | N219 E221 V227 I290 | N219-L223 PolarHBondContact O-N 3.17Å; E221-L223 VanDerWaalsContact C-N 3.34Å; E221-L223 PolarHBondContact O-N 3.32Å; L223-V227 VanDerWaalsContact O-CG2 3.31Å; L223-V227 WeakPolarHBondContact O-CG2 3.39Å; L223-V227 PolarHBondContact O-N 3.37Å; L223-V227 VanDerWaalsContact O-N 3.11Å; L223-I290 HydrophobicContact CD2-CB 4.33Å; L223-I290 HydrophobicContact CD2-CD1 3.93Å; L223-I290 HydrophobicContact CD2-CG1 4.14Å |
| 224 | S | 81.2 | Confident | 78.3 | Confident | 20 Ų | 20 | 42.7 Ų | 42.7 | 14% | 0.14 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.3 | -45.3 | 173.4 | 175.5 | 0 | 0 | 0 | 0 | 111.9 | E220 E221 V222 T228 W293 K297 | E220-S224 VanDerWaalsContact O-CB 3.24Å; E220-S224 WeakPolarHBondContact O-CB 3.47Å; E220-S224 PolarHBondContact O-N 3.1Å; E221-S224 WeakPolarHBondContact O-CB 3.21Å; E221-S224 PolarHBondContact O-N 2.89Å; V222-S224 PolarHBondContact O-N 3.34Å; S224-T228 WeakPolarHBondContact O-CB 3.32Å; S224-T228 PolarHBondContact O-N 3Å; S224-T228 VanDerWaalsContact O-N 3.12Å; S224-T228 PolarHBondContact O-OG1 2.87Å; S224-W293 WeakPolarHBondContact OG-CZ3 3.43Å; S224-K297 WeakPolarHBondContact O-CE 3.31Å; S224-K297 PolarHBondContact O-NZ 3.29Å; S224-K297 WeakPolarHBondContact OG-CE 3.45Å; S224-K297 PolarHBondContact OG-NZ 3.37Å |
| 225 | M | 80.2 | Confident | 78.8 | Confident | 130 Ų | 130 | 45.5 Ų | 45.5 | 64% | 0.64 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -67 | -48.6 | 179 | -73.9 | 175.6 | 63.2 | 0 | 0 | 111.5 | E221 V222 V227 T228 E229 | E221-M225 WeakPolarHBondContact O-CG 3.46Å; E221-M225 PolarHBondContact O-N 3.02Å; V222-M225 PolarHBondContact O-N 2.77Å; M225-V227 PolarHBondContact O-N 2.97Å; M225-T228 WeakPolarHBondContact O-CA 3.31Å; M225-T228 WeakPolarHBondContact O-CB 3.36Å; M225-T228 PolarHBondContact O-N 3.35Å; M225-E229 PolarHBondContact O-N 3.48Å |
| 226 | L | 83.2 | Confident | 79.4 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.9 | -50.8 | 178.8 | 179.7 | 62.3 | 0 | 0 | 0 | 111.9 | L183 I210 L213 A214 V222 T228 E229 V230 M261 | L183-L226 HydrophobicContact CD1-CD1 4.2Å; L183-L226 HydrophobicContact CD2-CD1 4.4Å; I210-L226 HydrophobicContact CD1-CD1 3.68Å; I210-L226 HydrophobicContact CG2-CD1 4.42Å; L213-L226 HydrophobicContact CB-CD2 4.16Å; A214-L226 HydrophobicContact CB-CD2 4.18Å; V222-L226 VanDerWaalsContact O-CB 3.3Å; V222-L226 WeakPolarHBondContact O-CB 3.4Å; V222-L226 PolarHBondContact O-N 2.9Å; L226-T228 VanDerWaalsContact C-N 3.26Å; L226-T228 PolarHBondContact O-N 3.1Å; L226-E229 PolarHBondContact O-N 2.89Å; L226-V230 HydrophobicContact CD1-CG2 4.46Å; L226-V230 WeakPolarHBondContact O-CG2 3.2Å; L226-V230 PolarHBondContact O-N 2.93Å; L226-M261 HydrophobicContact CD2-CE 3.92Å; L226-M261 HydrophobicContact CD2-CG 4.37Å; L226-M261 HydrophobicContact CD2-SD 4.42Å; L226-M261 HydrophobicContact CG-CE 3.82Å; L226-M261 HydrophobicContact CG-SD 4.32Å |
| 227 | V | 83.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.7 | -31.3 | 177.1 | 177.1 | 0 | 0 | 0 | 0 | 111.7 | L223 M225 K231 M261 I290 W293 I294 K297 | L223-V227 VanDerWaalsContact O-CG2 3.31Å; L223-V227 WeakPolarHBondContact O-CG2 3.39Å; L223-V227 PolarHBondContact O-N 3.37Å; L223-V227 VanDerWaalsContact O-N 3.11Å; M225-V227 PolarHBondContact O-N 2.97Å; V227-K231 WeakPolarHBondContact O-CB 3.21Å; V227-K231 PolarHBondContact O-N 3.04Å; V227-K231 VanDerWaalsContact O-N 3.1Å; V227-M261 HydrophobicContact CG2-CE 3.69Å; V227-I290 HydrophobicContact CG2-CG1 4.31Å; V227-W293 HydrophobicContact CB-CB 4.45Å; V227-W293 HydrophobicContact CG2-CB 4.06Å; V227-I294 HydrophobicContact CG1-CG1 4.25Å; V227-I294 HydrophobicContact CG2-CG1 4.12Å; V227-K297 HydrophobicContact CB-CG 4.41Å; V227-K297 HydrophobicContact CG1-CB 3.85Å; V227-K297 HydrophobicContact CG1-CG 3.8Å |
| 228 | T | 84.8 | Confident | 81.2 | Confident | 43 Ų | 43 | 44.8 Ų | 44.8 | 26% | 0.264 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -69 | -46.8 | 176.7 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | S224 M225 L226 K231 L232 K297 | S224-T228 WeakPolarHBondContact O-CB 3.32Å; S224-T228 PolarHBondContact O-N 3Å; S224-T228 VanDerWaalsContact O-N 3.12Å; S224-T228 PolarHBondContact O-OG1 2.87Å; M225-T228 WeakPolarHBondContact O-CA 3.31Å; M225-T228 WeakPolarHBondContact O-CB 3.36Å; M225-T228 PolarHBondContact O-N 3.35Å; L226-T228 VanDerWaalsContact C-N 3.26Å; L226-T228 PolarHBondContact O-N 3.1Å; T228-K231 WeakPolarHBondContact O-CB 3.32Å; T228-K231 PolarHBondContact O-N 3.41Å; T228-L232 HydrophobicContact CG2-CD1 4.12Å; T228-L232 VanDerWaalsContact O-CG 3.32Å; T228-L232 WeakPolarHBondContact O-CG 3.24Å; T228-L232 PolarHBondContact O-N 3.3Å; T228-K297 VanDerWaalsContact OG1-CE 3.25Å; T228-K297 WeakPolarHBondContact OG1-CE 3.5Å; T228-K297 PolarHBondContact OG1-NZ 3.33Å |
| 229 | E | 84.5 | Confident | 82.1 | Confident | 31 Ų | 31 | 43.5 Ų | 43.5 | 15% | 0.145 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -72.8 | -30.9 | -179.5 | -78.6 | -74.6 | -162.5 | 0 | 0 | 112.7 | S181 L183 A184 L187 M225 L226 L232 A233 R236 | S181-E229 PolarHBondContact OG-OE1 2.77Å; L183-E229 HydrophobicContact CD2-CB 3.53Å; L183-E229 HydrophobicContact CD2-CG 4.16Å; A184-E229 WeakPolarHBondContact CB-OE2 3.44Å; L187-E229 HydrophobicContact CD1-CB 4.02Å; M225-E229 PolarHBondContact O-N 3.48Å; L226-E229 PolarHBondContact O-N 2.89Å; E229-L232 PolarHBondContact O-N 3.49Å; E229-A233 VanDerWaalsContact O-CB 3.25Å; E229-A233 WeakPolarHBondContact O-CB 3.43Å; E229-A233 PolarHBondContact O-N 2.65Å; E229-R236 IonicContact OE2-CZ 2.77Å; E229-R236 IonicContact OE2-NH1 2.67Å; E229-R236 PolarHBondContact OE2-NH1 3.4Å; E229-R236 IonicContact OE2-NH2 3.13Å |
| 230 | V | 87.1 | Confident | 82.7 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.3 | -42.1 | 169.6 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | L187 L226 A233 L234 I254 V258 M261 L299 | L187-V230 HydrophobicContact CD1-CG2 4.01Å; L226-V230 HydrophobicContact CD1-CG2 4.46Å; L226-V230 WeakPolarHBondContact O-CG2 3.2Å; L226-V230 PolarHBondContact O-N 2.93Å; V230-A233 PolarHBondContact O-N 2.68Å; V230-L234 WeakPolarHBondContact O-CB 3.44Å; V230-L234 PolarHBondContact O-N 3.15Å; V230-I254 HydrophobicContact CG1-CG2 4.25Å; V230-V258 HydrophobicContact CG1-CG2 4.37Å; V230-M261 HydrophobicContact CG2-SD 3.97Å; V230-L299 HydrophobicContact CG1-CD2 4.37Å |
| 231 | K | 87.5 | Confident | 83.1 | Confident | 42 Ų | 42 | 42.9 Ų | 42.9 | 18% | 0.183 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60 | -46.2 | 171.6 | 176.1 | 178.9 | -179.4 | 101.7 | 0 | 111.8 | V227 T228 L234 L235 K297 L299 D302 | V227-K231 WeakPolarHBondContact O-CB 3.21Å; V227-K231 PolarHBondContact O-N 3.04Å; V227-K231 VanDerWaalsContact O-N 3.1Å; T228-K231 WeakPolarHBondContact O-CB 3.32Å; T228-K231 PolarHBondContact O-N 3.41Å; K231-L234 PolarHBondContact O-N 2.84Å; K231-L235 HydrophobicContact CG-CD1 4.28Å; K231-L235 WeakPolarHBondContact O-CG 3.45Å; K231-L235 PolarHBondContact O-N 3.33Å; K231-K297 WeakPolarHBondContact CD-O 3.48Å; K231-K297 WeakPolarHBondContact CE-O 3.39Å; K231-K297 PolarHBondContact NZ-O 3.46Å; K231-L299 HydrophobicContact CB-CD1 4.11Å; K231-D302 WeakPolarHBondContact CE-OD2 3.35Å; K231-D302 WeakPolarHBondContact CG-OD2 3.3Å; K231-D302 IonicContact NZ-OD1 3.51Å; K231-D302 PolarHBondContact NZ-OD1 3.45Å; K231-D302 IonicContact NZ-OD2 3.46Å; K231-D302 PolarHBondContact NZ-OD2 2.88Å |
| 232 | L | 85.1 | Confident | 83 | Confident | 74 Ų | 74 | 41.4 Ų | 41.4 | 39% | 0.387 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66.7 | -39.3 | 178.7 | -68.5 | 171.7 | 0 | 0 | 0 | 111.8 | T228 E229 L235 R236 | T228-L232 HydrophobicContact CG2-CD1 4.12Å; T228-L232 VanDerWaalsContact O-CG 3.32Å; T228-L232 WeakPolarHBondContact O-CG 3.24Å; T228-L232 PolarHBondContact O-N 3.3Å; E229-L232 PolarHBondContact O-N 3.49Å; L232-L235 PolarHBondContact O-N 3.02Å; L232-R236 WeakPolarHBondContact O-CB 3.35Å; L232-R236 VanDerWaalsContact O-CG 3.24Å; L232-R236 WeakPolarHBondContact O-CG 3.42Å; L232-R236 PolarHBondContact O-N 2.84Å |
| 233 | A | 85.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.8 | -43.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L187 E229 V230 R236 A237 I254 | L187-A233 HydrophobicContact CB-CB 4.11Å; L187-A233 HydrophobicContact CD1-CB 4.02Å; E229-A233 VanDerWaalsContact O-CB 3.25Å; E229-A233 WeakPolarHBondContact O-CB 3.43Å; E229-A233 PolarHBondContact O-N 2.65Å; V230-A233 PolarHBondContact O-N 2.68Å; A233-R236 PolarHBondContact O-N 3.03Å; A233-A237 WeakPolarHBondContact O-CB 3.24Å; A233-A237 PolarHBondContact O-N 2.86Å; A233-I254 HydrophobicContact CB-CD1 3.92Å; A233-I254 HydrophobicContact CB-CG1 4.36Å; A233-I254 HydrophobicContact CB-CG2 4.41Å; A233-I254 WeakPolarHBondContact O-CD1 3.42Å |
| 234 | L | 88.3 | Confident | 82.4 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.7 | -47.9 | 174.8 | 179.7 | 61.7 | 0 | 0 | 0 | 110.9 | V230 K231 R236 A237 L238 I251 I254 L299 D302 L303 | V230-L234 WeakPolarHBondContact O-CB 3.44Å; V230-L234 PolarHBondContact O-N 3.15Å; K231-L234 PolarHBondContact O-N 2.84Å; L234-R236 PolarHBondContact O-N 3.23Å; L234-A237 WeakPolarHBondContact O-CB 3.48Å; L234-A237 PolarHBondContact O-N 3.07Å; L234-A237 VanDerWaalsContact O-N 3.11Å; L234-L238 HydrophobicContact CD1-CD1 4.19Å; L234-L238 HydrophobicContact CD1-CG 4.21Å; L234-L238 HydrophobicContact CG-CD1 3.93Å; L234-L238 HydrophobicContact CG-CG 4.39Å; L234-L238 VanDerWaalsContact O-CG 3.31Å; L234-L238 WeakPolarHBondContact O-CG 3.35Å; L234-L238 PolarHBondContact O-N 3.34Å; L234-I251 HydrophobicContact CD1-CG2 4.21Å; L234-I254 HydrophobicContact CB-CG2 4.09Å; L234-L299 HydrophobicContact CD2-CD1 4.2Å; L234-D302 HydrophobicContact CD2-CB 4.24Å; L234-L303 HydrophobicContact CD2-CD2 3.85Å; L234-L303 HydrophobicContact CD2-CG 4.3Å |
| 235 | L | 85.6 | Confident | 81.8 | Confident | 59 Ų | 59 | 54.5 Ų | 54.5 | 31% | 0.309 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 175.6 | -69 | 169.7 | 0 | 0 | 0 | 112.2 | K231 L232 A237 L238 M239 | K231-L235 HydrophobicContact CG-CD1 4.28Å; K231-L235 WeakPolarHBondContact O-CG 3.45Å; K231-L235 PolarHBondContact O-N 3.33Å; L232-L235 PolarHBondContact O-N 3.02Å; L235-A237 VanDerWaalsContact C-N 3.25Å; L235-A237 PolarHBondContact O-N 3.27Å; L235-L238 PolarHBondContact O-N 3.08Å; L235-M239 WeakPolarHBondContact O-CB 3.37Å; L235-M239 VanDerWaalsContact O-CG 3.28Å; L235-M239 WeakPolarHBondContact O-CG 3.4Å; L235-M239 PolarHBondContact O-N 3.39Å; L235-M239 VanDerWaalsContact O-N 3.07Å |
| 236 | R | 84.8 | Confident | 81.7 | Confident | 64 Ų | 64 | 54.2 Ų | 54.2 | 24% | 0.242 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.9 | -34.1 | 173.9 | -71 | -177.2 | -52.2 | -111.6 | 9.3 | 111.9 | D188 E229 L232 A233 L234 | D188-R236 VanDerWaalsContact CG-NE 3.33Å; D188-R236 VanDerWaalsContact CG-NH2 3.34Å; D188-R236 IonicContact OD1-CZ 2.71Å; D188-R236 VanDerWaalsContact OD1-CZ 3.29Å; D188-R236 IonicContact OD1-NE 3.03Å; D188-R236 PolarHBondContact OD1-NE 2.95Å; D188-R236 IonicContact OD1-NH2 3.8Å; D188-R236 PolarHBondContact OD1-NH2 3.16Å; D188-R236 IonicContact OD2-CZ 2.62Å; D188-R236 IonicContact OD2-NE 3.24Å; D188-R236 PolarHBondContact OD2-NE 3.44Å; D188-R236 IonicContact OD2-NH2 3.78Å; D188-R236 PolarHBondContact OD2-NH2 3.09Å; E229-R236 IonicContact OE2-CZ 2.77Å; E229-R236 IonicContact OE2-NH1 2.67Å; E229-R236 PolarHBondContact OE2-NH1 3.4Å; E229-R236 IonicContact OE2-NH2 3.13Å; L232-R236 WeakPolarHBondContact O-CB 3.35Å; L232-R236 VanDerWaalsContact O-CG 3.24Å; L232-R236 WeakPolarHBondContact O-CG 3.42Å; L232-R236 PolarHBondContact O-N 2.84Å; A233-R236 PolarHBondContact O-N 3.03Å; L234-R236 PolarHBondContact O-N 3.23Å |
| 237 | A | 85.2 | Confident | 81.8 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -78.3 | -39.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A233 L234 L235 M239 L240 R250 I251 I254 | A233-A237 WeakPolarHBondContact O-CB 3.24Å; A233-A237 PolarHBondContact O-N 2.86Å; L234-A237 WeakPolarHBondContact O-CB 3.48Å; L234-A237 PolarHBondContact O-N 3.07Å; L234-A237 VanDerWaalsContact O-N 3.11Å; L235-A237 VanDerWaalsContact C-N 3.25Å; L235-A237 PolarHBondContact O-N 3.27Å; A237-M239 VanDerWaalsContact C-N 3.29Å; A237-M239 PolarHBondContact O-N 3.36Å; A237-L240 WeakPolarHBondContact O-CB 3.32Å; A237-L240 WeakPolarHBondContact O-CG 3.43Å; A237-L240 PolarHBondContact O-N 3.48Å; A237-R250 HydrophobicContact CB-CB 4.39Å; A237-R250 HydrophobicContact CB-CG 3.8Å; A237-I251 HydrophobicContact CB-CG1 3.88Å; A237-I254 HydrophobicContact CB-CD1 3.88Å |
| 238 | L | 85.5 | Confident | 81.8 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.1 | -32.5 | 177.5 | -67.8 | 169 | 0 | 0 | 0 | 112.2 | L234 L235 L240 K247 I251 V306 Y309 | L234-L238 HydrophobicContact CD1-CD1 4.19Å; L234-L238 HydrophobicContact CD1-CG 4.21Å; L234-L238 HydrophobicContact CG-CD1 3.93Å; L234-L238 HydrophobicContact CG-CG 4.39Å; L234-L238 VanDerWaalsContact O-CG 3.31Å; L234-L238 WeakPolarHBondContact O-CG 3.35Å; L234-L238 PolarHBondContact O-N 3.34Å; L235-L238 PolarHBondContact O-N 3.08Å; L238-L240 PolarHBondContact O-N 3.4Å; L238-K247 VanDerWaalsContact O-CE 3.29Å; L238-K247 WeakPolarHBondContact O-CE 3.22Å; L238-K247 PolarHBondContact O-NZ 3.12Å; L238-I251 HydrophobicContact CD2-CD1 3.77Å; L238-I251 HydrophobicContact CD2-CG1 4.32Å; L238-V306 HydrophobicContact CD1-CG2 4.27Å; L238-V306 HydrophobicContact CD2-CB 4.38Å; L238-V306 HydrophobicContact CD2-CG1 3.97Å; L238-V306 HydrophobicContact CD2-CG2 4.02Å; L238-Y309 HydrophobicContact CB-CD1 4.34Å; L238-Y309 HydrophobicContact CB-CG 4.11Å; L238-Y309 HydrophobicContact CD1-CD2 4.12Å; L238-Y309 HydrophobicContact CD1-CE2 4.48Å; L238-Y309 HydrophobicContact CD1-CG 4.49Å; L238-Y309 HydrophobicContact CD2-CD2 4.46Å; L238-Y309 HydrophobicContact CD2-CG 4.36Å |
| 239 | M | 83.2 | Confident | 81.7 | Confident | 149 Ų | 149 | 59.2 Ų | 59.2 | 73% | 0.734 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -0.3 | 175 | -67.3 | -61.9 | -65 | 0 | 0 | 114.6 | L235 A237 | L235-M239 WeakPolarHBondContact O-CB 3.37Å; L235-M239 VanDerWaalsContact O-CG 3.28Å; L235-M239 WeakPolarHBondContact O-CG 3.4Å; L235-M239 PolarHBondContact O-N 3.39Å; L235-M239 VanDerWaalsContact O-N 3.07Å; A237-M239 VanDerWaalsContact C-N 3.29Å; A237-M239 PolarHBondContact O-N 3.36Å |
| 240 | L | 82.4 | Confident | 81.7 | Confident | 30 Ų | 30 | 59.1 Ų | 59.1 | 16% | 0.157 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -66.5 | 146.5 | 171.6 | -70.6 | 170 | 0 | 0 | 0 | 111 | A237 L238 C244 Y246 K247 | A237-L240 WeakPolarHBondContact O-CB 3.32Å; A237-L240 WeakPolarHBondContact O-CG 3.43Å; A237-L240 PolarHBondContact O-N 3.48Å; L238-L240 PolarHBondContact O-N 3.4Å; L240-C244 HydrophobicContact CB-CB 4.27Å; L240-Y246 HydrophobicContact CD1-CD2 3.97Å; L240-Y246 HydrophobicContact CD1-CE2 3.7Å; L240-Y246 HydrophobicContact CD2-CE2 4Å; L240-K247 HydrophobicContact CB-CB 4.13Å; L240-K247 HydrophobicContact CB-CD 3.94Å; L240-K247 HydrophobicContact CB-CG 4.02Å; L240-K247 HydrophobicContact CD1-CB 4.18Å; L240-K247 HydrophobicContact CD1-CG 4.44Å; L240-K247 WeakPolarHBondContact O-CD 3.4Å; L240-K247 WeakPolarHBondContact O-CE 3.36Å; L240-K247 PolarHBondContact O-NZ 3.4Å |
| 241 | P | 79.3 | Confident | 81.7 | Confident | 76 Ų | 76 | 59.1 Ų | 59.1 | 49% | 0.494 | 28% | 0.284 | S | S | . | . | trans | -53.8 | 148.7 | 174.7 | -28.5 | 36.7 | 0 | 0 | 0 | 113.5 | N243 C244 | P241-N243 WeakPolarHBondContact CB-OD1 3.33Å; P241-N243 PolarHBondContact O-N 2.77Å; P241-C244 HydrophobicContact CB-CB 4.49Å; P241-C244 WeakPolarHBondContact O-CB 3.29Å; P241-C244 PolarHBondContact O-N 3.4Å | ||
| 242 | H | 70.9 | Confident | 81.6 | Confident | 122 Ų | 122 | 60.1 Ų | 60.1 | 57% | 0.565 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -23 | -178.9 | -66.9 | -85.4 | 0 | 0 | 0 | 113.9 | C244 Y309 | H242-C244 VanDerWaalsContact C-N 3.29Å; H242-Y309 PolarHBondContact CE1-O 2.96Å; H242-Y309 VanDerWaalsContact CE1-O 3.31Å |
| 243 | N | 67 | Low | 81.6 | Confident | 141 Ų | 141 | 57.5 Ų | 57.5 | 75% | 0.754 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 7.9 | 174 | 63.9 | -23.7 | 0 | 0 | 0 | 113.7 | P241 L245 | P241-N243 WeakPolarHBondContact CB-OD1 3.33Å; P241-N243 PolarHBondContact O-N 2.77Å; N243-L245 PolarHBondContact O-N 3.17Å |
| 244 | C | 75.7 | Confident | 81.6 | Confident | 15 Ų | 15 | 57.7 Ų | 57.7 | 10% | 0.101 | 28% | 0.28 | C | S | . | . | trans | -81.7 | 103.4 | -179.7 | 179.7 | 0 | 0 | 0 | 0 | 111 | L240 P241 H242 Y246 K247 | L240-C244 HydrophobicContact CB-CB 4.27Å; P241-C244 HydrophobicContact CB-CB 4.49Å; P241-C244 WeakPolarHBondContact O-CB 3.29Å; P241-C244 PolarHBondContact O-N 3.4Å; H242-C244 VanDerWaalsContact C-N 3.29Å; C244-Y246 PolarHBondContact O-N 3.29Å; C244-Y246 VanDerWaalsContact O-N 3.1Å; C244-Y246 VanDerWaalsContact SG-CD2 3.55Å; C244-Y246 WeakPolarHBondContact SG-CE1 3.45Å; C244-Y246 WeakPolarHBondContact SG-CE2 3.28Å; C244-K247 HydrophobicContact CB-CB 4.04Å; C244-K247 WeakPolarHBondContact O-CB 3.49Å; C244-K247 PolarHBondContact O-N 3.29Å | ||
| 245 | L | 68 | Low | 81.5 | Confident | 158 Ų | 158 | 57.8 Ų | 57.8 | 83% | 0.827 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -35.3 | -178.3 | -64.5 | 173.7 | 0 | 0 | 0 | 113.9 | N243 | N243-L245 PolarHBondContact O-N 3.17Š|
| 246 | Y | 78 | Confident | 81.4 | Confident | 124 Ų | 124 | 57.1 Ų | 57.1 | 49% | 0.486 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -86.2 | -1.7 | 179.3 | 61.8 | -99.6 | 0 | 0 | 0 | 114.5 | L240 C244 R249 R250 | L240-Y246 HydrophobicContact CD1-CD2 3.97Å; L240-Y246 HydrophobicContact CD1-CE2 3.7Å; L240-Y246 HydrophobicContact CD2-CE2 4Å; C244-Y246 PolarHBondContact O-N 3.29Å; C244-Y246 VanDerWaalsContact O-N 3.1Å; C244-Y246 VanDerWaalsContact SG-CD2 3.55Å; C244-Y246 WeakPolarHBondContact SG-CE1 3.45Å; C244-Y246 WeakPolarHBondContact SG-CE2 3.28Å; Y246-R249 PolarHBondContact O-N 2.93Å; Y246-R250 VanDerWaalsContact O-CB 3.25Å; Y246-R250 WeakPolarHBondContact O-CB 3.35Å; Y246-R250 PolarHBondContact O-N 2.9Å |
| 247 | K | 85.2 | Confident | 81.3 | Confident | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.1 | -52.9 | 179.3 | 178.1 | 170.7 | -175.6 | 170.5 | 0 | 111.6 | L238 L240 C244 R250 I251 Y309 | L238-K247 VanDerWaalsContact O-CE 3.29Å; L238-K247 WeakPolarHBondContact O-CE 3.22Å; L238-K247 PolarHBondContact O-NZ 3.12Å; L240-K247 HydrophobicContact CB-CB 4.13Å; L240-K247 HydrophobicContact CB-CD 3.94Å; L240-K247 HydrophobicContact CB-CG 4.02Å; L240-K247 HydrophobicContact CD1-CB 4.18Å; L240-K247 HydrophobicContact CD1-CG 4.44Å; L240-K247 WeakPolarHBondContact O-CD 3.4Å; L240-K247 WeakPolarHBondContact O-CE 3.36Å; L240-K247 PolarHBondContact O-NZ 3.4Å; C244-K247 HydrophobicContact CB-CB 4.04Å; C244-K247 WeakPolarHBondContact O-CB 3.49Å; C244-K247 PolarHBondContact O-N 3.29Å; K247-R250 PolarHBondContact O-N 3.24Å; K247-I251 HydrophobicContact CG-CD1 3.83Å; K247-I251 VanDerWaalsContact O-CG1 3.28Å; K247-I251 WeakPolarHBondContact O-CG1 3.4Å; K247-I251 PolarHBondContact O-N 3Å; K247-Y309 PolarHBondContact NZ-O 2.95Å |
| 248 | H | 84.7 | Confident | 81.1 | Confident | 12 Ų | 12 | 54.3 Ų | 54.3 | 6% | 0.056 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 179 | -67.1 | -65.6 | 0 | 0 | 0 | 112.2 | R250 I251 M252 D314 N316 T317 T320 | H248-R250 PolarHBondContact O-N 3.19Å; H248-I251 PolarHBondContact O-N 2.76Å; H248-M252 HydrophobicContact CB-CE 4.02Å; H248-M252 WeakPolarHBondContact O-CG 3.33Å; H248-M252 PolarHBondContact O-N 3.46Å; H248-D314 IonicContact CD2-OD2 2.77Å; H248-D314 IonicContact CE1-OD2 3.02Å; H248-D314 IonicContact NE2-OD2 2.65Å; H248-D314 PolarHBondContact NE2-OD2 3.45Å; H248-N316 HydrophobicContact CB-CB 4.24Å; H248-N316 WeakPolarHBondContact CD2-CB 3.45Å; H248-T317 PolarHBondContact CE1-OG1 2.9Å; H248-T317 VanDerWaalsContact CE1-OG1 3.26Å; H248-T320 VanDerWaalsContact CB-OG1 3.28Å; H248-T320 WeakPolarHBondContact CB-OG1 3.29Å; H248-T320 PolarHBondContact ND1-OG1 3.35Å |
| 249 | R | 82.4 | Confident | 80.7 | Confident | 133 Ų | 133 | 55.8 Ų | 55.8 | 50% | 0.502 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 177.6 | -65.7 | -177.2 | 177.8 | 167.5 | -6.8 | 112.1 | E194 Y246 M252 A253 | E194-R249 IonicContact OE1-CZ 3.02Å; E194-R249 IonicContact OE1-NH1 3.97Å; E194-R249 PolarHBondContact OE1-NH1 3.34Å; E194-R249 IonicContact OE1-NH2 2.84Å; E194-R249 WeakPolarHBondContact OE2-CD 3.48Å; E194-R249 IonicContact OE2-CZ 2.69Å; E194-R249 IonicContact OE2-NE 3.37Å; E194-R249 IonicContact OE2-NH1 3.45Å; E194-R249 PolarHBondContact OE2-NH1 3.1Å; Y246-R249 PolarHBondContact O-N 2.93Å; R249-M252 PolarHBondContact O-N 3.49Å; R249-A253 WeakPolarHBondContact O-CB 3.49Å; R249-A253 PolarHBondContact O-N 3.26Å |
| 250 | R | 84.5 | Confident | 80.5 | Confident | 29 Ų | 29 | 50.4 Ų | 50.4 | 11% | 0.109 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64 | -43 | 176.1 | -171.6 | -178.5 | -175.3 | 114.8 | -2.5 | 112.2 | D188 I192 A237 Y246 K247 H248 A253 I254 | D188-R250 VanDerWaalsContact O-CZ 3.28Å; D188-R250 PolarHBondContact O-NH1 3.16Å; D188-R250 PolarHBondContact O-NH2 3.15Å; D188-R250 VanDerWaalsContact O-NH2 3.14Å; D188-R250 IonicContact OD1-NH2 2.63Å; D188-R250 PolarHBondContact OD1-NH2 2.86Å; D188-R250 IonicContact OD2-NH2 3.12Å; I192-R250 HydrophobicContact CD1-CB 3.82Å; I192-R250 HydrophobicContact CD1-CG 4.07Å; A237-R250 HydrophobicContact CB-CB 4.39Å; A237-R250 HydrophobicContact CB-CG 3.8Å; Y246-R250 VanDerWaalsContact O-CB 3.25Å; Y246-R250 WeakPolarHBondContact O-CB 3.35Å; Y246-R250 PolarHBondContact O-N 2.9Å; K247-R250 PolarHBondContact O-N 3.24Å; H248-R250 PolarHBondContact O-N 3.19Å; R250-A253 PolarHBondContact O-N 2.96Å; R250-I254 HydrophobicContact CG-CD1 3.89Å; R250-I254 WeakPolarHBondContact O-CD1 3.49Å; R250-I254 VanDerWaalsContact O-CG1 3.29Å; R250-I254 WeakPolarHBondContact O-CG1 3.45Å; R250-I254 PolarHBondContact O-N 3.43Å |
| 251 | I | 86.6 | Confident | 80.3 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.1 | -48.5 | 175.7 | -65.9 | 163.6 | 0 | 0 | 0 | 109.9 | L234 A237 L238 K247 H248 A253 I254 V255 L310 T320 | L234-I251 HydrophobicContact CD1-CG2 4.21Å; A237-I251 HydrophobicContact CB-CG1 3.88Å; L238-I251 HydrophobicContact CD2-CD1 3.77Å; L238-I251 HydrophobicContact CD2-CG1 4.32Å; K247-I251 HydrophobicContact CG-CD1 3.83Å; K247-I251 VanDerWaalsContact O-CG1 3.28Å; K247-I251 WeakPolarHBondContact O-CG1 3.4Å; K247-I251 PolarHBondContact O-N 3Å; H248-I251 PolarHBondContact O-N 2.76Å; I251-A253 VanDerWaalsContact C-N 3.35Å; I251-A253 PolarHBondContact O-N 3.02Å; I251-I254 PolarHBondContact O-N 3.44Å; I251-V255 HydrophobicContact CG2-CG2 4.1Å; I251-V255 WeakPolarHBondContact O-CB 3.2Å; I251-V255 WeakPolarHBondContact O-CG2 3.19Å; I251-V255 PolarHBondContact O-N 3.06Å; I251-L310 HydrophobicContact CD1-CD2 3.88Å; I251-T320 HydrophobicContact CB-CG2 3.99Å; I251-T320 HydrophobicContact CD1-CG2 4.46Å; I251-T320 HydrophobicContact CG2-CG2 3.54Å |
| 252 | M | 86.3 | Confident | 79.9 | Confident | 63 Ų | 63 | 47.8 Ų | 47.8 | 31% | 0.31 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.7 | -42.3 | 177 | -74 | -171.5 | -103 | 0 | 0 | 112.7 | H248 R249 V255 S256 A323 | H248-M252 HydrophobicContact CB-CE 4.02Å; H248-M252 WeakPolarHBondContact O-CG 3.33Å; H248-M252 PolarHBondContact O-N 3.46Å; R249-M252 PolarHBondContact O-N 3.49Å; M252-V255 PolarHBondContact O-N 3.43Å; M252-S256 WeakPolarHBondContact O-CB 3.28Å; M252-S256 PolarHBondContact O-N 3.47Å; M252-A323 HydrophobicContact CG-CB 4.03Å |
| 253 | A | 83.4 | Confident | 79.8 | Confident | 19 Ų | 19 | 44.4 Ų | 44.4 | 16% | 0.157 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.6 | -47.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L191 R249 R250 I251 S256 L257 | L191-A253 HydrophobicContact CB-CB 4.4Å; R249-A253 WeakPolarHBondContact O-CB 3.49Å; R249-A253 PolarHBondContact O-N 3.26Å; R250-A253 PolarHBondContact O-N 2.96Å; I251-A253 VanDerWaalsContact C-N 3.35Å; I251-A253 PolarHBondContact O-N 3.02Å; A253-S256 WeakPolarHBondContact O-CB 3.49Å; A253-S256 PolarHBondContact O-N 2.82Å; A253-S256 PolarHBondContact O-OG 2.96Å; A253-L257 PolarHBondContact O-N 3.38Å |
| 254 | I | 87.2 | Confident | 79.7 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.4 | -39.6 | 178.6 | -65.1 | 162.7 | 0 | 0 | 0 | 111.2 | L191 V230 A233 L234 A237 R250 I251 S256 L257 | L191-I254 HydrophobicContact CD1-CG1 4.27Å; V230-I254 HydrophobicContact CG1-CG2 4.25Å; A233-I254 HydrophobicContact CB-CD1 3.92Å; A233-I254 HydrophobicContact CB-CG1 4.36Å; A233-I254 HydrophobicContact CB-CG2 4.41Å; A233-I254 WeakPolarHBondContact O-CD1 3.42Å; L234-I254 HydrophobicContact CB-CG2 4.09Å; A237-I254 HydrophobicContact CB-CD1 3.88Å; R250-I254 HydrophobicContact CG-CD1 3.89Å; R250-I254 WeakPolarHBondContact O-CD1 3.49Å; R250-I254 VanDerWaalsContact O-CG1 3.29Å; R250-I254 WeakPolarHBondContact O-CG1 3.45Å; R250-I254 PolarHBondContact O-N 3.43Å; I251-I254 PolarHBondContact O-N 3.44Å; I254-S256 VanDerWaalsContact C-N 3.3Å; I254-S256 PolarHBondContact O-N 3.43Å; I254-L257 PolarHBondContact O-N 3.42Å |
| 255 | V | 85.8 | Confident | 78.9 | Confident | 5 Ų | 5 | 37.6 Ų | 37.6 | 3% | 0.03 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.3 | -34.9 | 174.8 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | I251 M252 L257 V258 L303 A323 V324 A327 | I251-V255 HydrophobicContact CG2-CG2 4.1Å; I251-V255 WeakPolarHBondContact O-CB 3.2Å; I251-V255 WeakPolarHBondContact O-CG2 3.19Å; I251-V255 PolarHBondContact O-N 3.06Å; M252-V255 PolarHBondContact O-N 3.43Å; V255-L257 VanDerWaalsContact C-N 3.3Å; V255-L257 PolarHBondContact O-N 2.89Å; V255-V258 VanDerWaalsContact O-CB 3.31Å; V255-V258 WeakPolarHBondContact O-CB 3.31Å; V255-V258 PolarHBondContact O-N 3.23Å; V255-V258 VanDerWaalsContact O-N 3.14Å; V255-L303 HydrophobicContact CG2-CD2 3.92Å; V255-A323 HydrophobicContact CG1-CB 4.46Å; V255-A323 WeakPolarHBondContact CG1-O 3.41Å; V255-V324 HydrophobicContact CG2-CG2 3.96Å; V255-A327 HydrophobicContact CG1-CB 3.66Å |
| 256 | S | 82.7 | Confident | 78.2 | Confident | 45 Ų | 45 | 33.7 Ų | 33.7 | 32% | 0.315 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -62.5 | -35.8 | 176.2 | 82 | 0 | 0 | 0 | 0 | 112.7 | M252 A253 I254 V258 T259 V260 | M252-S256 WeakPolarHBondContact O-CB 3.28Å; M252-S256 PolarHBondContact O-N 3.47Å; A253-S256 WeakPolarHBondContact O-CB 3.49Å; A253-S256 PolarHBondContact O-N 2.82Å; A253-S256 PolarHBondContact O-OG 2.96Å; I254-S256 VanDerWaalsContact C-N 3.3Å; I254-S256 PolarHBondContact O-N 3.43Å; S256-V258 PolarHBondContact O-N 2.84Å; S256-T259 PolarHBondContact O-N 2.91Å; S256-T259 PolarHBondContact O-OG1 3.36Å; S256-V260 PolarHBondContact O-N 3.15Å; S256-V260 VanDerWaalsContact O-N 3.17Å |
| 257 | L | 83.9 | Confident | 76.5 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.8 | -28.4 | 176.1 | -67.7 | -173.5 | 0 | 0 | 0 | 112.8 | L187 L191 K207 I210 A253 I254 V255 T259 V260 M261 | L187-L257 HydrophobicContact CD2-CD1 3.36Å; L191-L257 HydrophobicContact CD1-CD1 3.66Å; L191-L257 HydrophobicContact CD1-CG 4.35Å; L191-L257 HydrophobicContact CD2-CD1 3.99Å; L191-L257 HydrophobicContact CD2-CD2 4.07Å; L191-L257 HydrophobicContact CD2-CG 4.25Å; L191-L257 HydrophobicContact CG-CD1 4.47Å; K207-L257 HydrophobicContact CG-CD2 4.38Å; I210-L257 HydrophobicContact CB-CD2 4.41Å; I210-L257 HydrophobicContact CG1-CD1 4.34Å; I210-L257 HydrophobicContact CG1-CD2 4.44Å; I210-L257 HydrophobicContact CG2-CD1 4.45Å; I210-L257 HydrophobicContact CG2-CD2 4.17Å; A253-L257 PolarHBondContact O-N 3.38Å; I254-L257 PolarHBondContact O-N 3.42Å; V255-L257 VanDerWaalsContact C-N 3.3Å; V255-L257 PolarHBondContact O-N 2.89Å; L257-T259 PolarHBondContact O-N 3.25Å; L257-V260 PolarHBondContact O-N 3.48Å; L257-V260 VanDerWaalsContact O-N 3.15Å; L257-M261 WeakPolarHBondContact O-CB 3.42Å; L257-M261 VanDerWaalsContact O-CG 3.22Å; L257-M261 WeakPolarHBondContact O-CG 3.36Å; L257-M261 PolarHBondContact O-N 2.92Å |
| 258 | V | 81.5 | Confident | 74.1 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 4% | 0.036 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.8 | -35 | 175.1 | -173.4 | 0 | 0 | 0 | 0 | 110.9 | V230 V255 S256 K262 L299 I331 | V230-V258 HydrophobicContact CG1-CG2 4.37Å; V255-V258 VanDerWaalsContact O-CB 3.31Å; V255-V258 WeakPolarHBondContact O-CB 3.31Å; V255-V258 PolarHBondContact O-N 3.23Å; V255-V258 VanDerWaalsContact O-N 3.14Å; S256-V258 PolarHBondContact O-N 2.84Å; V258-K262 WeakPolarHBondContact O-CB 3.31Å; V258-K262 PolarHBondContact O-N 2.96Å; V258-L299 HydrophobicContact CG2-CD2 4.34Å; V258-I331 HydrophobicContact CG1-CD1 3.72Å; V258-I331 HydrophobicContact CG1-CG1 4.31Å |
| 259 | T | 77 | Confident | 71.7 | Confident | 34 Ų | 34 | 49.1 Ų | 49.1 | 21% | 0.209 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -76.1 | -31.7 | 173.2 | 61.6 | 0 | 0 | 0 | 0 | 113.2 | S256 L257 K262 N263 | S256-T259 PolarHBondContact O-N 2.91Å; S256-T259 PolarHBondContact O-OG1 3.36Å; L257-T259 PolarHBondContact O-N 3.25Å; T259-K262 WeakPolarHBondContact O-CB 3.29Å; T259-K262 PolarHBondContact O-N 3.34Å; T259-N263 PolarHBondContact O-N 3.41Å; T259-N263 PolarHBondContact O-OD1 3.39Å |
| 260 | V | 78.3 | Confident | 69.1 | Low | 37 Ų | 37 | 46 Ų | 46 | 22% | 0.224 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.4 | -46.1 | 171.4 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | A211 S256 L257 K262 N263 A264 | A211-V260 HydrophobicContact CB-CG1 3.85Å; S256-V260 PolarHBondContact O-N 3.15Å; S256-V260 VanDerWaalsContact O-N 3.17Å; L257-V260 PolarHBondContact O-N 3.48Å; L257-V260 VanDerWaalsContact O-N 3.15Å; V260-K262 VanDerWaalsContact C-N 3.33Å; V260-K262 PolarHBondContact O-N 2.99Å; V260-N263 PolarHBondContact O-N 3.44Å; V260-N263 VanDerWaalsContact O-N 3.16Å; V260-A264 PolarHBondContact O-N 3.12Å |
| 261 | M | 77.8 | Confident | 66.4 | Low | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.3 | -36.6 | 176.6 | -72.2 | 169.1 | 68.4 | 0 | 0 | 112.5 | I210 A214 L226 V227 V230 L257 I290 | I210-M261 HydrophobicContact CG2-CG 3.99Å; A214-M261 HydrophobicContact CB-CB 4.31Å; A214-M261 HydrophobicContact CB-CG 4.18Å; L226-M261 HydrophobicContact CD2-CE 3.92Å; L226-M261 HydrophobicContact CD2-CG 4.37Å; L226-M261 HydrophobicContact CD2-SD 4.42Å; L226-M261 HydrophobicContact CG-CE 3.82Å; L226-M261 HydrophobicContact CG-SD 4.32Å; V227-M261 HydrophobicContact CG2-CE 3.69Å; V230-M261 HydrophobicContact CG2-SD 3.97Å; L257-M261 WeakPolarHBondContact O-CB 3.42Å; L257-M261 VanDerWaalsContact O-CG 3.22Å; L257-M261 WeakPolarHBondContact O-CG 3.36Å; L257-M261 PolarHBondContact O-N 2.92Å; M261-I290 HydrophobicContact CB-CD1 3.81Å; M261-I290 HydrophobicContact CE-CD1 3.83Å; M261-I290 HydrophobicContact CE-CG1 4.17Å; M261-I290 HydrophobicContact CG-CD1 4.26Å |
| 262 | K | 71.4 | Confident | 63.7 | Low | 50 Ų | 50 | 56.1 Ų | 56.1 | 22% | 0.217 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.1 | -53.5 | 168.8 | 166.6 | -134 | 151.6 | -153.5 | 0 | 110.8 | V258 T259 V260 A264 D330 F334 D755 | V258-K262 WeakPolarHBondContact O-CB 3.31Å; V258-K262 PolarHBondContact O-N 2.96Å; T259-K262 WeakPolarHBondContact O-CB 3.29Å; T259-K262 PolarHBondContact O-N 3.34Å; V260-K262 VanDerWaalsContact C-N 3.33Å; V260-K262 PolarHBondContact O-N 2.99Å; K262-A264 VanDerWaalsContact C-N 3.32Å; K262-A264 PolarHBondContact O-N 3.01Å; K262-D330 HydrophobicContact CD-CB 4.5Å; K262-F334 HydrophobicContact CD-CE2 3.68Å; K262-F334 HydrophobicContact CD-CZ 4.29Å; K262-F334 VanDerWaalsContact CE-CE2 3.44Å; K262-F334 HydrophobicContact CG-CD2 4.1Å; K262-F334 HydrophobicContact CG-CE2 3.58Å; K262-F334 HydrophobicContact CG-CZ 4.26Å; K262-D755 IonicContact NZ-OD2 2.73Å; K262-D755 PolarHBondContact NZ-OD2 3.35Å; K262-D755 VanDerWaalsContact NZ-OD2 3.17Å |
| 263 | N | 69 | Low | 61 | Low | 51 Ų | 51 | 61.7 Ų | 61.7 | 27% | 0.273 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68.4 | -26.9 | -171.1 | -77.8 | 19.2 | 0 | 0 | 0 | 114.1 | T259 V260 C265 D755 H758 | T259-N263 PolarHBondContact O-N 3.41Å; T259-N263 PolarHBondContact O-OD1 3.39Å; V260-N263 PolarHBondContact O-N 3.44Å; V260-N263 VanDerWaalsContact O-N 3.16Å; N263-C265 VanDerWaalsContact C-N 3.31Å; N263-C265 PolarHBondContact O-N 3.23Å; N263-D755 PolarHBondContact ND2-OD1 3.39Å; N263-D755 PolarHBondContact ND2-OD2 3.05Å; N263-D755 VanDerWaalsContact ND2-OD2 3.14Å; N263-D755 PolarHBondContact OD1-OD2 2.82Å; N263-H758 PolarHBondContact O-CD2 3.03Å; N263-H758 PolarHBondContact O-NE2 3.26Å |
| 264 | A | 65.6 | Low | 58.4 | Low | 7 Ų | 7 | 67.4 Ų | 67.4 | 6% | 0.058 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -5.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | A211 A214 A215 V260 K262 P266 | A211-A264 HydrophobicContact CB-CB 4.11Å; A211-A264 WeakPolarHBondContact O-CB 3.47Å; A214-A264 HydrophobicContact CB-CB 3.95Å; A215-A264 HydrophobicContact CB-CB 4.49Å; A215-A264 WeakPolarHBondContact CB-O 3.41Å; V260-A264 PolarHBondContact O-N 3.12Å; K262-A264 VanDerWaalsContact C-N 3.32Å; K262-A264 PolarHBondContact O-N 3.01Å; A264-P266 WeakPolarHBondContact O-CD 3.45Å |
| 265 | C | 58.3 | Low | 55.5 | Low | 5 Ų | 5 | 77.9 Ų | 77.9 | 3% | 0.034 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -101.1 | 105.6 | 179.7 | -80.7 | 0 | 0 | 0 | 0 | 111.6 | A214 N263 W267 I290 | A214-C265 PolarHBondContact O-SG 3.15Å; N263-C265 VanDerWaalsContact C-N 3.31Å; N263-C265 PolarHBondContact O-N 3.23Å; C265-W267 PolarHBondContact O-N 3.38Å; C265-I290 HydrophobicContact CB-CG2 4.36Å; C265-I290 VanDerWaalsContact SG-CG2 3.5Å |
| 266 | P | 52.7 | Low | 52.8 | Low | 77 Ų | 77 | 83.8 Ų | 83.8 | 50% | 0.5 | 44% | 0.435 | S | S | . | . | trans | -67.9 | 130.5 | 176.6 | 28.3 | -34.1 | 0 | 0 | 0 | 111.2 | A264 | A264-P266 WeakPolarHBondContact O-CD 3.45Š| ||
| 267 | W | 42.3 | Very low | 50.2 | Low | 103 Ų | 103 | 87.8 Ų | 87.8 | 39% | 0.39 | 45% | 0.449 | S | S | . | . | trans | -77.4 | 151.4 | 174.8 | -72.7 | 74.7 | 0 | 0 | 0 | 111.2 | C265 N288 F334 | C265-W267 PolarHBondContact O-N 3.38Å; W267-N288 HydrophobicContact CZ2-CB 4.46Å; W267-N288 PolarHBondContact NE1-ND2 3.27Å; W267-N288 VanDerWaalsContact NE1-ND2 3.15Å; W267-F334 AromaticContact CE2-CD1 3.8Å; W267-F334 HydrophobicContact CH2-CB 4.22Å; W267-F334 AromaticContact CH2-CD1 3.95Å; W267-F334 HydrophobicContact CH2-CD1 3.95Å; W267-F334 HydrophobicContact CH2-CG 4.49Å; W267-F334 HydrophobicContact CZ2-CB 3.93Å; W267-F334 AromaticContact CZ2-CD1 3.24Å; W267-F334 HydrophobicContact CZ2-CD1 3.24Å; W267-F334 HydrophobicContact CZ2-CE1 4.03Å; W267-F334 AromaticContact CZ2-CG 3.82Å; W267-F334 HydrophobicContact CZ2-CG 3.82Å | ||
| 268 | R | 36 | Very low | 47.4 | Very low | 230 Ų | 230 | 98.8 Ų | 98.8 | 87% | 0.868 | 49% | 0.49 | S | S | * | . | trans | -108.6 | 96.4 | 164.6 | -93.9 | -172 | 166.2 | -164 | -4.6 | 108.5 | G270 | R268-G270 PolarHBondContact O-N 3Š| ||
| 269 | D | 33.6 | Very low | 44.8 | Very low | 132 Ų | 132 | 102.2 Ų | 102.2 | 71% | 0.706 | 53% | 0.527 | S | S | * | . | trans | -72.5 | 121.9 | 170.1 | -70.7 | -52.7 | 0 | 0 | 0 | 110 | N271 | D269-N271 PolarHBondContact O-N 2.77Š| ||
| 270 | G | 27.4 | Very low | 42.3 | Very low | 69 Ų | 69 | 106.3 Ų | 106.3 | 71% | 0.711 | 56% | 0.564 | S | S | * | * | trans | -96.7 | 71.2 | -172 | 0 | 0 | 0 | 0 | 0 | 112.7 | R268 | R268-G270 PolarHBondContact O-N 3Š| ||
| 271 | N | 28.3 | Very low | 39.9 | Very low | 128 Ų | 128 | 107.7 Ų | 107.7 | 68% | 0.684 | 59% | 0.586 | S | S | * | * | trans | -149.6 | 90.1 | 171.4 | -151.2 | 32.9 | 0 | 0 | 0 | 114.2 | D269 | D269-N271 PolarHBondContact O-N 2.77Š| ||
| 272 | S | 29 | Very low | 37.4 | Very low | 113 Ų | 113 | 116.7 Ų | 116.7 | 79% | 0.79 | 63% | 0.628 | S | S | * | * | trans | -160.9 | 132.3 | 158.7 | -83.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 273 | Q | 29.7 | Very low | 35.4 | Very low | 179 Ų | 179 | 122.3 Ų | 122.3 | 84% | 0.836 | 66% | 0.655 | S | S | * | * | trans | -120.9 | 117.7 | 179.2 | -76.5 | -169.6 | -17.3 | 0 | 0 | 111.5 | ||||
| 274 | N | 29.5 | Very low | 33.5 | Very low | 140 Ų | 140 | 126.7 Ų | 126.7 | 75% | 0.749 | 68% | 0.683 | S | S | * | * | trans | -154.2 | 112.4 | 135.9 | -94.7 | -40.4 | 0 | 0 | 0 | 106 | ||||
| 275 | R | 26.4 | Very low | 31.8 | Very low | 224 Ų | 224 | 130 Ų | 130 | 85% | 0.845 | 72% | 0.717 | S | S | * | * | 49.6 | 108.2 | 86.3 | -72.1 | -177.7 | 164.4 | 178.6 | -3.3 | 109.8 | |||||
| 276 | D | 28.5 | Very low | 30.9 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 68% | 0.684 | 76% | 0.755 | S | S | * | * | -149.2 | 157.3 | 56.9 | -147.7 | -2.2 | 0 | 0 | 0 | 117.1 | |||||
| 277 | Q | 28.9 | Very low | 30.8 | Very low | 130 Ų | 130 | 140 Ų | 140 | 61% | 0.607 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 51.7 | 111 | 156.1 | -81.5 | 168.9 | 86.1 | 0 | 0 | 123.1 | ||
| 278 | R | 24.2 | Very low | 31.6 | Very low | 231 Ų | 231 | 136 Ų | 136 | 87% | 0.872 | 75% | 0.747 | S | S | * | * | trans | 81.7 | 86.9 | 147.2 | -53.3 | 176.3 | -164.9 | -167.7 | 6.6 | 119.1 | ||||
| 279 | G | 27.9 | Very low | 33 | Very low | 78 Ų | 78 | 126.3 Ų | 126.3 | 80% | 0.804 | 71% | 0.714 | S | S | * | * | trans | 173.8 | 63 | 164.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G281 | G279-G281 PolarHBondContact O-N 3.34Å; G279-G281 VanDerWaalsContact O-N 3.14Å | ||
| 280 | A | 24.6 | Very low | 34.9 | Very low | 119 Ų | 119 | 120.1 Ų | 120.1 | 98% | 0.983 | 68% | 0.681 | S | S | * | * | trans | -76.6 | 100.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 281 | G | 26.8 | Very low | 36.9 | Very low | 67 Ų | 67 | 117.8 Ų | 117.8 | 69% | 0.691 | 65% | 0.653 | S | S | * | * | trans | -143.2 | 138 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G279 H283 | G279-G281 PolarHBondContact O-N 3.34Å; G279-G281 VanDerWaalsContact O-N 3.14Å; G281-H283 PolarHBondContact O-N 3.43Å | ||
| 282 | E | 25.4 | Very low | 39 | Very low | 190 Ų | 190 | 115.9 Ų | 115.9 | 89% | 0.888 | 64% | 0.639 | S | S | * | * | trans | -65.9 | 108.5 | -165.2 | -56.6 | 165 | 125.7 | 0 | 0 | 115 | ||||
| 283 | H | 28.7 | Very low | 41.4 | Very low | 168 Ų | 168 | 111.8 Ų | 111.8 | 78% | 0.778 | 61% | 0.606 | S | S | * | * | trans | -131.9 | 79.6 | 166.3 | -83.8 | -2.2 | 0 | 0 | 0 | 112.3 | G281 | G281-H283 PolarHBondContact O-N 3.43Š| ||
| 284 | V | 30.1 | Very low | 43.6 | Very low | 142 Ų | 142 | 103.6 Ų | 103.6 | 86% | 0.861 | 57% | 0.568 | S | S | * | * | trans | -74 | 147.7 | 163.2 | 179 | 0 | 0 | 0 | 0 | 109.3 | R286 | V284-R286 PolarHBondContact O-N 3.49Š| ||
| 285 | G | 29.9 | Very low | 45.8 | Very low | 76 Ų | 76 | 101 Ų | 101 | 78% | 0.784 | 55% | 0.551 | S | S | * | * | trans | -52.2 | 123.8 | -164.3 | 0 | 0 | 0 | 0 | 0 | 116 | A287 | G285-A287 PolarHBondContact O-N 3.43Š| ||
| 286 | R | 39.5 | Very low | 48.3 | Very low | 220 Ų | 220 | 96.8 Ų | 96.8 | 83% | 0.83 | 54% | 0.539 | S | S | * | . | trans | -78.1 | 105.5 | 167.4 | -70.4 | -178.1 | -179.2 | 158.8 | 2.8 | 109.5 | V284 | V284-R286 PolarHBondContact O-N 3.49Š| ||
| 287 | A | 49.1 | Very low | 50.9 | Low | 73 Ų | 73 | 93.2 Ų | 93.2 | 60% | 0.603 | 52% | 0.517 | S | S | * | . | trans | -60.8 | 149.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | G285 S289 | G285-A287 PolarHBondContact O-N 3.43Å; A287-S289 PolarHBondContact O-N 3.08Å | ||
| 288 | N | 59.3 | Low | 53.4 | Low | 20 Ų | 20 | 94.6 Ų | 94.6 | 11% | 0.107 | 52% | 0.517 | C | S | . | . | trans | -52 | 123.1 | -175.4 | -104.4 | -23.8 | 0 | 0 | 0 | 112.7 | W267 I290 V291 K292 | W267-N288 HydrophobicContact CZ2-CB 4.46Å; W267-N288 PolarHBondContact NE1-ND2 3.27Å; W267-N288 VanDerWaalsContact NE1-ND2 3.15Å; N288-I290 PolarHBondContact O-N 3.28Å; N288-I290 VanDerWaalsContact O-N 3.09Å; N288-V291 HydrophobicContact CB-CB 4.44Å; N288-V291 HydrophobicContact CB-CG2 3.95Å; N288-V291 WeakPolarHBondContact O-CB 3.26Å; N288-V291 PolarHBondContact O-N 3.05Å; N288-K292 PolarHBondContact O-N 3.3Å | ||
| 289 | S | 65.8 | Low | 56.2 | Low | 26 Ų | 26 | 83.7 Ų | 83.7 | 18% | 0.182 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -54.3 | -35.2 | -172.6 | -54.4 | 0 | 0 | 0 | 0 | 113.3 | A287 K292 W293 | A287-S289 PolarHBondContact O-N 3.08Å; S289-K292 WeakPolarHBondContact O-CB 3.19Å; S289-W293 PolarHBondContact O-N 2.6Å |
| 290 | I | 73 | Confident | 58.8 | Low | 1 Ų | 1 | 80.3 Ų | 80.3 | 1% | 0.005 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -70.1 | -36 | 178.6 | -154.8 | 160.8 | 0 | 0 | 0 | 112.6 | A214 L223 V227 M261 C265 N288 W293 I294 | A214-I290 HydrophobicContact CB-CD1 3.59Å; L223-I290 HydrophobicContact CD2-CB 4.33Å; L223-I290 HydrophobicContact CD2-CD1 3.93Å; L223-I290 HydrophobicContact CD2-CG1 4.14Å; V227-I290 HydrophobicContact CG2-CG1 4.31Å; M261-I290 HydrophobicContact CB-CD1 3.81Å; M261-I290 HydrophobicContact CE-CD1 3.83Å; M261-I290 HydrophobicContact CE-CG1 4.17Å; M261-I290 HydrophobicContact CG-CD1 4.26Å; C265-I290 HydrophobicContact CB-CG2 4.36Å; C265-I290 VanDerWaalsContact SG-CG2 3.5Å; N288-I290 PolarHBondContact O-N 3.28Å; N288-I290 VanDerWaalsContact O-N 3.09Å; I290-W293 PolarHBondContact O-N 3.34Å; I290-I294 WeakPolarHBondContact O-CG1 3.43Å; I290-I294 PolarHBondContact O-N 2.97Å |
| 291 | V | 70.4 | Confident | 61.7 | Low | 21 Ų | 21 | 75.4 Ų | 75.4 | 13% | 0.127 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -68.3 | -41.6 | 178 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | N288 W293 I294 Q295 V335 | N288-V291 HydrophobicContact CB-CB 4.44Å; N288-V291 HydrophobicContact CB-CG2 3.95Å; N288-V291 WeakPolarHBondContact O-CB 3.26Å; N288-V291 PolarHBondContact O-N 3.05Å; V291-W293 VanDerWaalsContact C-N 3.27Å; V291-W293 PolarHBondContact O-N 3.38Å; V291-I294 PolarHBondContact O-N 2.92Å; V291-Q295 WeakPolarHBondContact O-CG 3.46Å; V291-Q295 PolarHBondContact O-N 3.28Å; V291-V335 HydrophobicContact CG1-CG2 3.64Å |
| 292 | K | 72.3 | Confident | 64.5 | Low | 88 Ų | 88 | 73.4 Ų | 73.4 | 38% | 0.383 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -54.4 | -41.1 | 170.5 | 171.6 | -171.9 | 172.2 | -167.9 | 0 | 111.7 | E220 N288 S289 K296 | E220-K292 IonicContact OE1-NZ 3.46Å; E220-K292 PolarHBondContact OE1-NZ 3.14Å; E220-K292 IonicContact OE2-NZ 3.47Å; E220-K292 PolarHBondContact OE2-NZ 2.87Å; N288-K292 PolarHBondContact O-N 3.3Å; S289-K292 WeakPolarHBondContact O-CB 3.19Å; K292-K296 WeakPolarHBondContact O-CB 3.31Å; K292-K296 PolarHBondContact O-N 2.82Å |
| 293 | W | 79.1 | Confident | 67.4 | Low | 26 Ų | 26 | 64.4 Ų | 64.4 | 10% | 0.098 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -75.3 | -38.4 | 175.8 | -76.9 | 112.2 | 0 | 0 | 0 | 113.9 | E220 S224 V227 S289 I290 V291 Q295 K296 K297 | E220-W293 HydrophobicContact CB-CZ2 4.22Å; E220-W293 PolarHBondContact O-NE1 2.9Å; S224-W293 WeakPolarHBondContact OG-CZ3 3.43Å; V227-W293 HydrophobicContact CB-CB 4.45Å; V227-W293 HydrophobicContact CG2-CB 4.06Å; S289-W293 PolarHBondContact O-N 2.6Å; I290-W293 PolarHBondContact O-N 3.34Å; V291-W293 VanDerWaalsContact C-N 3.27Å; V291-W293 PolarHBondContact O-N 3.38Å; W293-Q295 VanDerWaalsContact C-N 3.3Å; W293-Q295 PolarHBondContact O-N 3.37Å; W293-K296 HydrophobicContact CE3-CB 4.31Å; W293-K296 HydrophobicContact CE3-CD 3.79Å; W293-K296 HydrophobicContact CE3-CG 4.25Å; W293-K296 HydrophobicContact CH2-CD 4.17Å; W293-K296 HydrophobicContact CZ3-CD 3.59Å; W293-K296 HydrophobicContact CZ3-CG 4.26Å; W293-K296 PolarHBondContact O-N 3.34Å; W293-K297 HydrophobicContact CE3-CG 4.37Å; W293-K297 WeakPolarHBondContact O-CB 3.4Å; W293-K297 VanDerWaalsContact O-CG 3.26Å; W293-K297 WeakPolarHBondContact O-CG 3.48Å; W293-K297 PolarHBondContact O-N 3.11Å |
| 294 | I | 77.3 | Confident | 70.1 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -55.7 | -44.9 | 173.6 | -74.4 | 167.8 | 0 | 0 | 0 | 111 | V227 I290 V291 R298 L299 I331 | V227-I294 HydrophobicContact CG1-CG1 4.25Å; V227-I294 HydrophobicContact CG2-CG1 4.12Å; I290-I294 WeakPolarHBondContact O-CG1 3.43Å; I290-I294 PolarHBondContact O-N 2.97Å; V291-I294 PolarHBondContact O-N 2.92Å; I294-R298 PolarHBondContact O-N 3.06Å; I294-L299 HydrophobicContact CG1-CD2 4.41Å; I294-L299 HydrophobicContact CG2-CB 4.3Å; I294-L299 PolarHBondContact O-N 3.18Å; I294-L299 VanDerWaalsContact O-N 3.11Å; I294-I331 HydrophobicContact CG2-CD1 4.2Å; I294-I331 HydrophobicContact CG2-CG2 4.36Å |
| 295 | Q | 73.6 | Confident | 72.8 | Confident | 86 Ų | 86 | 51.3 Ų | 51.3 | 40% | 0.402 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63 | -55 | 172.2 | -67.3 | 171.6 | 7.4 | 0 | 0 | 111.7 | V291 W293 K297 R298 V335 L840 | V291-Q295 WeakPolarHBondContact O-CG 3.46Å; V291-Q295 PolarHBondContact O-N 3.28Å; W293-Q295 VanDerWaalsContact C-N 3.3Å; W293-Q295 PolarHBondContact O-N 3.37Å; Q295-K297 PolarHBondContact O-N 3.32Å; Q295-R298 PolarHBondContact O-N 2.86Å; Q295-V335 HydrophobicContact CG-CG2 4.5Å; Q295-L840 HydrophobicContact CG-CD2 4.1Å |
| 296 | K | 79.2 | Confident | 75.5 | Confident | 135 Ų | 135 | 47.7 Ų | 47.7 | 59% | 0.587 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -61.9 | -25.9 | -174.3 | -174 | 172.7 | 172.2 | -170.1 | 0 | 113.6 | K292 W293 | K292-K296 WeakPolarHBondContact O-CB 3.31Å; K292-K296 PolarHBondContact O-N 2.82Å; W293-K296 HydrophobicContact CE3-CB 4.31Å; W293-K296 HydrophobicContact CE3-CD 3.79Å; W293-K296 HydrophobicContact CE3-CG 4.25Å; W293-K296 HydrophobicContact CH2-CD 4.17Å; W293-K296 HydrophobicContact CZ3-CD 3.59Å; W293-K296 HydrophobicContact CZ3-CG 4.26Å; W293-K296 PolarHBondContact O-N 3.34Å |
| 297 | K | 82.9 | Confident | 77.5 | Confident | 53 Ų | 53 | 37.6 Ų | 37.6 | 23% | 0.23 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -3.2 | 175.1 | -57.9 | -78.8 | -178.3 | 164.3 | 0 | 113.4 | S224 V227 T228 K231 W293 Q295 L299 | S224-K297 WeakPolarHBondContact O-CE 3.31Å; S224-K297 PolarHBondContact O-NZ 3.29Å; S224-K297 WeakPolarHBondContact OG-CE 3.45Å; S224-K297 PolarHBondContact OG-NZ 3.37Å; V227-K297 HydrophobicContact CB-CG 4.41Å; V227-K297 HydrophobicContact CG1-CB 3.85Å; V227-K297 HydrophobicContact CG1-CG 3.8Å; T228-K297 VanDerWaalsContact OG1-CE 3.25Å; T228-K297 WeakPolarHBondContact OG1-CE 3.5Å; T228-K297 PolarHBondContact OG1-NZ 3.33Å; K231-K297 WeakPolarHBondContact CD-O 3.48Å; K231-K297 WeakPolarHBondContact CE-O 3.39Å; K231-K297 PolarHBondContact NZ-O 3.46Å; W293-K297 HydrophobicContact CE3-CG 4.37Å; W293-K297 WeakPolarHBondContact O-CB 3.4Å; W293-K297 VanDerWaalsContact O-CG 3.26Å; W293-K297 WeakPolarHBondContact O-CG 3.48Å; W293-K297 PolarHBondContact O-N 3.11Å; Q295-K297 PolarHBondContact O-N 3.32Å; K297-L299 PolarHBondContact O-N 3.07Å |
| 298 | R | 82 | Confident | 79.1 | Confident | 159 Ų | 159 | 40.2 Ų | 40.2 | 60% | 0.6 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 33.2 | -177.6 | -61 | -170.3 | -179.5 | -165.4 | 0.1 | 115.4 | I294 Q295 L300 T301 D302 | I294-R298 PolarHBondContact O-N 3.06Å; Q295-R298 PolarHBondContact O-N 2.86Å; R298-L300 VanDerWaalsContact C-N 3.25Å; R298-L300 PolarHBondContact O-N 3.39Å; R298-T301 WeakPolarHBondContact O-CB 3.49Å; R298-T301 PolarHBondContact O-N 3.5Å; R298-T301 VanDerWaalsContact O-N 3.08Å; R298-T301 PolarHBondContact O-OG1 2.78Å; R298-D302 PolarHBondContact O-N 2.91Å |
| 299 | L | 84.3 | Confident | 80.2 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.8 | -33.3 | -178.6 | -178.5 | 62.6 | 0 | 0 | 0 | 112.7 | V230 K231 L234 V258 I294 K297 T301 D302 L303 | V230-L299 HydrophobicContact CG1-CD2 4.37Å; K231-L299 HydrophobicContact CB-CD1 4.11Å; L234-L299 HydrophobicContact CD2-CD1 4.2Å; V258-L299 HydrophobicContact CG2-CD2 4.34Å; I294-L299 HydrophobicContact CG1-CD2 4.41Å; I294-L299 HydrophobicContact CG2-CB 4.3Å; I294-L299 PolarHBondContact O-N 3.18Å; I294-L299 VanDerWaalsContact O-N 3.11Å; K297-L299 PolarHBondContact O-N 3.07Å; L299-T301 VanDerWaalsContact C-N 3.3Å; L299-T301 PolarHBondContact O-N 2.88Å; L299-D302 WeakPolarHBondContact CA-OD2 3.42Å; L299-D302 PolarHBondContact O-N 2.79Å; L299-L303 HydrophobicContact CG-CD1 4.46Å; L299-L303 WeakPolarHBondContact O-CG 3.23Å; L299-L303 PolarHBondContact O-N 2.81Å |
| 300 | L | 82.1 | Confident | 81 | Confident | 8 Ų | 8 | 43.1 Ų | 43.1 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.9 | -33.4 | 176 | -168.2 | 69.6 | 0 | 0 | 0 | 112.6 | R298 A304 M328 I331 L840 L841 | R298-L300 VanDerWaalsContact C-N 3.25Å; R298-L300 PolarHBondContact O-N 3.39Å; L300-A304 WeakPolarHBondContact O-CB 3.22Å; L300-A304 PolarHBondContact O-N 3.39Å; L300-M328 HydrophobicContact CD1-CB 4.23Å; L300-M328 HydrophobicContact CD1-CE 4.13Å; L300-M328 HydrophobicContact CD1-CG 4.01Å; L300-M328 HydrophobicContact CG-CE 4.44Å; L300-I331 HydrophobicContact CD1-CB 4.22Å; L300-I331 HydrophobicContact CD1-CD1 4.11Å; L300-I331 HydrophobicContact CD1-CG2 4.12Å; L300-L840 HydrophobicContact CD2-CB 4.2Å; L300-L840 HydrophobicContact CD2-CD2 4.37Å; L300-L841 HydrophobicContact CD2-CD2 4.37Å; L300-L841 HydrophobicContact CD2-CG 4.42Å; L300-L841 HydrophobicContact CG-CD2 4.06Å |
| 301 | T | 84.8 | Confident | 81.2 | Confident | 15 Ų | 15 | 46.9 Ų | 46.9 | 9% | 0.092 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.2 | -42.2 | 175.1 | -41.8 | 0 | 0 | 0 | 0 | 110.7 | R298 L299 L303 A304 N305 S845 | R298-T301 WeakPolarHBondContact O-CB 3.49Å; R298-T301 PolarHBondContact O-N 3.5Å; R298-T301 VanDerWaalsContact O-N 3.08Å; R298-T301 PolarHBondContact O-OG1 2.78Å; L299-T301 VanDerWaalsContact C-N 3.3Å; L299-T301 PolarHBondContact O-N 2.88Å; T301-L303 VanDerWaalsContact C-N 3.34Å; T301-L303 PolarHBondContact O-N 2.86Å; T301-A304 PolarHBondContact O-N 3.23Å; T301-N305 PolarHBondContact O-N 2.54Å; T301-N305 PolarHBondContact O-ND2 3.26Å; T301-S845 WeakPolarHBondContact CG2-OG 3.47Å |
| 302 | D | 84.9 | Confident | 81.4 | Confident | 25 Ų | 25 | 48.6 Ų | 48.6 | 13% | 0.134 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.6 | -40.5 | 176.5 | -43.2 | -52.8 | 0 | 0 | 0 | 111.3 | K231 L234 R298 L299 N305 V306 | K231-D302 WeakPolarHBondContact CE-OD2 3.35Å; K231-D302 WeakPolarHBondContact CG-OD2 3.3Å; K231-D302 IonicContact NZ-OD1 3.51Å; K231-D302 PolarHBondContact NZ-OD1 3.45Å; K231-D302 IonicContact NZ-OD2 3.46Å; K231-D302 PolarHBondContact NZ-OD2 2.88Å; L234-D302 HydrophobicContact CD2-CB 4.24Å; R298-D302 PolarHBondContact O-N 2.91Å; L299-D302 WeakPolarHBondContact CA-OD2 3.42Å; L299-D302 PolarHBondContact O-N 2.79Å; D302-N305 PolarHBondContact O-N 3.21Å; D302-V306 PolarHBondContact O-N 3.45Å |
| 303 | L | 87.9 | Confident | 81.3 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.7 | -43.6 | 175.3 | -72.7 | 171.1 | 0 | 0 | 0 | 112.3 | L234 V255 L299 T301 N305 V306 V324 M328 I331 | L234-L303 HydrophobicContact CD2-CD2 3.85Å; L234-L303 HydrophobicContact CD2-CG 4.3Å; V255-L303 HydrophobicContact CG2-CD2 3.92Å; L299-L303 HydrophobicContact CG-CD1 4.46Å; L299-L303 WeakPolarHBondContact O-CG 3.23Å; L299-L303 PolarHBondContact O-N 2.81Å; T301-L303 VanDerWaalsContact C-N 3.34Å; T301-L303 PolarHBondContact O-N 2.86Å; L303-N305 PolarHBondContact O-N 3.05Å; L303-V306 WeakPolarHBondContact O-CB 3.49Å; L303-V306 VanDerWaalsContact O-CG2 3.29Å; L303-V306 WeakPolarHBondContact O-CG2 3.45Å; L303-V306 PolarHBondContact O-N 3.21Å; L303-V324 HydrophobicContact CB-CG1 4.36Å; L303-V324 HydrophobicContact CD2-CG1 4.46Å; L303-V324 WeakPolarHBondContact O-CG1 3.43Å; L303-M328 HydrophobicContact CB-CG 3.9Å; L303-M328 HydrophobicContact CB-SD 4.07Å; L303-M328 HydrophobicContact CD1-CG 4.36Å; L303-I331 HydrophobicContact CD1-CD1 4.23Å |
| 304 | A | 85 | Confident | 81.2 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.8 | -28.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L300 T301 P307 M328 L841 C848 | L300-A304 WeakPolarHBondContact O-CB 3.22Å; L300-A304 PolarHBondContact O-N 3.39Å; T301-A304 PolarHBondContact O-N 3.23Å; A304-P307 VanDerWaalsContact O-CD 3.26Å; A304-P307 WeakPolarHBondContact O-CD 3.09Å; A304-M328 HydrophobicContact CB-CE 3.57Å; A304-M328 HydrophobicContact CB-SD 4.36Å; A304-L841 HydrophobicContact CB-CD1 4.3Å; A304-L841 HydrophobicContact CB-CD2 3.6Å; A304-C848 WeakPolarHBondContact O-CB 3.41Å |
| 305 | N | 86.8 | Confident | 80.9 | Confident | 35 Ų | 35 | 53.9 Ų | 53.9 | 19% | 0.187 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -5.2 | -179.6 | -69.6 | -32.1 | 0 | 0 | 0 | 113.9 | T301 D302 L303 P307 H308 Y309 S845 C848 | T301-N305 PolarHBondContact O-N 2.54Å; T301-N305 PolarHBondContact O-ND2 3.26Å; D302-N305 PolarHBondContact O-N 3.21Å; L303-N305 PolarHBondContact O-N 3.05Å; N305-P307 VanDerWaalsContact C-N 3.3Å; N305-H308 PolarHBondContact O-N 3.39Å; N305-Y309 HydrophobicContact CB-CE2 4.4Å; N305-Y309 WeakPolarHBondContact O-CD2 2.99Å; N305-S845 PolarHBondContact ND2-OG 1.86Å; N305-S845 WeakPolarHBondContact OD1-CA 3.38Å; N305-S845 PolarHBondContact OD1-OG 2.85Å; N305-C848 PolarHBondContact OD1-SG 3.21Å |
| 306 | V | 86.2 | Confident | 81 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -49.8 | -39.5 | 176 | 174.7 | 0 | 0 | 0 | 0 | 113.9 | L238 D302 L303 H308 Y309 L310 M321 V324 | L238-V306 HydrophobicContact CD1-CG2 4.27Å; L238-V306 HydrophobicContact CD2-CB 4.38Å; L238-V306 HydrophobicContact CD2-CG1 3.97Å; L238-V306 HydrophobicContact CD2-CG2 4.02Å; D302-V306 PolarHBondContact O-N 3.45Å; L303-V306 WeakPolarHBondContact O-CB 3.49Å; L303-V306 VanDerWaalsContact O-CG2 3.29Å; L303-V306 WeakPolarHBondContact O-CG2 3.45Å; L303-V306 PolarHBondContact O-N 3.21Å; V306-H308 PolarHBondContact O-N 3.38Å; V306-H308 VanDerWaalsContact O-N 3.11Å; V306-Y309 PolarHBondContact O-N 3.18Å; V306-L310 HydrophobicContact CG1-CD1 3.59Å; V306-L310 HydrophobicContact CG1-CG 4Å; V306-L310 PolarHBondContact O-N 2.86Å; V306-M321 HydrophobicContact CB-SD 4.47Å; V306-M321 HydrophobicContact CG1-SD 4Å; V306-V324 HydrophobicContact CB-CG2 4.45Å; V306-V324 HydrophobicContact CG1-CG2 4.21Å; V306-V324 HydrophobicContact CG2-CG2 4.32Å |
| 307 | P | 82.5 | Confident | 81.2 | Confident | 9 Ų | 9 | 48 Ų | 48 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -53.6 | -28.9 | 174.9 | -28.2 | 35.9 | 0 | 0 | 0 | 115.2 | A304 N305 Y309 M321 L852 | A304-P307 VanDerWaalsContact O-CD 3.26Å; A304-P307 WeakPolarHBondContact O-CD 3.09Å; N305-P307 VanDerWaalsContact C-N 3.3Å; P307-Y309 VanDerWaalsContact C-N 3.33Å; P307-M321 HydrophobicContact CG-CE 3.66Å; P307-M321 HydrophobicContact CG-SD 3.9Å; P307-L852 HydrophobicContact CB-CD2 4.38Å; P307-L852 HydrophobicContact CG-CD2 4.19Å |
| 308 | H | 82.6 | Confident | 81.1 | Confident | 128 Ų | 128 | 46.4 Ų | 46.4 | 59% | 0.593 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -76.8 | -16 | 177.2 | -79.3 | -52.5 | 0 | 0 | 0 | 114.1 | N305 V306 C848 | N305-H308 PolarHBondContact O-N 3.39Å; V306-H308 PolarHBondContact O-N 3.38Å; V306-H308 VanDerWaalsContact O-N 3.11Å; H308-C848 PolarHBondContact CD2-SG 2.98Å; H308-C848 PolarHBondContact NE2-SG 3.19Å |
| 309 | Y | 82.2 | Confident | 81.1 | Confident | 95 Ų | 95 | 40.6 Ų | 40.6 | 37% | 0.373 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -103 | -1.8 | -179.4 | -63.2 | -82.3 | 0 | 0 | 0 | 113.6 | L238 H242 K247 N305 V306 P307 | L238-Y309 HydrophobicContact CB-CD1 4.34Å; L238-Y309 HydrophobicContact CB-CG 4.11Å; L238-Y309 HydrophobicContact CD1-CD2 4.12Å; L238-Y309 HydrophobicContact CD1-CE2 4.48Å; L238-Y309 HydrophobicContact CD1-CG 4.49Å; L238-Y309 HydrophobicContact CD2-CD2 4.46Å; L238-Y309 HydrophobicContact CD2-CG 4.36Å; H242-Y309 PolarHBondContact CE1-O 2.96Å; H242-Y309 VanDerWaalsContact CE1-O 3.31Å; K247-Y309 PolarHBondContact NZ-O 2.95Å; N305-Y309 HydrophobicContact CB-CE2 4.4Å; N305-Y309 WeakPolarHBondContact O-CD2 2.99Å; V306-Y309 PolarHBondContact O-N 3.18Å; P307-Y309 VanDerWaalsContact C-N 3.33Å |
| 310 | L | 82.2 | Confident | 81.2 | Confident | 12 Ų | 12 | 40.5 Ų | 40.5 | 6% | 0.063 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -114.5 | 149.8 | -179.5 | -60.9 | -176.2 | 0 | 0 | 0 | 110.7 | I251 V306 L312 T317 T320 M321 | I251-L310 HydrophobicContact CD1-CD2 3.88Å; V306-L310 HydrophobicContact CG1-CD1 3.59Å; V306-L310 HydrophobicContact CG1-CG 4Å; V306-L310 PolarHBondContact O-N 2.86Å; L310-L312 PolarHBondContact O-N 3.34Å; L310-T317 HydrophobicContact CB-CG2 3.8Å; L310-T317 HydrophobicContact CD1-CG2 3.91Å; L310-T320 HydrophobicContact CD1-CG2 3.71Å; L310-M321 HydrophobicContact CD1-SD 4.15Å |
| 311 | N | 77.4 | Confident | 81.4 | Confident | 79 Ų | 79 | 40.3 Ų | 40.3 | 42% | 0.422 | 23% | 0.227 | S | C | . | . | trans | -85 | 112.5 | 170.3 | 178.7 | 26.1 | 0 | 0 | 0 | 108.9 | S313 D314 T317 | N311-S313 PolarHBondContact ND2-OG 3.4Å; N311-S313 PolarHBondContact O-N 2.71Å; N311-S313 VanDerWaalsContact O-N 3.12Å; N311-S313 PolarHBondContact OD1-N 2.85Å; N311-S313 PolarHBondContact OD1-OG 3.27Å; N311-S313 VanDerWaalsContact OD1-OG 3.07Å; N311-D314 HydrophobicContact CB-CB 4.39Å; N311-D314 WeakPolarHBondContact O-CB 3.03Å; N311-D314 PolarHBondContact O-N 3.15Å; N311-D314 VanDerWaalsContact O-N 3.08Å; N311-T317 WeakPolarHBondContact O-CB 3.31Å; N311-T317 PolarHBondContact O-OG1 3.5Å | ||
| 312 | L | 74.7 | Confident | 81.5 | Confident | 58 Ų | 58 | 41.7 Ų | 41.7 | 30% | 0.304 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -4.8 | -176.1 | -63.2 | 167.5 | 0 | 0 | 0 | 113.9 | L310 T317 V851 L852 | L310-L312 PolarHBondContact O-N 3.34Å; L312-T317 HydrophobicContact CD2-CG2 3.95Å; L312-V851 HydrophobicContact CD1-CG1 4.45Å; L312-L852 HydrophobicContact CD2-CD2 4.46Å |
| 313 | S | 70.8 | Confident | 81.5 | Confident | 94 Ų | 94 | 41.9 Ų | 41.9 | 66% | 0.657 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -2.9 | 169.9 | 64 | 0 | 0 | 0 | 0 | 115.2 | N311 | N311-S313 PolarHBondContact ND2-OG 3.4Å; N311-S313 PolarHBondContact O-N 2.71Å; N311-S313 VanDerWaalsContact O-N 3.12Å; N311-S313 PolarHBondContact OD1-N 2.85Å; N311-S313 PolarHBondContact OD1-OG 3.27Å; N311-S313 VanDerWaalsContact OD1-OG 3.07Å |
| 314 | D | 75 | Confident | 81.6 | Confident | 35 Ų | 35 | 41.9 Ų | 41.9 | 19% | 0.187 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -80.7 | 124.7 | 171.4 | 172.2 | -3.1 | 0 | 0 | 0 | 109.7 | H248 N311 N316 T317 | H248-D314 IonicContact CD2-OD2 2.77Å; H248-D314 IonicContact CE1-OD2 3.02Å; H248-D314 IonicContact NE2-OD2 2.65Å; H248-D314 PolarHBondContact NE2-OD2 3.45Å; N311-D314 HydrophobicContact CB-CB 4.39Å; N311-D314 WeakPolarHBondContact O-CB 3.03Å; N311-D314 PolarHBondContact O-N 3.15Å; N311-D314 VanDerWaalsContact O-N 3.08Å; D314-N316 PolarHBondContact O-N 3.18Å; D314-N316 VanDerWaalsContact O-N 3.14Å; D314-N316 WeakPolarHBondContact OD1-CB 3.28Å; D314-N316 PolarHBondContact OD1-N 2.98Å; D314-N316 PolarHBondContact OD1-ND2 3.36Å; D314-T317 WeakPolarHBondContact O-CB 3.34Å; D314-T317 PolarHBondContact O-N 3.35Å; D314-T317 PolarHBondContact O-OG1 3.44Å |
| 315 | P | 72.3 | Confident | 81.7 | Confident | 104 Ų | 104 | 41.9 Ų | 41.9 | 68% | 0.675 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -29 | -177.7 | 23.3 | -34.4 | 0 | 0 | 0 | 113.5 | T317 I318 | P315-T317 VanDerWaalsContact C-N 3.26Å; P315-T317 PolarHBondContact O-N 3.39Å; P315-I318 PolarHBondContact O-N 3.42Å |
| 316 | N | 75.6 | Confident | 81.6 | Confident | 93 Ų | 93 | 45 Ų | 45 | 50% | 0.497 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -68.7 | -25.2 | 178.4 | -60.7 | -84.1 | 0 | 0 | 0 | 112.6 | H248 D314 I318 G319 T320 | H248-N316 HydrophobicContact CB-CB 4.24Å; H248-N316 WeakPolarHBondContact CD2-CB 3.45Å; D314-N316 PolarHBondContact O-N 3.18Å; D314-N316 VanDerWaalsContact O-N 3.14Å; D314-N316 WeakPolarHBondContact OD1-CB 3.28Å; D314-N316 PolarHBondContact OD1-N 2.98Å; D314-N316 PolarHBondContact OD1-ND2 3.36Å; N316-I318 PolarHBondContact O-N 2.87Å; N316-G319 PolarHBondContact O-N 3.38Å; N316-T320 PolarHBondContact O-N 2.98Å; N316-T320 PolarHBondContact O-OG1 3.07Å |
| 317 | T | 82.7 | Confident | 81.5 | Confident | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.9 | -32.1 | -179.9 | -64.8 | 0 | 0 | 0 | 0 | 112.2 | H248 L310 N311 L312 D314 P315 T320 M321 | H248-T317 PolarHBondContact CE1-OG1 2.9Å; H248-T317 VanDerWaalsContact CE1-OG1 3.26Å; L310-T317 HydrophobicContact CB-CG2 3.8Å; L310-T317 HydrophobicContact CD1-CG2 3.91Å; N311-T317 WeakPolarHBondContact O-CB 3.31Å; N311-T317 PolarHBondContact O-OG1 3.5Å; L312-T317 HydrophobicContact CD2-CG2 3.95Å; D314-T317 WeakPolarHBondContact O-CB 3.34Å; D314-T317 PolarHBondContact O-N 3.35Å; D314-T317 PolarHBondContact O-OG1 3.44Å; P315-T317 VanDerWaalsContact C-N 3.26Å; P315-T317 PolarHBondContact O-N 3.39Å; T317-T320 PolarHBondContact O-N 3.45Å; T317-M321 HydrophobicContact CG2-CG 4.13Å; T317-M321 WeakPolarHBondContact O-CB 3.4Å; T317-M321 WeakPolarHBondContact O-CG 3.5Å; T317-M321 PolarHBondContact O-N 3.37Å |
| 318 | I | 80.2 | Confident | 81.7 | Confident | 21 Ų | 21 | 44.7 Ų | 44.7 | 11% | 0.108 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68 | -41.9 | -177.6 | -50.4 | 171.7 | 0 | 0 | 0 | 110.9 | P315 N316 M321 N322 N857 N859 L860 | P315-I318 PolarHBondContact O-N 3.42Å; N316-I318 PolarHBondContact O-N 2.87Å; I318-M321 PolarHBondContact O-N 3.16Å; I318-N322 WeakPolarHBondContact O-CB 3.47Å; I318-N322 PolarHBondContact O-N 3.07Å; I318-N322 PolarHBondContact O-ND2 3.09Å; I318-N857 HydrophobicContact CD1-CB 3.94Å; I318-N859 HydrophobicContact CD1-CB 4.26Å; I318-N859 HydrophobicContact CG2-CB 3.87Å; I318-N859 WeakPolarHBondContact CG2-O 3.34Å; I318-L860 HydrophobicContact CG2-CB 4.32Å |
| 319 | G | 82.5 | Confident | 81.7 | Confident | 36 Ų | 36 | 38.9 Ų | 38.9 | 37% | 0.371 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.4 | -47.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N316 M321 N322 A323 | N316-G319 PolarHBondContact O-N 3.38Å; G319-M321 VanDerWaalsContact C-N 3.34Å; G319-M321 PolarHBondContact O-N 3.02Å; G319-N322 PolarHBondContact O-N 3.44Å; G319-A323 PolarHBondContact O-N 3.47Å; G319-A323 VanDerWaalsContact O-N 3.1Å |
| 320 | T | 86.2 | Confident | 81.3 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.2 | -44.8 | 174.4 | -54.5 | 0 | 0 | 0 | 0 | 111.8 | H248 I251 L310 N316 T317 A323 V324 | H248-T320 VanDerWaalsContact CB-OG1 3.28Å; H248-T320 WeakPolarHBondContact CB-OG1 3.29Å; H248-T320 PolarHBondContact ND1-OG1 3.35Å; I251-T320 HydrophobicContact CB-CG2 3.99Å; I251-T320 HydrophobicContact CD1-CG2 4.46Å; I251-T320 HydrophobicContact CG2-CG2 3.54Å; L310-T320 HydrophobicContact CD1-CG2 3.71Å; N316-T320 PolarHBondContact O-N 2.98Å; N316-T320 PolarHBondContact O-OG1 3.07Å; T317-T320 PolarHBondContact O-N 3.45Å; T320-A323 PolarHBondContact O-N 3.5Å; T320-V324 WeakPolarHBondContact O-CG2 3.18Å; T320-V324 PolarHBondContact O-N 2.94Å |
| 321 | M | 87.2 | Confident | 81 | Confident | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.015 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70.4 | -38.3 | -179.7 | -74.9 | -49.7 | -46.2 | 0 | 0 | 113.4 | V306 P307 L310 T317 I318 G319 A323 V324 L325 L852 L860 | V306-M321 HydrophobicContact CB-SD 4.47Å; V306-M321 HydrophobicContact CG1-SD 4Å; P307-M321 HydrophobicContact CG-CE 3.66Å; P307-M321 HydrophobicContact CG-SD 3.9Å; L310-M321 HydrophobicContact CD1-SD 4.15Å; T317-M321 HydrophobicContact CG2-CG 4.13Å; T317-M321 WeakPolarHBondContact O-CB 3.4Å; T317-M321 WeakPolarHBondContact O-CG 3.5Å; T317-M321 PolarHBondContact O-N 3.37Å; I318-M321 PolarHBondContact O-N 3.16Å; G319-M321 VanDerWaalsContact C-N 3.34Å; G319-M321 PolarHBondContact O-N 3.02Å; M321-A323 VanDerWaalsContact C-N 3.28Å; M321-A323 PolarHBondContact O-N 2.81Å; M321-V324 HydrophobicContact CE-CB 4.22Å; M321-V324 HydrophobicContact CE-CG1 4.12Å; M321-V324 PolarHBondContact O-N 3.22Å; M321-L325 WeakPolarHBondContact O-CB 3.5Å; M321-L325 VanDerWaalsContact O-CG 3.31Å; M321-L325 WeakPolarHBondContact O-CG 3.25Å; M321-L325 PolarHBondContact O-N 3.32Å; M321-L852 HydrophobicContact CE-CD1 4.12Å; M321-L860 HydrophobicContact CB-CD1 4.27Å |
| 322 | N | 85.9 | Confident | 80.8 | Confident | 45 Ų | 45 | 31.6 Ų | 31.6 | 24% | 0.241 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.7 | -35.8 | 173.9 | -78.6 | -29.6 | 0 | 0 | 0 | 111.8 | I318 G319 K326 N859 N861 | I318-N322 WeakPolarHBondContact O-CB 3.47Å; I318-N322 PolarHBondContact O-N 3.07Å; I318-N322 PolarHBondContact O-ND2 3.09Å; G319-N322 PolarHBondContact O-N 3.44Å; N322-K326 PolarHBondContact O-N 3.26Å; N322-K326 VanDerWaalsContact O-N 3.08Å; N322-N859 PolarHBondContact ND2-O 3.18Å; N322-N861 WeakPolarHBondContact OD1-CB 3.5Å; N322-N861 PolarHBondContact OD1-N 2.99Å |
| 323 | A | 86.3 | Confident | 80.5 | Confident | 29 Ų | 29 | 32.6 Ų | 32.6 | 24% | 0.24 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.3 | -44.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | M252 V255 G319 T320 M321 K326 A327 | M252-A323 HydrophobicContact CG-CB 4.03Å; V255-A323 HydrophobicContact CG1-CB 4.46Å; V255-A323 WeakPolarHBondContact CG1-O 3.41Å; G319-A323 PolarHBondContact O-N 3.47Å; G319-A323 VanDerWaalsContact O-N 3.1Å; T320-A323 PolarHBondContact O-N 3.5Å; M321-A323 VanDerWaalsContact C-N 3.28Å; M321-A323 PolarHBondContact O-N 2.81Å; A323-K326 PolarHBondContact O-N 3.31Å; A323-A327 PolarHBondContact O-N 3.31Å; A323-A327 VanDerWaalsContact O-N 3.13Å |
| 324 | V | 88.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.5 | -47.5 | 175 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | V255 L303 V306 T320 M321 K326 A327 M328 | V255-V324 HydrophobicContact CG2-CG2 3.96Å; L303-V324 HydrophobicContact CB-CG1 4.36Å; L303-V324 HydrophobicContact CD2-CG1 4.46Å; L303-V324 WeakPolarHBondContact O-CG1 3.43Å; V306-V324 HydrophobicContact CB-CG2 4.45Å; V306-V324 HydrophobicContact CG1-CG2 4.21Å; V306-V324 HydrophobicContact CG2-CG2 4.32Å; T320-V324 WeakPolarHBondContact O-CG2 3.18Å; T320-V324 PolarHBondContact O-N 2.94Å; M321-V324 HydrophobicContact CE-CB 4.22Å; M321-V324 HydrophobicContact CE-CG1 4.12Å; M321-V324 PolarHBondContact O-N 3.22Å; V324-K326 VanDerWaalsContact C-N 3.29Å; V324-K326 PolarHBondContact O-N 3.11Å; V324-A327 PolarHBondContact O-N 3.09Å; V324-M328 HydrophobicContact CG1-CG 4.25Å; V324-M328 HydrophobicContact CG1-SD 3.91Å; V324-M328 WeakPolarHBondContact O-CB 3.34Å; V324-M328 WeakPolarHBondContact O-CG 3.47Å; V324-M328 PolarHBondContact O-N 3.33Å |
| 325 | L | 87.2 | Confident | 79.4 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.6 | -34.6 | 177.8 | -71.7 | 173.1 | 0 | 0 | 0 | 112.3 | M321 E329 L849 L852 L860 R864 L865 L868 | M321-L325 WeakPolarHBondContact O-CB 3.5Å; M321-L325 VanDerWaalsContact O-CG 3.31Å; M321-L325 WeakPolarHBondContact O-CG 3.25Å; M321-L325 PolarHBondContact O-N 3.32Å; L325-E329 VanDerWaalsContact O-CB 3.28Å; L325-E329 WeakPolarHBondContact O-CB 3.36Å; L325-E329 PolarHBondContact O-N 3.44Å; L325-L849 HydrophobicContact CD2-CD2 4.37Å; L325-L852 HydrophobicContact CD2-CD1 4.34Å; L325-L860 HydrophobicContact CD1-CD1 4.17Å; L325-R864 HydrophobicContact CB-CG 4.4Å; L325-L865 HydrophobicContact CD2-CD1 3.99Å; L325-L868 HydrophobicContact CD2-CD2 3.79Å |
| 326 | K | 85.8 | Confident | 78.7 | Confident | 102 Ų | 102 | 27.7 Ų | 27.7 | 44% | 0.443 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -62.1 | -53.3 | 172.1 | -175.8 | -176.9 | 175.5 | -174.9 | 0 | 111.4 | N322 A323 V324 M328 E329 D330 | N322-K326 PolarHBondContact O-N 3.26Å; N322-K326 VanDerWaalsContact O-N 3.08Å; A323-K326 PolarHBondContact O-N 3.31Å; V324-K326 VanDerWaalsContact C-N 3.29Å; V324-K326 PolarHBondContact O-N 3.11Å; K326-M328 VanDerWaalsContact C-N 3.31Å; K326-M328 PolarHBondContact O-N 3.5Å; K326-E329 PolarHBondContact O-N 3.09Å; K326-D330 WeakPolarHBondContact O-CB 3.26Å; K326-D330 PolarHBondContact O-N 3.13Å |
| 327 | A | 84.9 | Confident | 77 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.008 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.7 | -38.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V255 A323 V324 I331 | V255-A327 HydrophobicContact CG1-CB 3.66Å; A323-A327 PolarHBondContact O-N 3.31Å; A323-A327 VanDerWaalsContact O-N 3.13Å; V324-A327 PolarHBondContact O-N 3.09Å; A327-I331 VanDerWaalsContact O-CG1 3.28Å; A327-I331 WeakPolarHBondContact O-CG1 3.46Å; A327-I331 PolarHBondContact O-N 3.29Å |
| 328 | M | 86.1 | Confident | 74.6 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.2 | -44.6 | 175.6 | -70.9 | -173.2 | 73.3 | 0 | 0 | 112.9 | L300 L303 A304 V324 K326 I331 A332 L841 L849 L868 | L300-M328 HydrophobicContact CD1-CB 4.23Å; L300-M328 HydrophobicContact CD1-CE 4.13Å; L300-M328 HydrophobicContact CD1-CG 4.01Å; L300-M328 HydrophobicContact CG-CE 4.44Å; L303-M328 HydrophobicContact CB-CG 3.9Å; L303-M328 HydrophobicContact CB-SD 4.07Å; L303-M328 HydrophobicContact CD1-CG 4.36Å; A304-M328 HydrophobicContact CB-CE 3.57Å; A304-M328 HydrophobicContact CB-SD 4.36Å; V324-M328 HydrophobicContact CG1-CG 4.25Å; V324-M328 HydrophobicContact CG1-SD 3.91Å; V324-M328 WeakPolarHBondContact O-CB 3.34Å; V324-M328 WeakPolarHBondContact O-CG 3.47Å; V324-M328 PolarHBondContact O-N 3.33Å; K326-M328 VanDerWaalsContact C-N 3.31Å; K326-M328 PolarHBondContact O-N 3.5Å; M328-I331 PolarHBondContact O-N 3.13Å; M328-A332 VanDerWaalsContact O-CB 3.23Å; M328-A332 WeakPolarHBondContact O-CB 3.29Å; M328-A332 PolarHBondContact O-N 3.3Å; M328-L841 HydrophobicContact CE-CD1 4.13Å; M328-L849 HydrophobicContact CE-CD1 4.08Å; M328-L849 HydrophobicContact CE-CD2 4.32Å; M328-L849 HydrophobicContact SD-CD2 4.32Å; M328-L868 HydrophobicContact CB-CD1 4.07Å; M328-L868 HydrophobicContact CB-CD2 4.04Å; M328-L868 HydrophobicContact CE-CD2 4.18Å; M328-L868 HydrophobicContact SD-CD2 4.4Å |
| 329 | E | 81.3 | Confident | 72.2 | Confident | 6 Ų | 6 | 35.3 Ų | 35.3 | 3% | 0.028 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.5 | -42.8 | 177.7 | -166.6 | -146 | 152.2 | 0 | 0 | 111 | L325 K326 A332 R333 R864 R867 | L325-E329 VanDerWaalsContact O-CB 3.28Å; L325-E329 WeakPolarHBondContact O-CB 3.36Å; L325-E329 PolarHBondContact O-N 3.44Å; K326-E329 PolarHBondContact O-N 3.09Å; E329-A332 PolarHBondContact O-N 3.3Å; E329-R333 PolarHBondContact O-N 3.49Å; E329-R333 VanDerWaalsContact O-N 3.11Å; E329-R333 IonicContact OE1-CZ 3.48Å; E329-R333 IonicContact OE1-NE 2.88Å; E329-R333 PolarHBondContact OE1-NE 3.17Å; E329-R333 VanDerWaalsContact OE1-NE 3.09Å; E329-R333 IonicContact OE1-NH2 3.29Å; E329-R333 PolarHBondContact OE1-NH2 2.98Å; E329-R333 IonicContact OE2-NH2 3.45Å; E329-R333 PolarHBondContact OE2-NH2 3.22Å; E329-R864 HydrophobicContact CB-CG 4.28Å; E329-R864 HydrophobicContact CG-CG 4.45Å; E329-R864 VanDerWaalsContact OE2-CG 3.28Å; E329-R864 WeakPolarHBondContact OE2-CG 3.46Å; E329-R864 IonicContact OE2-CZ 2.78Å; E329-R864 IonicContact OE2-NH1 3.6Å; E329-R864 PolarHBondContact OE2-NH1 3.24Å; E329-R867 HydrophobicContact CG-CB 4.19Å |
| 330 | D | 74.7 | Confident | 69.4 | Low | 16 Ų | 16 | 37.1 Ų | 37.1 | 9% | 0.086 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.3 | -50 | 177.1 | -74.9 | -25.3 | 0 | 0 | 0 | 111.3 | K262 K326 A332 R333 F334 | K262-D330 HydrophobicContact CD-CB 4.5Å; K326-D330 WeakPolarHBondContact O-CB 3.26Å; K326-D330 PolarHBondContact O-N 3.13Å; D330-A332 VanDerWaalsContact C-N 3.34Å; D330-A332 PolarHBondContact O-N 3.44Å; D330-R333 PolarHBondContact O-N 3.05Å; D330-R333 IonicContact OD1-CZ 2.94Å; D330-R333 IonicContact OD1-NH1 2.81Å; D330-R333 PolarHBondContact OD1-NH1 3.36Å; D330-R333 IonicContact OD1-NH2 2.84Å; D330-R333 PolarHBondContact OD1-NH2 3.21Å; D330-F334 WeakPolarHBondContact O-CD2 3.28Å; D330-F334 WeakPolarHBondContact O-CE2 3.44Å |
| 331 | I | 76.7 | Confident | 66.4 | Low | 16 Ų | 16 | 41.9 Ų | 41.9 | 8% | 0.082 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.8 | -45.3 | 174.1 | -65.9 | 164.8 | 0 | 0 | 0 | 111.1 | V258 I294 L300 L303 A327 M328 R333 F334 V335 | V258-I331 HydrophobicContact CG1-CD1 3.72Å; V258-I331 HydrophobicContact CG1-CG1 4.31Å; I294-I331 HydrophobicContact CG2-CD1 4.2Å; I294-I331 HydrophobicContact CG2-CG2 4.36Å; L300-I331 HydrophobicContact CD1-CB 4.22Å; L300-I331 HydrophobicContact CD1-CD1 4.11Å; L300-I331 HydrophobicContact CD1-CG2 4.12Å; L303-I331 HydrophobicContact CD1-CD1 4.23Å; A327-I331 VanDerWaalsContact O-CG1 3.28Å; A327-I331 WeakPolarHBondContact O-CG1 3.46Å; A327-I331 PolarHBondContact O-N 3.29Å; M328-I331 PolarHBondContact O-N 3.13Å; I331-R333 VanDerWaalsContact C-N 3.28Å; I331-R333 PolarHBondContact O-N 3.09Å; I331-F334 PolarHBondContact O-N 3.14Å; I331-F334 VanDerWaalsContact O-N 3.09Å; I331-V335 HydrophobicContact CG2-CG2 4.03Å; I331-V335 WeakPolarHBondContact O-CG2 3.33Å; I331-V335 PolarHBondContact O-N 2.69Å; I331-V335 VanDerWaalsContact O-N 3.13Å |
| 332 | A | 73.2 | Confident | 63.4 | Low | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.9 | -35.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | M328 E329 D330 L336 L868 N871 | M328-A332 VanDerWaalsContact O-CB 3.23Å; M328-A332 WeakPolarHBondContact O-CB 3.29Å; M328-A332 PolarHBondContact O-N 3.3Å; E329-A332 PolarHBondContact O-N 3.3Å; D330-A332 VanDerWaalsContact C-N 3.34Å; D330-A332 PolarHBondContact O-N 3.44Å; A332-L336 PolarHBondContact O-N 3.38Å; A332-L868 HydrophobicContact CB-CD1 3.92Å; A332-N871 HydrophobicContact CB-CB 3.88Å |
| 333 | R | 68.5 | Low | 60.4 | Low | 79 Ų | 79 | 56.7 Ų | 56.7 | 30% | 0.298 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.7 | -48.9 | 172.4 | -69.5 | -169.5 | -120 | 93.1 | 2.1 | 111.5 | E329 D330 I331 V335 L336 C337 N871 | E329-R333 PolarHBondContact O-N 3.49Å; E329-R333 VanDerWaalsContact O-N 3.11Å; E329-R333 IonicContact OE1-CZ 3.48Å; E329-R333 IonicContact OE1-NE 2.88Å; E329-R333 PolarHBondContact OE1-NE 3.17Å; E329-R333 VanDerWaalsContact OE1-NE 3.09Å; E329-R333 IonicContact OE1-NH2 3.29Å; E329-R333 PolarHBondContact OE1-NH2 2.98Å; E329-R333 IonicContact OE2-NH2 3.45Å; E329-R333 PolarHBondContact OE2-NH2 3.22Å; D330-R333 PolarHBondContact O-N 3.05Å; D330-R333 IonicContact OD1-CZ 2.94Å; D330-R333 IonicContact OD1-NH1 2.81Å; D330-R333 PolarHBondContact OD1-NH1 3.36Å; D330-R333 IonicContact OD1-NH2 2.84Å; D330-R333 PolarHBondContact OD1-NH2 3.21Å; I331-R333 VanDerWaalsContact C-N 3.28Å; I331-R333 PolarHBondContact O-N 3.09Å; R333-V335 VanDerWaalsContact C-N 3.29Å; R333-V335 PolarHBondContact O-N 3.28Å; R333-L336 PolarHBondContact O-N 3.39Å; R333-C337 WeakPolarHBondContact O-CB 3.5Å; R333-C337 PolarHBondContact O-N 3.22Å; R333-C337 VanDerWaalsContact O-N 3.13Å; R333-C337 PolarHBondContact O-SG 3.15Å; R333-N871 VanDerWaalsContact CG-ND2 3.3Å; R333-N871 WeakPolarHBondContact CG-ND2 3.41Å |
| 334 | F | 63 | Low | 57.3 | Low | 65 Ų | 65 | 60 Ų | 60 | 29% | 0.285 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -70.2 | -19.2 | -177.4 | -64.1 | -62.2 | 0 | 0 | 0 | 115.5 | K262 W267 D330 I331 | K262-F334 HydrophobicContact CD-CE2 3.68Å; K262-F334 HydrophobicContact CD-CZ 4.29Å; K262-F334 VanDerWaalsContact CE-CE2 3.44Å; K262-F334 HydrophobicContact CG-CD2 4.1Å; K262-F334 HydrophobicContact CG-CE2 3.58Å; K262-F334 HydrophobicContact CG-CZ 4.26Å; W267-F334 AromaticContact CE2-CD1 3.8Å; W267-F334 HydrophobicContact CH2-CB 4.22Å; W267-F334 AromaticContact CH2-CD1 3.95Å; W267-F334 HydrophobicContact CH2-CD1 3.95Å; W267-F334 HydrophobicContact CH2-CG 4.49Å; W267-F334 HydrophobicContact CZ2-CB 3.93Å; W267-F334 AromaticContact CZ2-CD1 3.24Å; W267-F334 HydrophobicContact CZ2-CD1 3.24Å; W267-F334 HydrophobicContact CZ2-CE1 4.03Å; W267-F334 AromaticContact CZ2-CG 3.82Å; W267-F334 HydrophobicContact CZ2-CG 3.82Å; D330-F334 WeakPolarHBondContact O-CD2 3.28Å; D330-F334 WeakPolarHBondContact O-CE2 3.44Å; I331-F334 PolarHBondContact O-N 3.14Å; I331-F334 VanDerWaalsContact O-N 3.09Å |
| 335 | V | 59.9 | Low | 54.2 | Low | 36 Ų | 36 | 64.6 Ų | 64.6 | 22% | 0.218 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -89.6 | -33.5 | 176.9 | -179.1 | 0 | 0 | 0 | 0 | 112.7 | V291 Q295 I331 R333 L840 | V291-V335 HydrophobicContact CG1-CG2 3.64Å; Q295-V335 HydrophobicContact CG-CG2 4.5Å; I331-V335 HydrophobicContact CG2-CG2 4.03Å; I331-V335 WeakPolarHBondContact O-CG2 3.33Å; I331-V335 PolarHBondContact O-N 2.69Å; I331-V335 VanDerWaalsContact O-N 3.13Å; R333-V335 VanDerWaalsContact C-N 3.29Å; R333-V335 PolarHBondContact O-N 3.28Å; V335-L840 HydrophobicContact CB-CD1 4.21Å; V335-L840 HydrophobicContact CG1-CD1 3.42Å; V335-L840 VanDerWaalsContact CG1-CD1 3.42Å; V335-L840 HydrophobicContact CG1-CD2 3.74Å; V335-L840 HydrophobicContact CG1-CG 4.15Å |
| 336 | L | 56.6 | Low | 51.2 | Low | 29 Ų | 29 | 68.9 Ų | 68.9 | 15% | 0.152 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -113.9 | -4.6 | -165.4 | -69.1 | 171.5 | 0 | 0 | 0 | 115.1 | A332 R333 P338 L840 N871 | A332-L336 PolarHBondContact O-N 3.38Å; R333-L336 PolarHBondContact O-N 3.39Å; L336-P338 WeakPolarHBondContact O-CD 3.39Å; L336-L840 HydrophobicContact CD1-CD1 3.67Å; L336-L840 HydrophobicContact CD2-CD1 3.64Å; L336-L840 HydrophobicContact CG-CD1 3.65Å; L336-N871 WeakPolarHBondContact CD1-O 3.37Å |
| 337 | C | 39.8 | Very low | 48.3 | Very low | 76 Ų | 76 | 72.6 Ų | 72.6 | 51% | 0.514 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 124.6 | 169 | -75.1 | 0 | 0 | 0 | 0 | 111.7 | R333 | R333-C337 WeakPolarHBondContact O-CB 3.5Å; R333-C337 PolarHBondContact O-N 3.22Å; R333-C337 VanDerWaalsContact O-N 3.13Å; R333-C337 PolarHBondContact O-SG 3.15Å |
| 338 | P | 33.3 | Very low | 45.5 | Very low | 104 Ų | 104 | 80 Ų | 80 | 68% | 0.675 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 141.1 | 158.9 | -15.2 | 30.7 | 0 | 0 | 0 | 110 | L336 | L336-P338 WeakPolarHBondContact O-CD 3.39Š|
| 339 | V | 28.4 | Very low | 42.5 | Very low | 97 Ų | 97 | 90.4 Ų | 90.4 | 59% | 0.588 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -79.7 | 129 | 174.6 | 175.1 | 0 | 0 | 0 | 0 | 109.5 | ||
| 340 | S | 23.3 | Very low | 39.7 | Very low | 75 Ų | 75 | 97.2 Ų | 97.2 | 52% | 0.524 | 55% | 0.546 | S | S | . | . | trans | 62.3 | 142.1 | 175.8 | -52.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 341 | S | 24.3 | Very low | 37.4 | Very low | 100 Ų | 100 | 104.3 Ų | 104.3 | 70% | 0.699 | 58% | 0.583 | S | S | * | * | cis | -156.3 | 144.2 | 38.5 | -54.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 342 | S | 23.3 | Very low | 34.9 | Very low | 108 Ų | 108 | 107.2 Ų | 107.2 | 76% | 0.755 | 61% | 0.609 | S | S | * | * | trans | -59.7 | 145.8 | 150.8 | 40.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 343 | R | 23.3 | Very low | 32.7 | Very low | 250 Ų | 250 | 114.9 Ų | 114.9 | 94% | 0.943 | 65% | 0.65 | S | S | * | * | trans | -121.7 | 78.1 | 167 | -89.8 | -171.1 | 165.4 | -168.3 | -5.5 | 109 | ||||
| 344 | S | 21.2 | Very low | 30.7 | Very low | 100 Ų | 100 | 114.7 Ų | 114.7 | 70% | 0.699 | 67% | 0.673 | S | S | * | * | trans | -78 | 168.1 | 155.6 | 47.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 345 | A | 22.9 | Very low | 28.9 | Very low | 96 Ų | 96 | 117.4 Ų | 117.4 | 79% | 0.793 | 70% | 0.7 | S | S | * | * | trans | 72.5 | 148.3 | 157.5 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 346 | A | 25.8 | Very low | 27.4 | Very low | 89 Ų | 89 | 119.7 Ų | 119.7 | 74% | 0.736 | 73% | 0.73 | S | S | * | * | trans | 69.3 | 100 | 144.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 347 | Q | 24.1 | Very low | 26 | Very low | 180 Ų | 180 | 124.2 Ų | 124.2 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | -14 | 134.2 | 120.1 | -55.6 | 158.8 | -7.9 | 0 | 0 | 114.2 | |||||
| 348 | N | 25 | Very low | 25.2 | Very low | 156 Ų | 156 | 125.2 Ų | 125.2 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | -158.2 | 161.3 | 114.8 | -124.5 | -64.2 | 0 | 0 | 0 | 114.5 | |||||
| 349 | R | 24.4 | Very low | 24.9 | Very low | 219 Ų | 219 | 126.2 Ų | 126.2 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | -73.8 | 153 | -178.2 | -66.7 | 173.6 | 176.2 | 160.9 | -0.8 | 111.6 | I351 | R349-I351 PolarHBondContact O-N 3.31Å; R349-I351 VanDerWaalsContact O-N 3.14Å | ||
| 350 | T | 22 | Very low | 24.6 | Very low | 149 Ų | 149 | 131.3 Ų | 131.3 | 91% | 0.914 | 80% | 0.796 | S | S | * | * | trans | -62 | 107.9 | 166 | 30.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 351 | I | 26.7 | Very low | 24.8 | Very low | 166 Ų | 166 | 136 Ų | 136 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | trans | -117.6 | 137.4 | 157.2 | -62 | -177.8 | 0 | 0 | 0 | 107.6 | R349 | R349-I351 PolarHBondContact O-N 3.31Å; R349-I351 VanDerWaalsContact O-N 3.14Å | ||
| 352 | A | 24.2 | Very low | 24.7 | Very low | 77 Ų | 77 | 136.4 Ų | 136.4 | 64% | 0.636 | 82% | 0.818 | S | S | * | * | trans | -100.5 | 173 | -162 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 353 | N | 26.1 | Very low | 24.9 | Very low | 161 Ų | 161 | 138.9 Ų | 138.9 | 86% | 0.861 | 82% | 0.822 | S | S | * | * | trans | 88.1 | 91.1 | 155.7 | -55.8 | -31.7 | 0 | 0 | 0 | 119.9 | ||||
| 354 | G | 26.9 | Very low | 24.9 | Very low | 76 Ų | 76 | 132.7 Ų | 132.7 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | 90.4 | 161.8 | 124.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 355 | S | 25.8 | Very low | 25.1 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | cis | -175.7 | 136.7 | -18.7 | 41.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 356 | G | 27.2 | Very low | 25.2 | Very low | 83 Ų | 83 | 134.5 Ų | 134.5 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | 81.9 | 158.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 357 | S | 27.7 | Very low | 25.3 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | cis | -149.9 | 150.2 | -7.8 | -169.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 358 | A | 23.6 | Very low | 25.4 | Very low | 97 Ų | 97 | 136.1 Ų | 136.1 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -96.4 | 151.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 359 | S | 27.2 | Very low | 25.5 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -140 | 154.7 | 159.3 | -165.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 360 | R | 22.1 | Very low | 25.6 | Very low | 203 Ų | 203 | 133.1 Ų | 133.1 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | trans | -103 | 164.1 | -176 | -63 | 168.8 | 170.8 | 148.5 | -5.8 | 110.2 | ||||
| 361 | N | 26.9 | Very low | 25.8 | Very low | 173 Ų | 173 | 133.8 Ų | 133.8 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | -158.7 | 176 | 120.1 | -98.6 | -22.7 | 0 | 0 | 0 | 112.1 | |||||
| 362 | S | 23.2 | Very low | 25.6 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -121 | -169.5 | -163.5 | -169.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 363 | L | 26.1 | Very low | 25.7 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | 94.7 | 150.8 | 170.5 | -52.9 | 165.7 | 0 | 0 | 0 | 116 | ||||
| 364 | D | 23.1 | Very low | 25.7 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 64% | 0.642 | 79% | 0.788 | S | S | * | * | cis | -166.4 | 129.4 | -35.2 | -175.8 | 7.1 | 0 | 0 | 0 | 107.6 | S366 | D364-S366 PolarHBondContact OD1-N 2.9Š| ||
| 365 | I | 26.7 | Very low | 25.6 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 70% | 0.697 | 78% | 0.779 | S | S | * | * | trans | -144.3 | 58.4 | 176 | -41.4 | 179.2 | 0 | 0 | 0 | 112.1 | F367 L368 | I365-F367 PolarHBondContact O-N 3.45Å; I365-L368 HydrophobicContact CG2-CD1 4.34Å; I365-L368 HydrophobicContact CG2-CG 4.37Å | ||
| 366 | S | 24.8 | Very low | 25.6 | Very low | 99 Ų | 99 | 137.5 Ų | 137.5 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | 32.2 | 163.5 | 73.1 | 0 | 0 | 0 | 0 | 113.4 | D364 | D364-S366 PolarHBondContact OD1-N 2.9Š|
| 367 | F | 27.8 | Very low | 25.4 | Very low | 170 Ų | 170 | 143.6 Ų | 143.6 | 75% | 0.746 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.7 | -16.1 | -164.8 | -165.1 | -108.9 | 0 | 0 | 0 | 115.8 | I365 | I365-F367 PolarHBondContact O-N 3.45Š|
| 368 | L | 26.6 | Very low | 25.1 | Very low | 133 Ų | 133 | 143.5 Ų | 143.5 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -101.8 | 5.7 | -173.5 | -71 | 177.4 | 0 | 0 | 0 | 115.8 | I365 N370 | I365-L368 HydrophobicContact CG2-CD1 4.34Å; I365-L368 HydrophobicContact CG2-CG 4.37Å; L368-N370 PolarHBondContact O-N 3.22Å |
| 369 | E | 25.6 | Very low | 25.2 | Very low | 179 Ų | 179 | 145 Ų | 145 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -3.4 | 175.2 | -65.3 | -166.3 | 125.6 | 0 | 0 | 114.2 | ||
| 370 | N | 27 | Very low | 25 | Very low | 133 Ų | 133 | 143.6 Ų | 143.6 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | 19.4 | -165.6 | -76.5 | -49.8 | 0 | 0 | 0 | 116.5 | L368 | L368-N370 PolarHBondContact O-N 3.22Š|
| 371 | L | 25.8 | Very low | 25 | Very low | 162 Ų | 162 | 140.8 Ų | 140.8 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | trans | -127.5 | 58 | -179.8 | -76.2 | 172.8 | 0 | 0 | 0 | 115.1 | ||||
| 372 | F | 23.1 | Very low | 25 | Very low | 196 Ų | 196 | 140.6 Ų | 140.6 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | trans | -115.8 | 170.2 | 150.1 | -76.9 | -81.3 | 0 | 0 | 0 | 107.9 | ||||
| 373 | P | 27.3 | Very low | 25 | Very low | 101 Ų | 101 | 146.5 Ų | 146.5 | 66% | 0.656 | 76% | 0.757 | S | S | * | * | cis | -127.8 | -176.1 | -13.3 | 40.8 | -26.1 | 0 | 0 | 0 | 113 | ||||
| 374 | I | 25.6 | Very low | 25 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 82% | 0.821 | 75% | 0.75 | S | S | * | * | trans | -175.2 | 110.5 | 147.5 | -95.4 | 148.9 | 0 | 0 | 0 | 104.5 | ||||
| 375 | V | 23.8 | Very low | 25.2 | Very low | 101 Ų | 101 | 143.8 Ų | 143.8 | 61% | 0.612 | 76% | 0.755 | S | S | * | * | 64.8 | 115.4 | 64.7 | -174.1 | 0 | 0 | 0 | 0 | 110 | |||||
| 376 | V | 25.6 | Very low | 25.2 | Very low | 122 Ų | 122 | 146.5 Ų | 146.5 | 74% | 0.739 | 77% | 0.765 | S | S | * | * | -152 | 116.5 | 71.8 | 171.4 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 377 | R | 23 | Very low | 25.4 | Very low | 212 Ų | 212 | 148.4 Ų | 148.4 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | 52.4 | 136 | 105.3 | -55.6 | -178.3 | 176.8 | -173.7 | -0.5 | 117.6 | |||||
| 378 | P | 22.2 | Very low | 25.2 | Very low | 123 Ų | 123 | 145.7 Ų | 145.7 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | trans | -80.9 | 149.3 | 174.3 | 34.9 | -35.5 | 0 | 0 | 0 | 112.7 | ||||
| 379 | V | 25.2 | Very low | 25.2 | Very low | 127 Ų | 127 | 152.2 Ų | 152.2 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -141.6 | 92 | 169.9 | 177.7 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 380 | S | 23.9 | Very low | 25.4 | Very low | 97 Ų | 97 | 150.4 Ų | 150.4 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | 54.1 | 117.1 | 78.4 | 79.1 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 381 | E | 22.7 | Very low | 25.6 | Very low | 144 Ų | 144 | 147 Ų | 147 | 67% | 0.673 | 77% | 0.768 | S | S | * | * | trans | -53.1 | 139 | -180 | -58.1 | 159.2 | 92.3 | 0 | 0 | 112.1 | ||||
| 382 | N | 26 | Very low | 25.8 | Very low | 169 Ų | 169 | 145.8 Ų | 145.8 | 90% | 0.904 | 76% | 0.762 | S | S | * | * | trans | -134.6 | 104.1 | 149.9 | -110.1 | -10.5 | 0 | 0 | 0 | 108.2 | ||||
| 383 | R | 23.3 | Very low | 26.1 | Very low | 233 Ų | 233 | 144.3 Ų | 144.3 | 88% | 0.879 | 76% | 0.758 | S | S | * | * | trans | -80.4 | 160.2 | 166.9 | -167.1 | 174.7 | -174.4 | 157.5 | -1.1 | 108 | ||||
| 384 | A | 25.2 | Very low | 26.4 | Very low | 83 Ų | 83 | 143.1 Ų | 143.1 | 69% | 0.686 | 76% | 0.757 | S | S | * | * | trans | 86.7 | 160.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 385 | D | 29.1 | Very low | 26.7 | Very low | 140 Ų | 140 | 144.2 Ų | 144.2 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | trans | 68.2 | 60.5 | 166 | -55 | -14.1 | 0 | 0 | 0 | 118.7 | N387 | D385-N387 PolarHBondContact O-N 2.89Š| ||
| 386 | Q | 26.1 | Very low | 27.3 | Very low | 193 Ų | 193 | 145 Ų | 145 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | -55.6 | 113.5 | 129.5 | -69.3 | 174.7 | -27 | 0 | 0 | 108.9 | |||||
| 387 | N | 27.9 | Very low | 27.6 | Very low | 138 Ų | 138 | 142.4 Ų | 142.4 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | trans | -167.9 | 77.3 | 163.5 | -94.6 | -37.9 | 0 | 0 | 0 | 111.9 | D385 | D385-N387 PolarHBondContact O-N 2.89Š| ||
| 388 | N | 25.3 | Very low | 27.9 | Very low | 114 Ų | 114 | 138.3 Ų | 138.3 | 61% | 0.61 | 77% | 0.767 | S | S | * | * | 176.5 | 100.8 | 124.6 | -110.6 | 48.8 | 0 | 0 | 0 | 110.8 | D390 | N388-D390 VanDerWaalsContact ND2-CG 3.25Å; N388-D390 PolarHBondContact ND2-OD1 3.43Å; N388-D390 VanDerWaalsContact ND2-OD1 3.17Å; N388-D390 PolarHBondContact ND2-OD2 2.88Å | |||
| 389 | W | 24.7 | Very low | 28.6 | Very low | 270 Ų | 270 | 137.2 Ų | 137.2 | 100% | 1.023 | 76% | 0.76 | S | S | * | * | trans | -118.5 | 109.1 | 138 | -107.2 | 33.8 | 0 | 0 | 0 | 105 | ||||
| 390 | D | 31.2 | Very low | 28.7 | Very low | 140 Ų | 140 | 138.8 Ų | 138.8 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | trans | -70.3 | 145.4 | 179 | -66.8 | -74 | 0 | 0 | 0 | 111.2 | N388 | N388-D390 VanDerWaalsContact ND2-CG 3.25Å; N388-D390 PolarHBondContact ND2-OD1 3.43Å; N388-D390 VanDerWaalsContact ND2-OD1 3.17Å; N388-D390 PolarHBondContact ND2-OD2 2.88Å | ||
| 391 | G | 30.4 | Very low | 29 | Very low | 62 Ų | 62 | 137.5 Ų | 137.5 | 64% | 0.639 | 77% | 0.766 | S | S | * | * | trans | 114.5 | 95.2 | 158.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 392 | N | 30.5 | Very low | 29.4 | Very low | 136 Ų | 136 | 138 Ų | 138 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | 53.2 | 137.6 | 124.7 | -69.5 | 42.3 | 0 | 0 | 0 | 120.6 | |||||
| 393 | E | 28.9 | Very low | 29.7 | Very low | 166 Ų | 166 | 141 Ų | 141 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | cis | -169.1 | 177.5 | -4.1 | -129.3 | 165.8 | 177.8 | 0 | 0 | 111.6 | ||||
| 394 | A | 33.6 | Very low | 30.3 | Very low | 76 Ų | 76 | 134.5 Ų | 134.5 | 63% | 0.628 | 76% | 0.76 | S | S | * | * | trans | 68.6 | 92.5 | 152 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 395 | H | 33.3 | Very low | 30.4 | Very low | 183 Ų | 183 | 134.6 Ų | 134.6 | 85% | 0.847 | 76% | 0.756 | S | S | * | * | 59.4 | 158.5 | 105.1 | -68.4 | -55.6 | 0 | 0 | 0 | 121.7 | |||||
| 396 | P | 34.8 | Very low | 30.5 | Very low | 118 Ų | 118 | 136 Ų | 136 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | -141.8 | 173.4 | -61.7 | 38.5 | -19.8 | 0 | 0 | 0 | 114.2 | |||||
| 397 | G | 32 | Very low | 30.8 | Very low | 67 Ų | 67 | 133.3 Ų | 133.3 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | trans | 115.3 | 130.7 | 130.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 398 | S | 29.6 | Very low | 31.1 | Very low | 125 Ų | 125 | 129.8 Ų | 129.8 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | trans | 76.7 | 159 | 142.5 | -70.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 399 | P | 37.1 | Very low | 31.4 | Very low | 100 Ų | 100 | 132.3 Ų | 132.3 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | trans | -128.6 | -157.2 | -149.6 | 42.8 | -24.4 | 0 | 0 | 0 | 113.8 | ||||
| 400 | D | 28 | Very low | 31.9 | Very low | 160 Ų | 160 | 123.1 Ų | 123.1 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | trans | 70.7 | 146 | 170.4 | -54.6 | -38.2 | 0 | 0 | 0 | 117 | ||||
| 401 | G | 29.3 | Very low | 31.9 | Very low | 70 Ų | 70 | 124 Ų | 124 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | 152.9 | 71.1 | 175 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 402 | N | 30.4 | Very low | 31.9 | Very low | 156 Ų | 156 | 127.8 Ų | 127.8 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | trans | 10.7 | 134.1 | 155 | -57.7 | -33.4 | 0 | 0 | 0 | 120.3 | ||||
| 403 | R | 32.4 | Very low | 31.7 | Very low | 232 Ų | 232 | 125.8 Ų | 125.8 | 88% | 0.875 | 76% | 0.76 | S | S | * | * | 48.8 | 153.6 | 71.9 | -103.5 | -159 | 171.5 | -147.6 | -1 | 114.4 | |||||
| 404 | P | 35.7 | Very low | 31.9 | Very low | 95 Ų | 95 | 123.4 Ų | 123.4 | 62% | 0.617 | 76% | 0.762 | S | S | * | * | cis | -142.4 | -167 | 18.6 | 32.9 | -7.7 | 0 | 0 | 0 | 116.6 | ||||
| 405 | S | 28.4 | Very low | 31.4 | Very low | 85 Ų | 85 | 131.1 Ų | 131.1 | 59% | 0.594 | 78% | 0.775 | S | S | * | * | trans | 70.5 | 141.9 | 140.2 | 53.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 406 | E | 30.2 | Very low | 31.1 | Very low | 171 Ų | 171 | 129.5 Ų | 129.5 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | cis | -161.4 | 162.5 | -3.9 | -123.4 | 153.6 | -136.2 | 0 | 0 | 115.7 | ||||
| 407 | T | 33.8 | Very low | 30.6 | Very low | 135 Ų | 135 | 128.5 Ų | 128.5 | 83% | 0.828 | 77% | 0.767 | S | S | * | * | trans | 61.3 | 134.9 | 163.9 | 59.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 408 | G | 33.3 | Very low | 30.2 | Very low | 64 Ų | 64 | 133.2 Ų | 133.2 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | cis | 174.4 | 155.4 | -9.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 409 | N | 32.5 | Very low | 30 | Very low | 167 Ų | 167 | 133.4 Ų | 133.4 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | trans | 70.6 | 127.8 | 150 | -53.6 | 0.7 | 0 | 0 | 0 | 120.3 | ||||
| 410 | G | 34 | Very low | 29.5 | Very low | 78 Ų | 78 | 138.5 Ų | 138.5 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | 172 | 44.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 411 | D | 32 | Very low | 29.5 | Very low | 159 Ų | 159 | 134.7 Ų | 134.7 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | -68.4 | 170.9 | -178.9 | -58.9 | -33 | 0 | 0 | 0 | 113.7 | ||||
| 412 | D | 29.9 | Very low | 29.3 | Very low | 140 Ų | 140 | 141.4 Ų | 141.4 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | cis | -175.7 | 155.4 | -34 | -177.3 | 15.4 | 0 | 0 | 0 | 107.9 | ||||
| 413 | S | 27.5 | Very low | 29.1 | Very low | 94 Ų | 94 | 138.2 Ų | 138.2 | 66% | 0.657 | 79% | 0.786 | S | S | * | * | trans | 43.3 | 104 | 152.4 | -72.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 414 | S | 31.5 | Very low | 28.9 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | -171.3 | 133.5 | 124.2 | 29 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 415 | R | 24.7 | Very low | 28.4 | Very low | 238 Ų | 238 | 135.5 Ų | 135.5 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | cis | 96.4 | 139.1 | 41.2 | -168.5 | -174.5 | -169.6 | 158.3 | 3.1 | 111.4 | ||||
| 416 | I | 26.2 | Very low | 28.2 | Very low | 149 Ų | 149 | 138.9 Ų | 138.9 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | 112.2 | 99.8 | 167.9 | -59.4 | 174.5 | 0 | 0 | 0 | 116.5 | ||||
| 417 | S | 25.1 | Very low | 28 | Very low | 98 Ų | 98 | 135.2 Ų | 135.2 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | trans | 63.7 | 111.1 | 135.2 | -55.1 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 418 | L | 23.4 | Very low | 27.7 | Very low | 166 Ų | 166 | 136.2 Ų | 136.2 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | 27.1 | 122.9 | 104.5 | -61.6 | 167.4 | 0 | 0 | 0 | 118.4 | |||||
| 419 | S | 24.9 | Very low | 27.2 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | -164.7 | 159 | 124.3 | 46.2 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 420 | F | 25.9 | Very low | 26.9 | Very low | 208 Ų | 208 | 133.8 Ų | 133.8 | 91% | 0.912 | 77% | 0.772 | S | S | * | * | trans | -116.9 | 125.3 | 178.6 | 172.1 | -83.2 | 0 | 0 | 0 | 106.2 | ||||
| 421 | G | 27.4 | Very low | 26.5 | Very low | 79 Ų | 79 | 137.4 Ų | 137.4 | 81% | 0.814 | 77% | 0.768 | S | S | * | * | trans | -149.9 | 137.8 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 422 | R | 26.7 | Very low | 26.3 | Very low | 211 Ų | 211 | 135.3 Ų | 135.3 | 80% | 0.796 | 76% | 0.756 | S | S | * | * | trans | -148.7 | 125.4 | -177.4 | 167.1 | -173 | 169.3 | 171.7 | -2.4 | 109.8 | E424 | R422-E424 IonicContact CZ-OE1 2.96Å; R422-E424 IonicContact NE-OE1 2.81Å; R422-E424 PolarHBondContact NE-OE1 3.3Å; R422-E424 IonicContact NH2-OE1 3.48Å; R422-E424 PolarHBondContact NH2-OE1 3.06Å | ||
| 423 | A | 26.3 | Very low | 26.2 | Very low | 89 Ų | 89 | 133.6 Ų | 133.6 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | trans | -166.9 | 143 | 153.2 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 424 | E | 27.3 | Very low | 26.2 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 61% | 0.612 | 75% | 0.749 | S | S | * | * | cis | 76.3 | 140.5 | 34.1 | -61.2 | 171.4 | -147.7 | 0 | 0 | 113.8 | R422 | R422-E424 IonicContact CZ-OE1 2.96Å; R422-E424 IonicContact NE-OE1 2.81Å; R422-E424 PolarHBondContact NE-OE1 3.3Å; R422-E424 IonicContact NH2-OE1 3.48Å; R422-E424 PolarHBondContact NH2-OE1 3.06Å | ||
| 425 | D | 26.6 | Very low | 26.1 | Very low | 140 Ų | 140 | 138.3 Ų | 138.3 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | trans | 72 | 152.6 | 173.1 | -62.3 | -13.9 | 0 | 0 | 0 | 120.6 | ||||
| 426 | M | 24.1 | Very low | 26.3 | Very low | 155 Ų | 155 | 131 Ų | 131 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | cis | -170.6 | 137.4 | -34.5 | -162 | -178.3 | -57.9 | 0 | 0 | 110.1 | ||||
| 427 | A | 24.7 | Very low | 26.4 | Very low | 95 Ų | 95 | 129.6 Ų | 129.6 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | 61.2 | 178.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 428 | I | 27.3 | Very low | 26.7 | Very low | 156 Ų | 156 | 129.4 Ų | 129.4 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | cis | -133.2 | 170.5 | 17.8 | -70.6 | 175.6 | 0 | 0 | 0 | 110.4 | ||||
| 429 | S | 23.6 | Very low | 27.1 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | trans | -56.5 | 179.2 | 171.5 | 63.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 430 | S | 25.5 | Very low | 27.3 | Very low | 82 Ų | 82 | 129.8 Ų | 129.8 | 57% | 0.573 | 75% | 0.747 | S | S | * | * | cis | -171.3 | 157.4 | 27.6 | -6.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 431 | Q | 26.4 | Very low | 27.8 | Very low | 155 Ų | 155 | 127.7 Ų | 127.7 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | trans | 67 | 140.8 | 138.2 | -77.3 | 179.3 | -105.5 | 0 | 0 | 121.9 | ||||
| 432 | D | 26.9 | Very low | 27.8 | Very low | 114 Ų | 114 | 128.3 Ų | 128.3 | 61% | 0.61 | 74% | 0.736 | S | S | * | * | trans | 63 | 140 | 134 | -52 | 1.4 | 0 | 0 | 0 | 118.7 | ||||
| 433 | N | 27.9 | Very low | 28.1 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 56% | 0.561 | 74% | 0.741 | S | S | * | * | cis | -160.1 | 158.2 | 3.8 | -117.1 | 12.2 | 0 | 0 | 0 | 112.9 | ||||
| 434 | E | 29 | Very low | 28.4 | Very low | 148 Ų | 148 | 127.7 Ų | 127.7 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | trans | 56.1 | 129.7 | 136 | -65.1 | 162.2 | 164.1 | 0 | 0 | 123.5 | ||||
| 435 | D | 27.7 | Very low | 28.6 | Very low | 160 Ų | 160 | 129.8 Ų | 129.8 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | trans | 66 | 134 | 131.7 | -58 | -5.1 | 0 | 0 | 0 | 123.2 | ||||
| 436 | G | 30 | Very low | 28.8 | Very low | 84 Ų | 84 | 126.7 Ų | 126.7 | 87% | 0.866 | 75% | 0.752 | S | S | * | * | trans | -178.3 | 61.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 437 | S | 28.9 | Very low | 29 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | trans | -88.9 | 151.9 | -177.3 | 53.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 438 | A | 30.3 | Very low | 29.2 | Very low | 94 Ų | 94 | 129 Ų | 129 | 78% | 0.777 | 75% | 0.753 | S | S | * | * | trans | -171.5 | 103.3 | 150.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 439 | M | 31.4 | Very low | 29.4 | Very low | 165 Ų | 165 | 128.1 Ų | 128.1 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | 54.9 | 129.7 | 123.4 | -78.2 | 169.5 | 164.4 | 0 | 0 | 125.3 | |||||
| 440 | D | 29.3 | Very low | 29.5 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | trans | 71.8 | 156.9 | 131 | -54 | -7 | 0 | 0 | 0 | 119.3 | ||||
| 441 | I | 35.7 | Very low | 29.9 | Very low | 164 Ų | 164 | 136 Ų | 136 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | cis | -133.5 | 156 | 24.1 | -67.1 | 168.1 | 0 | 0 | 0 | 113.3 | ||||
| 442 | S | 27.6 | Very low | 30 | Very low | 93 Ų | 93 | 137 Ų | 137 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | trans | -74.9 | 164.8 | -178.1 | 55.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 443 | S | 34.5 | Very low | 29.9 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | trans | -154 | 160.1 | 142 | -79.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 444 | Q | 31.7 | Very low | 30 | Very low | 158 Ų | 158 | 139.4 Ų | 139.4 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | trans | -116.9 | 176.5 | -152.7 | -106.5 | 166.4 | -116.5 | 0 | 0 | 115.9 | ||||
| 445 | E | 31.6 | Very low | 29.7 | Very low | 175 Ų | 175 | 141 Ų | 141 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | 81.1 | 144.4 | 151.4 | -79.8 | 144.8 | -132.8 | 0 | 0 | 120.5 | ||||
| 446 | G | 31.2 | Very low | 30 | Very low | 75 Ų | 75 | 139.8 Ų | 139.8 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | 177.1 | -39.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 447 | D | 27.8 | Very low | 29.8 | Very low | 157 Ų | 157 | 144.3 Ų | 144.3 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | trans | 37.2 | 149.6 | 165.3 | -103.2 | -5.2 | 0 | 0 | 0 | 124.5 | ||||
| 448 | I | 30.1 | Very low | 30 | Very low | 141 Ų | 141 | 148 Ų | 148 | 72% | 0.723 | 80% | 0.801 | S | S | * | * | trans | 95.9 | 101.2 | 148.9 | -72 | 159.6 | 0 | 0 | 0 | 122.5 | ||||
| 449 | L | 29.9 | Very low | 29.9 | Very low | 137 Ų | 137 | 151.7 Ų | 151.7 | 72% | 0.717 | 81% | 0.807 | S | S | * | * | trans | 64.5 | 115.8 | 131.9 | -53.4 | 179.3 | 0 | 0 | 0 | 124.9 | ||||
| 450 | D | 27.1 | Very low | 30 | Very low | 147 Ų | 147 | 147.6 Ų | 147.6 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | 34.4 | 132.2 | 113.2 | -45.5 | -19.9 | 0 | 0 | 0 | 122.5 | |||||
| 451 | E | 34.1 | Very low | 30 | Very low | 199 Ų | 199 | 150.2 Ų | 150.2 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | -157.9 | 162.6 | 120 | -131.1 | 176.2 | -155.2 | 0 | 0 | 113.4 | |||||
| 452 | E | 27.2 | Very low | 29.7 | Very low | 176 Ų | 176 | 153.5 Ų | 153.5 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | trans | -112.9 | 152.2 | -170.8 | -81.1 | -168.2 | 121.2 | 0 | 0 | 114.8 | ||||
| 453 | V | 25.8 | Very low | 29.8 | Very low | 118 Ų | 118 | 153.5 Ų | 153.5 | 72% | 0.715 | 82% | 0.817 | S | S | * | * | trans | 25.5 | 130 | 137.2 | -167.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 454 | I | 28.9 | Very low | 29.6 | Very low | 151 Ų | 151 | 153.5 Ų | 153.5 | 77% | 0.774 | 81% | 0.812 | S | S | * | * | 179.5 | 144.2 | 124.6 | -92.5 | 154.4 | 0 | 0 | 0 | 111 | V456 | I454-V456 HydrophobicContact CG2-CG2 3.9Š| |||
| 455 | M | 24 | Very low | 29.3 | Very low | 182 Ų | 182 | 150.6 Ų | 150.6 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | trans | -107.6 | 140.4 | 162.9 | -56.9 | -151 | -43.5 | 0 | 0 | 110.7 | ||||
| 456 | V | 32.1 | Very low | 29.4 | Very low | 134 Ų | 134 | 148 Ų | 148 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | -144.6 | 146.4 | 159 | -165.8 | 0 | 0 | 0 | 0 | 109.2 | I454 | I454-V456 HydrophobicContact CG2-CG2 3.9Š| ||
| 457 | E | 27.2 | Very low | 29.5 | Very low | 179 Ų | 179 | 149.4 Ų | 149.4 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | trans | -88.6 | 167.1 | 178.2 | -56.7 | 159.8 | 137.4 | 0 | 0 | 111.4 | ||||
| 458 | E | 32.4 | Very low | 29.5 | Very low | 198 Ų | 198 | 150.9 Ų | 150.9 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | 178.3 | 158.6 | 124.6 | -99.3 | -176.8 | -179.2 | 0 | 0 | 113.2 | |||||
| 459 | D | 28.4 | Very low | 29.6 | Very low | 170 Ų | 170 | 147.8 Ų | 147.8 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | -79.4 | 155.7 | -170.7 | -74.9 | -72.4 | 0 | 0 | 0 | 116 | ||||
| 460 | G | 32.5 | Very low | 29.7 | Very low | 79 Ų | 79 | 150.4 Ų | 150.4 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | trans | -162.2 | 82.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 461 | Q | 30.4 | Very low | 30.1 | Very low | 193 Ų | 193 | 152.3 Ų | 152.3 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | trans | -67.9 | 153.6 | 177.1 | -58.1 | 165.9 | -30.9 | 0 | 0 | 113.1 | ||||
| 462 | R | 29.9 | Very low | 30.2 | Very low | 233 Ų | 233 | 150 Ų | 150 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | 169.1 | 97.9 | 116.1 | -172.1 | 168.5 | -170 | 174.6 | 2.2 | 117 | |||||
| 463 | S | 29.1 | Very low | 30.4 | Very low | 92 Ų | 92 | 148.9 Ų | 148.9 | 64% | 0.643 | 81% | 0.81 | S | S | * | * | 64.5 | 146.9 | 128.4 | -50.3 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 464 | T | 30.4 | Very low | 30.9 | Very low | 130 Ų | 130 | 152.8 Ų | 152.8 | 80% | 0.798 | 82% | 0.82 | S | S | * | * | trans | 71.1 | 142.9 | 144.8 | 42.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 465 | S | 25.8 | Very low | 31 | Very low | 97 Ų | 97 | 154.6 Ų | 154.6 | 68% | 0.678 | 83% | 0.826 | S | S | * | * | cis | -179.6 | -172.6 | -18.7 | 46.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 466 | V | 33.6 | Very low | 31.7 | Very low | 121 Ų | 121 | 155.4 Ų | 155.4 | 73% | 0.733 | 83% | 0.827 | S | S | * | * | trans | 83.1 | 99.9 | 173.7 | -176.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 467 | T | 32.9 | Very low | 31.8 | Very low | 104 Ų | 104 | 157.6 Ų | 157.6 | 64% | 0.638 | 83% | 0.829 | S | S | * | * | 62.9 | 141.9 | 64.7 | 71.3 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 468 | E | 28.6 | Very low | 32.2 | Very low | 187 Ų | 187 | 156.3 Ų | 156.3 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | cis | -168.2 | 161.2 | -9.4 | -109.3 | 155.2 | -157.1 | 0 | 0 | 105.5 | ||||
| 469 | G | 31.9 | Very low | 32.6 | Very low | 76 Ų | 76 | 154.7 Ų | 154.7 | 78% | 0.784 | 83% | 0.825 | S | S | * | * | trans | 165 | 106.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 470 | E | 30.7 | Very low | 33 | Very low | 193 Ų | 193 | 154.4 Ų | 154.4 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | trans | -107.2 | -160.6 | 169.6 | -63.5 | 174.1 | 138.9 | 0 | 0 | 108.3 | ||||
| 471 | E | 36.2 | Very low | 33.5 | Very low | 186 Ų | 186 | 157 Ų | 157 | 87% | 0.869 | 82% | 0.823 | S | S | * | * | trans | 86 | 136.9 | -172.3 | -54.5 | 171 | -162.3 | 0 | 0 | 115.4 | ||||
| 472 | D | 35.3 | Very low | 33.7 | Very low | 152 Ų | 152 | 156.7 Ų | 156.7 | 81% | 0.813 | 82% | 0.822 | S | S | * | * | cis | -165.1 | 176.6 | -34.3 | -107.6 | 2.2 | 0 | 0 | 0 | 108.7 | ||||
| 473 | D | 32.4 | Very low | 34 | Very low | 152 Ų | 152 | 151.9 Ų | 151.9 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | trans | -74.9 | 148.9 | -175.4 | -44 | -73.8 | 0 | 0 | 0 | 114.9 | ||||
| 474 | E | 35.9 | Very low | 34.5 | Very low | 200 Ų | 200 | 154.2 Ų | 154.2 | 94% | 0.935 | 82% | 0.819 | S | S | * | * | trans | -146.2 | 146.3 | 142.3 | -72.8 | -158.5 | 140.8 | 0 | 0 | 110.6 | ||||
| 475 | E | 32 | Very low | 34.7 | Very low | 189 Ų | 189 | 155.4 Ų | 155.4 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | -113.3 | 140.3 | 175.6 | -62 | 176.9 | 136.7 | 0 | 0 | 109.4 | ||||
| 476 | E | 37.3 | Very low | 35.3 | Very low | 198 Ų | 198 | 158 Ų | 158 | 93% | 0.925 | 82% | 0.822 | S | S | * | * | trans | -132.7 | 139.9 | 164 | -71.8 | -163.7 | 135 | 0 | 0 | 111 | ||||
| 477 | E | 34.3 | Very low | 35.5 | Very low | 181 Ų | 181 | 155.2 Ų | 155.2 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | -109.1 | 164.6 | 177.5 | -67 | -176.6 | 123.9 | 0 | 0 | 110.8 | ||||
| 478 | D | 36.1 | Very low | 35.6 | Very low | 151 Ų | 151 | 156 Ų | 156 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | trans | 60.8 | 114 | 162.4 | -60.3 | -14.5 | 0 | 0 | 0 | 120.1 | ||||
| 479 | D | 40.5 | Very low | 36 | Very low | 164 Ų | 164 | 155 Ų | 155 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -145.7 | 116 | 144.7 | -132.9 | -13.4 | 0 | 0 | 0 | 109.1 | ||||
| 480 | D | 38.1 | Very low | 36.2 | Very low | 164 Ų | 164 | 158.3 Ų | 158.3 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | trans | -79.1 | 122 | -175.7 | -82.1 | -50.3 | 0 | 0 | 0 | 111.7 | ||||
| 481 | V | 42 | Very low | 36.5 | Very low | 134 Ų | 134 | 157.1 Ų | 157.1 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | -133.3 | 96.3 | 165.8 | -173.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 482 | E | 35.5 | Very low | 36.5 | Very low | 186 Ų | 186 | 153 Ų | 153 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | trans | -74 | 120.1 | 158.6 | -65 | -177.1 | 139.5 | 0 | 0 | 108.6 | ||||
| 483 | N | 35.1 | Very low | 36.7 | Very low | 132 Ų | 132 | 153.3 Ų | 153.3 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | -169.2 | 161.9 | 140.7 | -125.2 | 37.9 | 0 | 0 | 0 | 114.8 | ||||
| 484 | D | 40 | Very low | 37 | Very low | 141 Ų | 141 | 152.6 Ų | 152.6 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | trans | 72.7 | 132.2 | 161.8 | -52.7 | -36.2 | 0 | 0 | 0 | 118.1 | ||||
| 485 | E | 34.3 | Very low | 37.1 | Very low | 155 Ų | 155 | 149.5 Ų | 149.5 | 72% | 0.724 | 76% | 0.759 | S | S | * | * | trans | -112 | 110.4 | -167.8 | -62.1 | 178.3 | 130.1 | 0 | 0 | 109.7 | ||||
| 486 | D | 39.4 | Very low | 37.3 | Very low | 152 Ų | 152 | 148.3 Ų | 148.3 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | trans | -139 | 142.1 | 162.2 | -92.1 | -55.7 | 0 | 0 | 0 | 109.6 | ||||
| 487 | E | 36.2 | Very low | 37.4 | Very low | 62 Ų | 62 | 147.5 Ų | 147.5 | 29% | 0.29 | 76% | 0.761 | S | S | . | * | trans | -102.4 | 177.6 | 170.5 | -41.7 | 94 | -141.3 | 0 | 0 | 110.5 | R785 S786 | E487-R785 HydrophobicContact CB-CG 3.79Å; E487-R785 HydrophobicContact CG-CG 4.12Å; E487-R785 PolarHBondContact O-NH1 2.67Å; E487-R785 PolarHBondContact O-NH2 3.4Å; E487-R785 WeakPolarHBondContact OE2-CA 3.38Å; E487-R785 WeakPolarHBondContact OE2-CB 3.49Å; E487-R785 VanDerWaalsContact OE2-CD 3.26Å; E487-R785 WeakPolarHBondContact OE2-CD 3.49Å; E487-R785 WeakPolarHBondContact OE2-CG 3.36Å; E487-R785 IonicContact OE2-CZ 3.17Å; E487-R785 IonicContact OE2-NE 2.66Å; E487-R785 IonicContact OE2-NH1 3.35Å; E487-R785 PolarHBondContact OE2-NH1 3.47Å; E487-S786 VanDerWaalsContact CD-N 3.34Å; E487-S786 WeakPolarHBondContact OE1-CB 3.45Å; E487-S786 PolarHBondContact OE1-OG 3.09Å; E487-S786 PolarHBondContact OE2-N 3.27Å | ||
| 488 | E | 36.7 | Very low | 37.4 | Very low | 121 Ų | 121 | 148.1 Ų | 148.1 | 57% | 0.565 | 76% | 0.763 | S | S | * | * | trans | -153.9 | 140.3 | 144 | -153.9 | 65.8 | -92.4 | 0 | 0 | 108.2 | E490 R785 | E488-E490 HydrophobicContact CG-CG 3.88Å; E488-R785 IonicContact OE1-CZ 3.2Å; E488-R785 IonicContact OE1-NE 3.58Å; E488-R785 PolarHBondContact OE1-NE 3.36Å; E488-R785 IonicContact OE1-NH2 3.01Å; E488-R785 PolarHBondContact OE1-NH2 3.01Å; E488-R785 IonicContact OE2-CZ 2.73Å; E488-R785 IonicContact OE2-NH2 2.79Å; E488-R785 PolarHBondContact OE2-NH2 2.85Å | ||
| 489 | E | 35.7 | Very low | 37.4 | Very low | 166 Ų | 166 | 151.6 Ų | 151.6 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | -128.7 | 92 | 168.9 | -82.1 | -168.2 | 153.8 | 0 | 0 | 107.7 | ||||
| 490 | E | 35.8 | Very low | 37 | Very low | 146 Ų | 146 | 153.4 Ų | 153.4 | 68% | 0.682 | 77% | 0.77 | S | S | * | * | trans | -91.2 | 124.4 | 176.1 | -72.6 | 165.6 | 140.7 | 0 | 0 | 110.4 | E488 | E488-E490 HydrophobicContact CG-CG 3.88Š| ||
| 491 | D | 37.3 | Very low | 36.8 | Very low | 168 Ų | 168 | 154.6 Ų | 154.6 | 90% | 0.898 | 77% | 0.77 | S | S | * | * | trans | -96.9 | 85.1 | 168.2 | -89 | -45.1 | 0 | 0 | 0 | 107.7 | D493 | D491-D493 PolarHBondContact O-N 3.06Š| ||
| 492 | D | 37.4 | Very low | 36.3 | Very low | 100 Ų | 100 | 157.3 Ų | 157.3 | 54% | 0.535 | 77% | 0.774 | S | S | . | * | trans | -69.6 | 97.6 | -178 | -61.3 | -34.8 | 0 | 0 | 0 | 112.7 | ||||
| 493 | D | 39.3 | Very low | 36.3 | Very low | 158 Ų | 158 | 157.6 Ų | 157.6 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | -91.5 | 97.6 | 157.1 | -90.1 | -43.3 | 0 | 0 | 0 | 108.3 | D491 D495 | D491-D493 PolarHBondContact O-N 3.06Å; D493-D495 PolarHBondContact O-N 3.14Å | ||
| 494 | D | 38.5 | Very low | 36.1 | Very low | 137 Ų | 137 | 159.3 Ų | 159.3 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | -60.2 | 94.5 | -179.5 | -67.9 | -51.7 | 0 | 0 | 0 | 113.2 | ||||
| 495 | D | 37.8 | Very low | 35.9 | Very low | 134 Ų | 134 | 155.7 Ų | 155.7 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | trans | -113.7 | 123.5 | 164.9 | -90.4 | -24.2 | 0 | 0 | 0 | 110.6 | D493 | D493-D495 PolarHBondContact O-N 3.14Š| ||
| 496 | D | 36.5 | Very low | 35.9 | Very low | 165 Ų | 165 | 156.1 Ų | 156.1 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | trans | 27.2 | 99.9 | 163.4 | -63.1 | -26.8 | 0 | 0 | 0 | 121 | ||||
| 497 | D | 38.6 | Very low | 35.9 | Very low | 181 Ų | 181 | 155.1 Ų | 155.1 | 97% | 0.968 | 77% | 0.772 | S | S | * | * | trans | -77.4 | 112.5 | 168.1 | -87.6 | -43.3 | 0 | 0 | 0 | 114.1 | ||||
| 498 | E | 35.7 | Very low | 36 | Very low | 193 Ų | 193 | 160.2 Ų | 160.2 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -136.3 | 129.8 | 158.1 | -155 | 164.4 | -137.2 | 0 | 0 | 107.9 | ||||
| 499 | Y | 34.3 | Very low | 35.9 | Very low | 225 Ų | 225 | 161.3 Ų | 161.3 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | trans | -63.1 | 149.6 | -155.6 | -47.7 | -103.4 | 0 | 0 | 0 | 119.1 | ||||
| 500 | E | 33.1 | Very low | 36.2 | Very low | 202 Ų | 202 | 156.3 Ų | 156.3 | 94% | 0.944 | 79% | 0.794 | S | S | * | * | trans | -178.2 | 179 | 137.2 | -101.1 | 170.2 | -154.7 | 0 | 0 | 114.3 | ||||
| 501 | E | 33.3 | Very low | 36.3 | Very low | 188 Ų | 188 | 155.6 Ų | 155.6 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -130.1 | 137.7 | -154.3 | -56.2 | 172.6 | 146.9 | 0 | 0 | 119.3 | ||||
| 502 | E | 32.5 | Very low | 36.3 | Very low | 191 Ų | 191 | 154.9 Ų | 154.9 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | trans | 53.6 | 147.8 | 141.7 | -55.7 | -175.4 | 168.8 | 0 | 0 | 129.6 | ||||
| 503 | E | 34.1 | Very low | 36.3 | Very low | 192 Ų | 192 | 153.9 Ų | 153.9 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | trans | 70.2 | 162.6 | 167.7 | -60.1 | -157.8 | 109.6 | 0 | 0 | 122.9 | ||||
| 504 | E | 32.3 | Very low | 36.3 | Very low | 169 Ų | 169 | 153 Ų | 153 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | cis | -160.3 | 158.8 | 2.8 | -157 | -120.4 | 112.4 | 0 | 0 | 115.6 | ||||
| 505 | G | 36.4 | Very low | 36.5 | Very low | 65 Ų | 65 | 154 Ų | 154 | 67% | 0.67 | 80% | 0.802 | S | S | * | * | trans | 74 | 168.6 | 148.4 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 506 | E | 34.2 | Very low | 36.3 | Very low | 163 Ų | 163 | 155.6 Ų | 155.6 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | cis | -168.6 | 141.7 | -32.2 | -158.1 | -135.2 | 169.5 | 0 | 0 | 114.1 | ||||
| 507 | N | 38.6 | Very low | 36.4 | Very low | 131 Ų | 131 | 156.5 Ų | 156.5 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | trans | 43.6 | 165.7 | 152 | -93.7 | -37.2 | 0 | 0 | 0 | 125.8 | ||||
| 508 | E | 37.4 | Very low | 36.5 | Very low | 170 Ų | 170 | 157.3 Ų | 157.3 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | cis | -154.9 | -159.7 | -13.9 | -145.2 | -120.6 | 90.3 | 0 | 0 | 111.4 | ||||
| 509 | E | 36.1 | Very low | 36.6 | Very low | 143 Ų | 143 | 153.9 Ų | 153.9 | 67% | 0.668 | 79% | 0.786 | S | S | * | * | trans | -143.6 | 160.8 | -167 | -139.5 | -76 | 105.2 | 0 | 0 | 119.3 | N511 | E509-N511 PolarHBondContact OE2-ND2 3.32Š| ||
| 510 | G | 40.7 | Very low | 36.8 | Very low | 61 Ų | 61 | 151 Ų | 151 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | trans | 102 | 162.3 | 134.4 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 511 | N | 38.6 | Very low | 37.2 | Very low | 132 Ų | 132 | 146.7 Ų | 146.7 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | cis | -167.9 | 156 | -33.8 | -141.7 | -32.5 | 0 | 0 | 0 | 115.4 | E509 | E509-N511 PolarHBondContact OE2-ND2 3.32Š| ||
| 512 | D | 37.8 | Very low | 37.6 | Very low | 153 Ų | 153 | 144.2 Ų | 144.2 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | 60.9 | 164.8 | 152.2 | -129.5 | -16.2 | 0 | 0 | 0 | 127.2 | ||||
| 513 | A | 36.2 | Very low | 38.1 | Very low | 78 Ų | 78 | 140.6 Ų | 140.6 | 65% | 0.645 | 74% | 0.741 | S | S | * | * | trans | -155.4 | 171.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 514 | T | 39.1 | Very low | 38.5 | Very low | 141 Ų | 141 | 138.9 Ų | 138.9 | 87% | 0.865 | 73% | 0.733 | S | S | * | * | trans | -171.3 | 171.6 | 163.2 | 1.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 515 | D | 42.4 | Very low | 39.3 | Very low | 156 Ų | 156 | 134 Ų | 134 | 83% | 0.834 | 71% | 0.712 | S | S | * | * | trans | 85.4 | 117.8 | 161.6 | -65.3 | -8.4 | 0 | 0 | 0 | 123.1 | ||||
| 516 | Q | 35.4 | Very low | 39.8 | Very low | 168 Ų | 168 | 132.5 Ų | 132.5 | 79% | 0.785 | 69% | 0.688 | S | S | * | * | trans | -149.8 | 143.3 | 164.9 | -65.6 | -178.4 | -7.1 | 0 | 0 | 109.2 | ||||
| 517 | E | 38.7 | Very low | 40.3 | Very low | 185 Ų | 185 | 127.6 Ų | 127.6 | 86% | 0.864 | 67% | 0.667 | S | S | * | * | trans | -176.8 | -27.4 | 152.1 | -111.5 | 170.1 | -150 | 0 | 0 | 115.6 | E519 | E517-E519 PolarHBondContact O-N 3.06Š| ||
| 518 | E | 38.9 | Very low | 40.8 | Very low | 197 Ų | 197 | 129.2 Ų | 129.2 | 92% | 0.921 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -12.1 | -168.6 | -68.2 | -165.8 | 145.3 | 0 | 0 | 116.9 | ||
| 519 | E | 38.8 | Very low | 41.3 | Very low | 122 Ų | 122 | 126.3 Ų | 126.3 | 57% | 0.57 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -14.4 | -165.4 | -65.3 | -171.4 | 142.9 | 0 | 0 | 116 | K65 E517 S521 Y523 | K65-E519 IonicContact NZ-OE2 3.8Å; K65-E519 PolarHBondContact NZ-OE2 3.38Å; E517-E519 PolarHBondContact O-N 3.06Å; E519-S521 PolarHBondContact O-N 2.93Å; E519-Y523 WeakPolarHBondContact O-CD2 3.25Å |
| 520 | E | 39.1 | Very low | 41.9 | Very low | 164 Ų | 164 | 122 Ų | 122 | 77% | 0.766 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -68.2 | -31 | -163.3 | -63.1 | -164.3 | 133.5 | 0 | 0 | 115.3 | E522 | E520-E522 PolarHBondContact O-N 3.48Å |
| 521 | S | 40.1 | Very low | 42.1 | Very low | 112 Ų | 112 | 123.2 Ų | 123.2 | 78% | 0.783 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -78.9 | -14.9 | -167.2 | 70.7 | 0 | 0 | 0 | 0 | 116.3 | E519 | E519-S521 PolarHBondContact O-N 2.93Å |
| 522 | E | 42.6 | Very low | 42.6 | Very low | 136 Ų | 136 | 122.8 Ų | 122.8 | 64% | 0.636 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -90.7 | -18.9 | 179 | -166 | 165.7 | -158.3 | 0 | 0 | 112.9 | E520 I526 | E520-E522 PolarHBondContact O-N 3.48Å; E522-I526 HydrophobicContact CG-CD1 4.28Å; E522-I526 WeakPolarHBondContact O-CD1 3.35Å |
| 523 | Y | 43 | Very low | 43.1 | Very low | 114 Ų | 114 | 120.8 Ų | 120.8 | 45% | 0.447 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -68.8 | -39.7 | -173.3 | -93.8 | -105.5 | 0 | 0 | 0 | 114.6 | E519 D525 I526 N527 | E519-Y523 WeakPolarHBondContact O-CD2 3.25Å; Y523-D525 PolarHBondContact O-N 2.78Å; Y523-D525 VanDerWaalsContact O-N 3.17Å; Y523-I526 PolarHBondContact O-N 3.09Å; Y523-N527 PolarHBondContact O-N 3.09Å |
| 524 | E | 43.1 | Very low | 43.4 | Very low | 157 Ų | 157 | 119 Ų | 119 | 73% | 0.734 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.4 | -30.4 | -170.9 | -64.6 | -162.8 | 123 | 0 | 0 | 114.1 | ||
| 525 | D | 47.9 | Very low | 44 | Very low | 65 Ų | 65 | 119.7 Ų | 119.7 | 35% | 0.348 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -95.6 | -3.9 | -172.9 | -146.7 | 47.1 | 0 | 0 | 0 | 112.3 | R26 Y523 R528 | R26-D525 IonicContact CZ-OD2 2.67Å; R26-D525 PolarHBondContact NH1-O 2.79Å; R26-D525 IonicContact NH1-OD2 2.63Å; R26-D525 PolarHBondContact NH1-OD2 3.29Å; R26-D525 IonicContact NH2-OD2 2.77Å; R26-D525 PolarHBondContact NH2-OD2 2.97Å; Y523-D525 PolarHBondContact O-N 2.78Å; Y523-D525 VanDerWaalsContact O-N 3.17Å; D525-R528 IonicContact OD1-CZ 3.22Å; D525-R528 IonicContact OD1-NH1 2.78Å; D525-R528 PolarHBondContact OD1-NH1 3.48Å; D525-R528 IonicContact OD1-NH2 2.97Å; D525-R528 PolarHBondContact OD1-NH2 3Å |
| 526 | I | 47.9 | Very low | 44.3 | Very low | 34 Ų | 34 | 117.6 Ų | 117.6 | 17% | 0.174 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -88.9 | -47 | 172.1 | -75.4 | 165.9 | 0 | 0 | 0 | 110.6 | Y23 R26 E522 Y523 R528 N529 | Y23-I526 HydrophobicContact CE1-CB 4.36Å; Y23-I526 HydrophobicContact CE1-CD1 3.86Å; Y23-I526 HydrophobicContact CE1-CG1 3.88Å; Y23-I526 HydrophobicContact CE1-CG2 3.62Å; R26-I526 HydrophobicContact CG-CG1 4.25Å; E522-I526 HydrophobicContact CG-CD1 4.28Å; E522-I526 WeakPolarHBondContact O-CD1 3.35Å; Y523-I526 PolarHBondContact O-N 3.09Å; I526-R528 PolarHBondContact O-N 3.41Å; I526-R528 VanDerWaalsContact O-N 3.14Å; I526-N529 PolarHBondContact O-N 3.19Å |
| 527 | N | 44.3 | Very low | 44.7 | Very low | 61 Ų | 61 | 111.7 Ų | 111.7 | 33% | 0.326 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -56.8 | -32.9 | -175.3 | -95.7 | -3.9 | 0 | 0 | 0 | 113.6 | Y523 N529 L530 E531 | Y523-N527 PolarHBondContact O-N 3.09Å; N527-N529 PolarHBondContact O-N 3.23Å; N527-L530 WeakPolarHBondContact O-CB 3.34Å; N527-L530 PolarHBondContact O-N 3.23Å; N527-E531 PolarHBondContact O-N 3.35Å |
| 528 | R | 48.2 | Very low | 44.8 | Very low | 164 Ų | 164 | 104.6 Ų | 104.6 | 62% | 0.619 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66 | -31.3 | -174 | -134.7 | -179.7 | -57.2 | 128.9 | 16.2 | 114.5 | D525 I526 | D525-R528 IonicContact OD1-CZ 3.22Å; D525-R528 IonicContact OD1-NH1 2.78Å; D525-R528 PolarHBondContact OD1-NH1 3.48Å; D525-R528 IonicContact OD1-NH2 2.97Å; D525-R528 PolarHBondContact OD1-NH2 3Å; I526-R528 PolarHBondContact O-N 3.41Å; I526-R528 VanDerWaalsContact O-N 3.14Å |
| 529 | N | 49.2 | Very low | 45.1 | Very low | 110 Ų | 110 | 102 Ų | 102 | 59% | 0.588 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -83.8 | -32.4 | 174.7 | -72.5 | -15.4 | 0 | 0 | 0 | 111.6 | I526 N527 E531 E532 | I526-N529 PolarHBondContact O-N 3.19Å; N527-N529 PolarHBondContact O-N 3.23Å; N529-E531 PolarHBondContact O-N 3.24Å; N529-E532 PolarHBondContact O-N 2.97Å |
| 530 | L | 46.9 | Very low | 45.4 | Very low | 51 Ų | 51 | 101.9 Ų | 101.9 | 27% | 0.267 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.6 | -31 | -178.6 | -146 | 77.4 | 0 | 0 | 0 | 112.5 | W28 N527 E532 | W28-L530 HydrophobicContact CZ2-CD1 4.16Å; N527-L530 WeakPolarHBondContact O-CB 3.34Å; N527-L530 PolarHBondContact O-N 3.23Å; L530-E532 VanDerWaalsContact C-N 3.34Å; L530-E532 PolarHBondContact O-N 3.32Å |
| 531 | E | 45.5 | Very low | 45.5 | Very low | 88 Ų | 88 | 95.5 Ų | 95.5 | 41% | 0.411 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.2 | -32.1 | -178.3 | -161.2 | 177.7 | -163.4 | 0 | 0 | 112.3 | K75 N527 N529 | K75-E531 HydrophobicContact CD-CG 4.11Å; K75-E531 WeakPolarHBondContact CD-O 3.29Å; K75-E531 WeakPolarHBondContact CE-O 3.43Å; K75-E531 PolarHBondContact NZ-O 3.36Å; N527-E531 PolarHBondContact O-N 3.35Å; N529-E531 PolarHBondContact O-N 3.24Å |
| 532 | E | 49.4 | Very low | 45.6 | Very low | 122 Ų | 122 | 95.2 Ų | 95.2 | 57% | 0.57 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -70.7 | -53.3 | -174 | -154.1 | 71.3 | -88 | 0 | 0 | 112.5 | K75 N529 L530 L534 R535 | K75-E532 IonicContact NZ-OE1 2.89Å; K75-E532 PolarHBondContact NZ-OE1 3.31Å; N529-E532 PolarHBondContact O-N 2.97Å; L530-E532 VanDerWaalsContact C-N 3.34Å; L530-E532 PolarHBondContact O-N 3.32Å; E532-L534 PolarHBondContact O-N 3.44Å; E532-R535 WeakPolarHBondContact O-CB 3.41Å; E532-R535 PolarHBondContact O-N 3.3Å |
| 533 | D | 48.6 | Very low | 45.7 | Very low | 111 Ų | 111 | 96.6 Ų | 96.6 | 59% | 0.594 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -57 | -37.6 | -179 | -73.9 | -26 | 0 | 0 | 0 | 112.4 | R535 I536 | D533-R535 PolarHBondContact O-N 3.19Å; D533-I536 PolarHBondContact O-N 3.09Å |
| 534 | L | 42.9 | Very low | 45.8 | Very low | 42 Ų | 42 | 94.8 Ų | 94.8 | 22% | 0.22 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -54.2 | -23.4 | 176.8 | -125.2 | 74.7 | 0 | 0 | 0 | 113.6 | K75 L76 E532 M538 | K75-L534 HydrophobicContact CB-CB 4.24Å; K75-L534 HydrophobicContact CB-CD2 4.14Å; K75-L534 HydrophobicContact CD-CB 4.22Å; L76-L534 HydrophobicContact CB-CD2 4.34Å; L76-L534 HydrophobicContact CD1-CD2 4.04Å; L76-L534 HydrophobicContact CG-CD2 3.93Å; L76-L534 HydrophobicContact CG-CG 4.49Å; E532-L534 PolarHBondContact O-N 3.44Å; L534-M538 WeakPolarHBondContact O-CG 3.14Å; L534-M538 PolarHBondContact O-N 3.11Å |
| 535 | R | 50.6 | Low | 45.7 | Very low | 154 Ų | 154 | 89.4 Ų | 89.4 | 58% | 0.581 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -72.5 | -33.6 | -179.6 | -165.3 | 177.7 | -177.6 | 145.3 | 4.8 | 113 | K75 E532 D533 | K75-R535 HydrophobicContact CD-CB 3.98Å; E532-R535 WeakPolarHBondContact O-CB 3.41Å; E532-R535 PolarHBondContact O-N 3.3Å; D533-R535 PolarHBondContact O-N 3.19Å |
| 536 | I | 49.2 | Very low | 45.6 | Very low | 112 Ų | 112 | 95.5 Ų | 95.5 | 57% | 0.574 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -78.8 | -48.4 | -175.2 | -59.9 | 177 | 0 | 0 | 0 | 108.8 | D533 M538 Q539 | D533-I536 PolarHBondContact O-N 3.09Å; I536-M538 PolarHBondContact O-N 3.1Å; I536-Q539 PolarHBondContact O-N 2.92Å |
| 537 | S | 43.8 | Very low | 45.7 | Very low | 45 Ų | 45 | 100.5 Ų | 100.5 | 32% | 0.315 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -54.7 | -36 | 175.8 | -51.6 | 0 | 0 | 0 | 0 | 113.2 | Q539 E540 V541 | S537-Q539 PolarHBondContact O-N 2.68Å; S537-E540 PolarHBondContact O-N 3.16Å; S537-V541 WeakPolarHBondContact O-CG2 3.05Å; S537-V541 PolarHBondContact O-N 2.86Å |
| 538 | M | 41.4 | Very low | 45.6 | Very low | 35 Ų | 35 | 104.7 Ų | 104.7 | 17% | 0.172 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -56.1 | -33.2 | 174.7 | -86.2 | -178.9 | 80.7 | 0 | 0 | 114.2 | K75 L79 L534 I536 K542 | K75-M538 VanDerWaalsContact C-SD 3.53Å; K75-M538 HydrophobicContact CB-SD 3.5Å; K75-M538 WeakPolarHBondContact CB-SD 3.43Å; K75-M538 HydrophobicContact CG-SD 3.92Å; K75-M538 WeakPolarHBondContact O-CE 3.42Å; L79-M538 HydrophobicContact CB-CE 4.26Å; L79-M538 HydrophobicContact CD2-CG 4.4Å; L534-M538 WeakPolarHBondContact O-CG 3.14Å; L534-M538 PolarHBondContact O-N 3.11Å; I536-M538 PolarHBondContact O-N 3.1Å; M538-K542 PolarHBondContact O-N 3.21Å |
| 539 | Q | 44.3 | Very low | 45.3 | Very low | 144 Ų | 144 | 100.1 Ų | 100.1 | 67% | 0.673 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -77 | -33.8 | -174.8 | -62.4 | -169.1 | -96.3 | 0 | 0 | 111.7 | I536 S537 | I536-Q539 PolarHBondContact O-N 2.92Å; S537-Q539 PolarHBondContact O-N 2.68Å |
| 540 | E | 45.1 | Very low | 45.1 | Very low | 118 Ų | 118 | 100.6 Ų | 100.6 | 55% | 0.551 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -72.8 | -42 | 178 | -59.2 | -171.5 | 138.8 | 0 | 0 | 111.4 | S537 K542 F543 I544 | S537-E540 PolarHBondContact O-N 3.16Å; E540-K542 VanDerWaalsContact C-N 3.31Å; E540-K542 PolarHBondContact O-N 3.11Å; E540-F543 WeakPolarHBondContact O-CB 3.36Å; E540-F543 PolarHBondContact O-N 3.27Å; E540-I544 PolarHBondContact O-N 3.23Å |
| 541 | V | 42.7 | Very low | 44.9 | Very low | 31 Ų | 31 | 104.1 Ų | 104.1 | 19% | 0.188 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -60.4 | -38.9 | 177.4 | 177.4 | 0 | 0 | 0 | 0 | 111.9 | L79 S537 F543 I544 I545 | L79-V541 HydrophobicContact CD2-CB 4.15Å; L79-V541 HydrophobicContact CD2-CG1 3.92Å; S537-V541 WeakPolarHBondContact O-CG2 3.05Å; S537-V541 PolarHBondContact O-N 2.86Å; V541-F543 PolarHBondContact O-N 3.04Å; V541-I544 PolarHBondContact O-N 3Å; V541-I545 HydrophobicContact CG1-CD1 3.76Å; V541-I545 HydrophobicContact CG1-CG1 4.34Å; V541-I545 WeakPolarHBondContact O-CG1 3.42Å; V541-I545 PolarHBondContact O-N 2.96Å; V541-I545 VanDerWaalsContact O-N 3.08Å |
| 542 | K | 41.1 | Very low | 44.9 | Very low | 106 Ų | 106 | 103.1 Ų | 103.1 | 46% | 0.461 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.7 | -24.3 | 174.6 | -74.7 | -163.6 | 174.8 | -158.5 | 0 | 113.8 | L79 M538 E540 | L79-K542 HydrophobicContact CD1-CD 4.28Å; L79-K542 HydrophobicContact CD1-CG 3.61Å; M538-K542 PolarHBondContact O-N 3.21Å; E540-K542 VanDerWaalsContact C-N 3.31Å; E540-K542 PolarHBondContact O-N 3.11Å |
| 543 | F | 44.3 | Very low | 44.5 | Very low | 165 Ų | 165 | 101.6 Ų | 101.6 | 72% | 0.724 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -78 | -41.1 | 174.9 | -157.3 | -87.4 | 0 | 0 | 0 | 111.4 | E540 V541 R546 Y547 | E540-F543 WeakPolarHBondContact O-CB 3.36Å; E540-F543 PolarHBondContact O-N 3.27Å; V541-F543 PolarHBondContact O-N 3.04Å; F543-R546 PolarHBondContact O-N 3.45Å; F543-Y547 PolarHBondContact O-N 3.05Å |
| 544 | I | 44.8 | Very low | 43.9 | Very low | 75 Ų | 75 | 104.1 Ų | 104.1 | 39% | 0.385 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.1 | -45.8 | -179.4 | -64.6 | 170.5 | 0 | 0 | 0 | 111.5 | E540 V541 R546 Y547 Y548 | E540-I544 PolarHBondContact O-N 3.23Å; V541-I544 PolarHBondContact O-N 3Å; I544-R546 VanDerWaalsContact C-N 3.29Å; I544-R546 PolarHBondContact O-N 3.31Å; I544-Y547 WeakPolarHBondContact O-CB 3.4Å; I544-Y547 PolarHBondContact O-N 3.04Å; I544-Y547 VanDerWaalsContact O-N 3.15Å; I544-Y548 HydrophobicContact CG2-CD2 3.87Å; I544-Y548 HydrophobicContact CG2-CE2 3.9Å; I544-Y548 WeakPolarHBondContact O-CD2 3.23Å; I544-Y548 PolarHBondContact O-N 2.78Å |
| 545 | I | 42.4 | Very low | 43.7 | Very low | 44 Ų | 44 | 108.9 Ų | 108.9 | 23% | 0.226 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -56.6 | -46.3 | 177.9 | -66.9 | 161.2 | 0 | 0 | 0 | 110.5 | I83 V541 Y547 Y548 S549 | I83-I545 HydrophobicContact CD1-CD1 3.82Å; I83-I545 HydrophobicContact CG1-CD1 3.76Å; V541-I545 HydrophobicContact CG1-CD1 3.76Å; V541-I545 HydrophobicContact CG1-CG1 4.34Å; V541-I545 WeakPolarHBondContact O-CG1 3.42Å; V541-I545 PolarHBondContact O-N 2.96Å; V541-I545 VanDerWaalsContact O-N 3.08Å; I545-Y547 VanDerWaalsContact C-N 3.27Å; I545-Y547 PolarHBondContact O-N 2.79Å; I545-Y548 PolarHBondContact O-N 2.88Å; I545-Y548 VanDerWaalsContact O-N 3.16Å; I545-S549 PolarHBondContact O-N 2.84Å; I545-S549 PolarHBondContact O-OG 2.8Å |
| 546 | R | 45.7 | Very low | 43.2 | Very low | 194 Ų | 194 | 105.7 Ų | 105.7 | 73% | 0.732 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.4 | -30.7 | -179.1 | -160.8 | 173.1 | -167.1 | 158.9 | 5.8 | 113.2 | F543 I544 L550 | F543-R546 PolarHBondContact O-N 3.45Å; I544-R546 VanDerWaalsContact C-N 3.29Å; I544-R546 PolarHBondContact O-N 3.31Å; R546-L550 WeakPolarHBondContact O-CD1 3.37Å; R546-L550 WeakPolarHBondContact O-CG 3.22Å; R546-L550 PolarHBondContact O-N 3.25Å |
| 547 | Y | 50.4 | Low | 42.6 | Very low | 139 Ų | 139 | 108.3 Ų | 108.3 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.7 | -46.3 | 173.6 | -177 | -95.3 | 0 | 0 | 0 | 111.6 | F543 I544 I545 L550 Y551 | F543-Y547 PolarHBondContact O-N 3.05Å; I544-Y547 WeakPolarHBondContact O-CB 3.4Å; I544-Y547 PolarHBondContact O-N 3.04Å; I544-Y547 VanDerWaalsContact O-N 3.15Å; I545-Y547 VanDerWaalsContact C-N 3.27Å; I545-Y547 PolarHBondContact O-N 2.79Å; Y547-L550 PolarHBondContact O-N 3.12Å; Y547-Y551 PolarHBondContact O-N 3.47Å |
| 548 | Y | 42 | Very low | 42.1 | Very low | 148 Ų | 148 | 111.2 Ų | 111.2 | 58% | 0.58 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -73.9 | -35.9 | -177.5 | -78.5 | -73.6 | 0 | 0 | 0 | 114 | I544 I545 L550 Y551 A552 | I544-Y548 HydrophobicContact CG2-CD2 3.87Å; I544-Y548 HydrophobicContact CG2-CE2 3.9Å; I544-Y548 WeakPolarHBondContact O-CD2 3.23Å; I544-Y548 PolarHBondContact O-N 2.78Å; I545-Y548 PolarHBondContact O-N 2.88Å; I545-Y548 VanDerWaalsContact O-N 3.16Å; Y548-L550 VanDerWaalsContact C-N 3.32Å; Y548-L550 PolarHBondContact O-N 3.19Å; Y548-Y551 PolarHBondContact O-N 3.37Å; Y548-Y551 VanDerWaalsContact O-N 3.17Å; Y548-A552 PolarHBondContact O-N 3.02Å |
| 549 | S | 41.9 | Very low | 41.6 | Very low | 69 Ų | 69 | 115.5 Ų | 115.5 | 48% | 0.483 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.1 | -39.3 | 172.5 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | I545 V553 | I545-S549 PolarHBondContact O-N 2.84Å; I545-S549 PolarHBondContact O-OG 2.8Å; S549-V553 WeakPolarHBondContact O-CG2 3.46Å; S549-V553 PolarHBondContact O-N 3.07Å |
| 550 | L | 43.6 | Very low | 41 | Very low | 119 Ų | 119 | 114.3 Ų | 114.3 | 62% | 0.623 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.8 | -40.1 | 172.8 | -78.6 | 169.1 | 0 | 0 | 0 | 111.8 | R546 Y547 Y548 F554 | R546-L550 WeakPolarHBondContact O-CD1 3.37Å; R546-L550 WeakPolarHBondContact O-CG 3.22Å; R546-L550 PolarHBondContact O-N 3.25Å; Y547-L550 PolarHBondContact O-N 3.12Å; Y548-L550 VanDerWaalsContact C-N 3.32Å; Y548-L550 PolarHBondContact O-N 3.19Å; L550-F554 WeakPolarHBondContact O-CB 3.25Å; L550-F554 PolarHBondContact O-N 3.14Å; L550-F554 VanDerWaalsContact O-N 3.11Å |
| 551 | Y | 43.7 | Very low | 40.2 | Very low | 126 Ų | 126 | 114.8 Ų | 114.8 | 49% | 0.494 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.5 | -33.9 | -179.6 | -156.7 | -92.2 | 0 | 0 | 0 | 113.1 | Y547 Y548 F554 Q555 | Y547-Y551 PolarHBondContact O-N 3.47Å; Y548-Y551 PolarHBondContact O-N 3.37Å; Y548-Y551 VanDerWaalsContact O-N 3.17Å; Y551-F554 PolarHBondContact O-N 2.85Å; Y551-Q555 HydrophobicContact CE1-CG 4.49Å; Y551-Q555 PolarHBondContact O-N 3.5Å |
| 552 | A | 44.2 | Very low | 39.7 | Very low | 67 Ų | 67 | 118.7 Ų | 118.7 | 55% | 0.554 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.7 | -47.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y548 F554 Q555 | Y548-A552 PolarHBondContact O-N 3.02Å; A552-F554 VanDerWaalsContact C-N 3.27Å; A552-F554 PolarHBondContact O-N 3.05Å; A552-Q555 PolarHBondContact O-N 3.44Å |
| 553 | V | 42.3 | Very low | 39.3 | Very low | 90 Ų | 90 | 122.4 Ų | 122.4 | 55% | 0.545 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -58.7 | -40.9 | 175.3 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | S549 Q555 A556 | S549-V553 WeakPolarHBondContact O-CG2 3.46Å; S549-V553 PolarHBondContact O-N 3.07Å; V553-Q555 PolarHBondContact O-N 2.87Å; V553-Q555 VanDerWaalsContact O-N 3.16Å; V553-A556 PolarHBondContact O-N 3.34Å |
| 554 | F | 34.5 | Very low | 38.9 | Very low | 163 Ų | 163 | 119 Ų | 119 | 72% | 0.715 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -11.5 | -177.5 | -147.5 | -93.4 | 0 | 0 | 0 | 115.1 | L550 Y551 A552 | L550-F554 WeakPolarHBondContact O-CB 3.25Å; L550-F554 PolarHBondContact O-N 3.14Å; L550-F554 VanDerWaalsContact O-N 3.11Å; Y551-F554 PolarHBondContact O-N 2.85Å; A552-F554 VanDerWaalsContact C-N 3.27Å; A552-F554 PolarHBondContact O-N 3.05Å |
| 555 | Q | 40.1 | Very low | 38.1 | Very low | 142 Ų | 142 | 122.5 Ų | 122.5 | 66% | 0.664 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | -10.4 | 173.8 | -66.7 | -147.7 | -3.2 | 0 | 0 | 114.4 | Y551 A552 V553 | Y551-Q555 HydrophobicContact CE1-CG 4.49Å; Y551-Q555 PolarHBondContact O-N 3.5Å; A552-Q555 PolarHBondContact O-N 3.44Å; V553-Q555 PolarHBondContact O-N 2.87Å; V553-Q555 VanDerWaalsContact O-N 3.16Å |
| 556 | A | 39.8 | Very low | 37.4 | Very low | 88 Ų | 88 | 124.1 Ų | 124.1 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -85.8 | -10.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | V553 | V553-A556 PolarHBondContact O-N 3.34Š|
| 557 | E | 36.5 | Very low | 36.4 | Very low | 167 Ų | 167 | 122 Ų | 122 | 78% | 0.78 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -121.3 | 18.9 | -161 | -148.3 | 171.5 | -146.8 | 0 | 0 | 114.8 | ||
| 558 | V | 33.3 | Very low | 35.1 | Very low | 105 Ų | 105 | 120.9 Ų | 120.9 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | trans | -135.4 | 135 | -177.1 | -164.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 559 | V | 29.9 | Very low | 34.3 | Very low | 126 Ų | 126 | 121 Ų | 121 | 76% | 0.764 | 69% | 0.687 | S | S | * | * | S | Bend | trans | 77.4 | 115.8 | -179.4 | -172.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 560 | T | 31.8 | Very low | 33.6 | Very low | 119 Ų | 119 | 124.9 Ų | 124.9 | 73% | 0.73 | 70% | 0.703 | S | S | * | * | cis | -157.9 | 123.9 | -13.8 | 21 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 561 | V | 29.8 | Very low | 32.7 | Very low | 127 Ų | 127 | 126.4 Ų | 126.4 | 77% | 0.77 | 71% | 0.71 | S | S | * | * | 74.3 | 107.8 | 73.5 | 175.4 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 562 | S | 32.2 | Very low | 31.9 | Very low | 114 Ų | 114 | 127.6 Ų | 127.6 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | trans | 176.5 | 98.9 | 137.1 | -75.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 563 | Q | 32.5 | Very low | 31 | Very low | 184 Ų | 184 | 127.9 Ų | 127.9 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | 83.6 | 149.7 | 82.1 | -95.8 | -156.7 | -17 | 0 | 0 | 115.5 | |||||
| 564 | P | 35.7 | Very low | 30.3 | Very low | 92 Ų | 92 | 127.8 Ų | 127.8 | 60% | 0.597 | 76% | 0.757 | S | S | * | * | -140.5 | -162.9 | -107.4 | 42.7 | -22.8 | 0 | 0 | 0 | 116.8 | |||||
| 565 | D | 28.7 | Very low | 29.9 | Very low | 149 Ų | 149 | 123.8 Ų | 123.8 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | trans | 90.1 | 115 | 149.8 | -68.4 | -14.2 | 0 | 0 | 0 | 122.9 | ||||
| 566 | A | 26.8 | Very low | 29.3 | Very low | 79 Ų | 79 | 121.2 Ų | 121.2 | 65% | 0.653 | 77% | 0.774 | S | S | * | * | 93.5 | 108.4 | 119.7 | 0 | 0 | 0 | 0 | 0 | 124 | |||||
| 567 | I | 24.6 | Very low | 28.8 | Very low | 149 Ų | 149 | 121 Ų | 121 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | 79 | 144.9 | 122.1 | -65.2 | 169.9 | 0 | 0 | 0 | 120.2 | |||||
| 568 | T | 23.9 | Very low | 28.4 | Very low | 115 Ų | 115 | 117.2 Ų | 117.2 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | 64.1 | 119.9 | 173.5 | 38.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 569 | I | 25.1 | Very low | 28.3 | Very low | 151 Ų | 151 | 115.9 Ų | 115.9 | 77% | 0.774 | 79% | 0.793 | S | S | * | * | 56.4 | 100.5 | 65.2 | -53.7 | 168 | 0 | 0 | 0 | 111.4 | |||||
| 570 | D | 27.2 | Very low | 28.3 | Very low | 151 Ų | 151 | 119.1 Ų | 119.1 | 81% | 0.807 | 80% | 0.8 | S | S | * | * | -163.1 | 175.5 | 110 | -131 | -37.4 | 0 | 0 | 0 | 113.4 | |||||
| 571 | L | 25.1 | Very low | 28.3 | Very low | 150 Ų | 150 | 118.6 Ų | 118.6 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -92.5 | 157.4 | 177.1 | -77.2 | 151.8 | 0 | 0 | 0 | 112.8 | ||||
| 572 | V | 25.2 | Very low | 28.4 | Very low | 151 Ų | 151 | 119.9 Ų | 119.9 | 92% | 0.915 | 81% | 0.807 | S | S | * | * | trans | 69.7 | 146.7 | 160.3 | 171.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 573 | G | 26.8 | Very low | 28.2 | Very low | 74 Ų | 74 | 118.5 Ų | 118.5 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | trans | 115.6 | 87.5 | 156.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 574 | G | 26.5 | Very low | 27.9 | Very low | 87 Ų | 87 | 116.3 Ų | 116.3 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | -86.8 | -171.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 575 | G | 26.8 | Very low | 27.6 | Very low | 80 Ų | 80 | 117.6 Ų | 117.6 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | 152 | 42.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 576 | G | 27.8 | Very low | 27.5 | Very low | 87 Ų | 87 | 120 Ų | 120 | 90% | 0.897 | 82% | 0.816 | S | S | * | * | trans | 68.7 | 172.4 | 148.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 577 | G | 28.9 | Very low | 27.7 | Very low | 85 Ų | 85 | 120.8 Ų | 120.8 | 88% | 0.876 | 82% | 0.822 | S | S | * | * | trans | -177.8 | -13.1 | -178 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 578 | G | 27.6 | Very low | 27.9 | Very low | 86 Ų | 86 | 118.6 Ų | 118.6 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | trans | 83.7 | 153.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 579 | G | 31.8 | Very low | 28.4 | Very low | 77 Ų | 77 | 118.8 Ų | 118.8 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | -177.9 | -12 | -174.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 580 | E | 29.7 | Very low | 29.1 | Very low | 194 Ų | 194 | 113.2 Ų | 113.2 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | trans | 67.5 | 159.2 | 168.5 | -74.4 | -151.4 | 118.5 | 0 | 0 | 119.6 | ||||
| 581 | P | 31.7 | Very low | 30 | Very low | 109 Ų | 109 | 110.6 Ų | 110.6 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | trans | -131.3 | 161.5 | -139.9 | 42.8 | -28.7 | 0 | 0 | 0 | 117.8 | ||||
| 582 | V | 31.9 | Very low | 31.4 | Very low | 154 Ų | 154 | 105.6 Ų | 105.6 | 93% | 0.933 | 77% | 0.765 | S | S | * | * | trans | -135.9 | 143.9 | 152 | -175.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 583 | A | 27.1 | Very low | 33.1 | Very low | 84 Ų | 84 | 106.9 Ų | 106.9 | 69% | 0.694 | 75% | 0.753 | S | S | * | * | trans | -117.9 | 177 | -153.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 584 | V | 28.1 | Very low | 34.9 | Very low | 138 Ų | 138 | 103.8 Ų | 103.8 | 84% | 0.836 | 72% | 0.719 | S | S | * | * | trans | 82.8 | 137.7 | 162.2 | -168.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 585 | P | 28.5 | Very low | 36.4 | Very low | 120 Ų | 120 | 105.2 Ų | 105.2 | 78% | 0.779 | 71% | 0.711 | S | S | * | * | cis | -117.2 | 172.1 | -16.2 | 35.6 | -20.3 | 0 | 0 | 0 | 114.3 | ||||
| 586 | Q | 27.5 | Very low | 38.4 | Very low | 198 Ų | 198 | 104.9 Ų | 104.9 | 93% | 0.925 | 69% | 0.69 | S | S | * | * | trans | -87.8 | 160.3 | 163.3 | -62.6 | 163.6 | -66.9 | 0 | 0 | 110.5 | ||||
| 587 | A | 29.4 | Very low | 40.4 | Very low | 96 Ų | 96 | 105.9 Ų | 105.9 | 79% | 0.793 | 68% | 0.681 | S | S | * | * | trans | -133 | 105.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 588 | S | 29.6 | Very low | 42.3 | Very low | 103 Ų | 103 | 110.9 Ų | 110.9 | 72% | 0.72 | 67% | 0.673 | S | S | * | * | trans | -30.2 | 126 | 157.7 | 29.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 589 | T | 35 | Very low | 44 | Very low | 119 Ų | 119 | 107.5 Ų | 107.5 | 73% | 0.73 | 64% | 0.635 | S | S | * | * | 55.8 | 130 | 89.8 | 64.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 590 | G | 38.6 | Very low | 45.9 | Very low | 35 Ų | 35 | 109.8 Ų | 109.8 | 36% | 0.361 | 62% | 0.62 | S | S | . | * | trans | -144.3 | 39.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E610 | G590-E610 VanDerWaalsContact CA-CD 3.49Å; G590-E610 WeakPolarHBondContact CA-OE1 3.34Å; G590-E610 PolarHBondContact O-N 2.84Å | ||
| 591 | L | 46.1 | Very low | 47.9 | Very low | 96 Ų | 96 | 104.8 Ų | 104.8 | 50% | 0.503 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -134.1 | 113 | -176.5 | -81.1 | 167.8 | 0 | 0 | 0 | 109.7 | E607 L608 | L591-E607 HydrophobicContact CD2-CB 4.44Å; L591-L608 CarbonylContact C-O 3.47Å; L591-L608 WeakPolarHBondContact CA-O 3.41Å |
| 592 | S | 55 | Low | 49.5 | Very low | 45 Ų | 45 | 102.6 Ų | 102.6 | 32% | 0.315 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.9 | 137.2 | 177.2 | -72 | 0 | 0 | 0 | 0 | 111.3 | L608 E610 | S592-L608 PolarHBondContact N-O 3.31Å; S592-L608 PolarHBondContact O-N 3.21Å; S592-E610 WeakPolarHBondContact OG-CG 3.37Å |
| 593 | R | 60.5 | Low | 50.8 | Low | 177 Ų | 177 | 95.8 Ų | 95.8 | 67% | 0.668 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.1 | 143.3 | 163.5 | -76.9 | -175.2 | 172.2 | -176.6 | -4.4 | 110 | T595 E607 | R593-T595 PolarHBondContact O-N 3.49Å; R593-T595 VanDerWaalsContact O-N 3.12Å; R593-E607 IonicContact CZ-OE1 2.71Å; R593-E607 IonicContact NE-OE1 3.72Å; R593-E607 PolarHBondContact NE-OE1 3.32Å; R593-E607 VanDerWaalsContact NE-OE1 3.09Å; R593-E607 IonicContact NH2-OE1 3.94Å; R593-E607 PolarHBondContact NH2-OE1 3.16Å |
| 594 | V | 63.8 | Low | 52.7 | Low | 9 Ų | 9 | 93.4 Ų | 93.4 | 6% | 0.055 | 53% | 0.534 | C | S | . | . | trans | -60.9 | 113.9 | 173 | -175.6 | 0 | 0 | 0 | 0 | 109.3 | L599 R600 L603 L608 | V594-L599 HydrophobicContact CG1-CB 3.99Å; V594-R600 HydrophobicContact CG1-CB 3.92Å; V594-L603 HydrophobicContact CG1-CD1 4.38Å; V594-L603 HydrophobicContact CG2-CB 4.16Å; V594-L603 HydrophobicContact CG2-CD1 4.11Å; V594-L608 HydrophobicContact CG2-CD1 3.7Å; V594-L608 HydrophobicContact CG2-CG 4.32Å | ||
| 595 | T | 59.3 | Low | 54.3 | Low | 118 Ų | 118 | 92.9 Ų | 92.9 | 72% | 0.724 | 53% | 0.527 | S | S | * | . | trans | -94.8 | -25.5 | -175.3 | 42 | 0 | 0 | 0 | 0 | 113.3 | R593 | R593-T595 PolarHBondContact O-N 3.49Å; R593-T595 VanDerWaalsContact O-N 3.12Å | ||
| 596 | D | 69 | Low | 56 | Low | 73 Ų | 73 | 90.1 Ų | 90.1 | 39% | 0.39 | 51% | 0.508 | S | S | . | . | trans | -83.2 | 125.1 | -177.6 | -166.5 | -56.4 | 0 | 0 | 0 | 111.6 | R598 L599 R600 | D596-R598 PolarHBondContact O-N 3.17Å; D596-R598 VanDerWaalsContact OD1-CB 3.28Å; D596-R598 WeakPolarHBondContact OD1-CB 3.3Å; D596-R598 PolarHBondContact OD1-N 3.14Å; D596-L599 HydrophobicContact CB-CB 4.13Å; D596-L599 HydrophobicContact CB-CD1 3.81Å; D596-L599 HydrophobicContact CB-CG 3.9Å; D596-L599 PolarHBondContact O-N 2.84Å; D596-R600 WeakPolarHBondContact O-CB 3.44Å; D596-R600 PolarHBondContact O-N 3.42Å | ||
| 597 | P | 68.4 | Low | 57.5 | Low | 108 Ų | 108 | 85.1 Ų | 85.1 | 70% | 0.701 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -57.6 | -29.9 | 177.5 | -25.3 | 35 | 0 | 0 | 0 | 115.2 | ||
| 598 | R | 69.2 | Low | 59.2 | Low | 190 Ų | 190 | 80.7 Ų | 80.7 | 72% | 0.717 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -73.5 | -41 | 178.2 | 178.9 | 177.3 | 171.3 | 160.4 | -4.7 | 111.3 | D596 | D596-R598 PolarHBondContact O-N 3.17Å; D596-R598 VanDerWaalsContact OD1-CB 3.28Å; D596-R598 WeakPolarHBondContact OD1-CB 3.3Å; D596-R598 PolarHBondContact OD1-N 3.14Å |
| 599 | L | 63.5 | Low | 60.6 | Low | 15 Ų | 15 | 76 Ų | 76 | 8% | 0.079 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -78.7 | -33.7 | -176.6 | -54.3 | 176.4 | 0 | 0 | 0 | 110.9 | V594 D596 A601 I602 L603 Q614 A618 | V594-L599 HydrophobicContact CG1-CB 3.99Å; D596-L599 HydrophobicContact CB-CB 4.13Å; D596-L599 HydrophobicContact CB-CD1 3.81Å; D596-L599 HydrophobicContact CB-CG 3.9Å; D596-L599 PolarHBondContact O-N 2.84Å; L599-A601 PolarHBondContact O-N 3.11Å; L599-I602 PolarHBondContact O-N 3.43Å; L599-L603 HydrophobicContact CB-CD1 4.18Å; L599-L603 WeakPolarHBondContact O-CB 3.48Å; L599-L603 PolarHBondContact O-N 2.79Å; L599-Q614 HydrophobicContact CD1-CB 3.51Å; L599-A618 HydrophobicContact CD2-CB 3.74Å |
| 600 | R | 72 | Confident | 61.6 | Low | 125 Ų | 125 | 75.5 Ų | 75.5 | 47% | 0.472 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.2 | -28.6 | 173.7 | -164.3 | 174.7 | -171.5 | 167.4 | 0.5 | 113.6 | V594 D596 I602 G604 D605 | V594-R600 HydrophobicContact CG1-CB 3.92Å; D596-R600 WeakPolarHBondContact O-CB 3.44Å; D596-R600 PolarHBondContact O-N 3.42Å; R600-I602 PolarHBondContact O-N 2.73Å; R600-G604 WeakPolarHBondContact O-CA 3.35Å; R600-G604 PolarHBondContact O-N 2.66Å; R600-G604 VanDerWaalsContact O-N 3.08Å; R600-D605 IonicContact CZ-OD1 3.27Å; R600-D605 IonicContact NE-OD1 3.68Å; R600-D605 PolarHBondContact NE-OD1 3.01Å; R600-D605 IonicContact NH2-OD1 2.97Å; R600-D605 PolarHBondContact NH2-OD1 2.98Å; R600-D605 IonicContact NH2-OD2 3.74Å |
| 601 | A | 71.3 | Confident | 62.6 | Low | 89 Ų | 89 | 77.5 Ų | 77.5 | 74% | 0.736 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -72.6 | -12 | 174 | 0 | 0 | 0 | 0 | 0 | 113.9 | L599 | L599-A601 PolarHBondContact O-N 3.11Å |
| 602 | I | 65.4 | Low | 63.5 | Low | 63 Ų | 63 | 74.2 Ų | 74.2 | 32% | 0.323 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -113.1 | -30.9 | -177.2 | -56.6 | 167.7 | 0 | 0 | 0 | 111 | L599 R600 A618 R625 | L599-I602 PolarHBondContact O-N 3.43Å; R600-I602 PolarHBondContact O-N 2.73Å; I602-A618 HydrophobicContact CB-CB 4.2Å; I602-A618 HydrophobicContact CD1-CB 3.93Å; I602-A618 HydrophobicContact CG2-CB 3.91Å; I602-R625 PolarHBondContact O-NH1 3.4Å |
| 603 | L | 60.1 | Low | 64.2 | Low | 11 Ų | 11 | 76.8 Ų | 76.8 | 6% | 0.058 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -102.4 | -14.5 | -175.8 | -66.3 | 164.7 | 0 | 0 | 0 | 114.6 | V594 L599 V606 L608 Q614 L617 R625 | V594-L603 HydrophobicContact CG1-CD1 4.38Å; V594-L603 HydrophobicContact CG2-CB 4.16Å; V594-L603 HydrophobicContact CG2-CD1 4.11Å; L599-L603 HydrophobicContact CB-CD1 4.18Å; L599-L603 WeakPolarHBondContact O-CB 3.48Å; L599-L603 PolarHBondContact O-N 2.79Å; L603-V606 WeakPolarHBondContact O-CG2 3.39Å; L603-L608 HydrophobicContact CD1-CD1 4.42Å; L603-Q614 HydrophobicContact CD1-CB 4.41Å; L603-Q614 WeakPolarHBondContact CD1-O 3.47Å; L603-L617 HydrophobicContact CD1-CB 4.41Å; L603-L617 HydrophobicContact CD2-CB 3.42Å; L603-L617 VanDerWaalsContact CD2-CB 3.42Å; L603-L617 HydrophobicContact CD2-CD1 4.04Å; L603-L617 HydrophobicContact CD2-CG 4.4Å; L603-R625 HydrophobicContact CD2-CG 4.26Å |
| 604 | G | 66.9 | Low | 64.7 | Low | 33 Ų | 33 | 70.2 Ų | 70.2 | 34% | 0.34 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | -163.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R600 V606 | R600-G604 WeakPolarHBondContact O-CA 3.35Å; R600-G604 PolarHBondContact O-N 2.66Å; R600-G604 VanDerWaalsContact O-N 3.08Å; G604-V606 PolarHBondContact O-N 2.9Å |
| 605 | D | 61.8 | Low | 65 | Low | 128 Ų | 128 | 72.9 Ų | 72.9 | 68% | 0.684 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 38 | 178 | -77.9 | -35.4 | 0 | 0 | 0 | 112.5 | R600 | R600-D605 IonicContact CZ-OD1 3.27Å; R600-D605 IonicContact NE-OD1 3.68Å; R600-D605 PolarHBondContact NE-OD1 3.01Å; R600-D605 IonicContact NH2-OD1 2.97Å; R600-D605 PolarHBondContact NH2-OD1 2.98Å; R600-D605 IonicContact NH2-OD2 3.74Å |
| 606 | V | 63 | Low | 65.4 | Low | 61 Ų | 61 | 72.4 Ų | 72.4 | 37% | 0.37 | 40% | 0.396 | S | S | . | . | trans | -77.8 | 137.9 | 177.7 | -177.8 | 0 | 0 | 0 | 0 | 110.4 | L603 G604 L608 I629 | L603-V606 WeakPolarHBondContact O-CG2 3.39Å; G604-V606 PolarHBondContact O-N 2.9Å; V606-L608 HydrophobicContact CG1-CD2 4.28Å; V606-I629 HydrophobicContact CG1-CG2 4.24Å | ||
| 607 | E | 60 | Low | 65.3 | Low | 93 Ų | 93 | 68.9 Ų | 68.9 | 44% | 0.435 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 110.5 | 175 | -57 | -163.2 | 145.4 | 0 | 0 | 109.3 | L591 R593 | L591-E607 HydrophobicContact CD2-CB 4.44Å; R593-E607 IonicContact CZ-OE1 2.71Å; R593-E607 IonicContact NE-OE1 3.72Å; R593-E607 PolarHBondContact NE-OE1 3.32Å; R593-E607 VanDerWaalsContact NE-OE1 3.09Å; R593-E607 IonicContact NH2-OE1 3.94Å; R593-E607 PolarHBondContact NH2-OE1 3.16Å |
| 608 | L | 64.8 | Low | 65.4 | Low | 4 Ų | 4 | 64.6 Ų | 64.6 | 2% | 0.021 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 136.1 | -172.1 | -64.7 | 176 | 0 | 0 | 0 | 111.1 | L591 S592 V594 L603 V606 Q614 L617 I629 | L591-L608 CarbonylContact C-O 3.47Å; L591-L608 WeakPolarHBondContact CA-O 3.41Å; S592-L608 PolarHBondContact N-O 3.31Å; S592-L608 PolarHBondContact O-N 3.21Å; V594-L608 HydrophobicContact CG2-CD1 3.7Å; V594-L608 HydrophobicContact CG2-CG 4.32Å; L603-L608 HydrophobicContact CD1-CD1 4.42Å; V606-L608 HydrophobicContact CG1-CD2 4.28Å; L608-Q614 HydrophobicContact CD1-CG 4.33Å; L608-L617 HydrophobicContact CD1-CD1 3.92Å; L608-L617 HydrophobicContact CD2-CD1 3.74Å; L608-L617 HydrophobicContact CG-CD1 4.49Å; L608-I629 HydrophobicContact CD2-CD1 4.15Å; L608-I629 HydrophobicContact CD2-CG1 4.28Å |
| 609 | P | 59.6 | Low | 65.7 | Low | 4 Ų | 4 | 62.5 Ų | 62.5 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -49.4 | 140.7 | 165.7 | -32.6 | 38.3 | 0 | 0 | 0 | 114 | G611 I612 Q632 L633 L636 | P609-G611 PolarHBondContact O-N 3.19Å; P609-I612 HydrophobicContact CB-CD1 4.06Å; P609-I612 HydrophobicContact CB-CG1 4.28Å; P609-I612 HydrophobicContact CG-CD1 4.11Å; P609-Q632 HydrophobicContact CB-CG 3.9Å; P609-Q632 HydrophobicContact CG-CB 4.14Å; P609-Q632 HydrophobicContact CG-CG 3.94Å; P609-L633 HydrophobicContact CG-CD2 4.28Å; P609-L636 HydrophobicContact CB-CD1 3.89Å; P609-L636 HydrophobicContact CG-CD1 3.84Å |
| 610 | E | 54.7 | Low | 66.2 | Low | 109 Ų | 109 | 63.3 Ų | 63.3 | 51% | 0.509 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | 127.5 | 169.9 | -86 | 174.9 | -144.7 | 0 | 0 | 110.7 | G590 S592 | G590-E610 VanDerWaalsContact CA-CD 3.49Å; G590-E610 WeakPolarHBondContact CA-OE1 3.34Å; G590-E610 PolarHBondContact O-N 2.84Å; S592-E610 WeakPolarHBondContact OG-CG 3.37Å |
| 611 | G | 60.3 | Low | 66.2 | Low | 77 Ų | 77 | 60.7 Ų | 60.7 | 79% | 0.794 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 114.2 | -13.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | P609 | P609-G611 PolarHBondContact O-N 3.19Š|
| 612 | I | 64.5 | Low | 65.9 | Low | 27 Ų | 27 | 63.4 Ų | 63.4 | 14% | 0.138 | 35% | 0.35 | C | S | . | . | trans | -86.4 | 131.4 | 174.1 | -37.7 | 174.1 | 0 | 0 | 0 | 110.6 | P609 Q614 L617 Q632 | P609-I612 HydrophobicContact CB-CD1 4.06Å; P609-I612 HydrophobicContact CB-CG1 4.28Å; P609-I612 HydrophobicContact CG-CD1 4.11Å; I612-Q614 PolarHBondContact O-N 3.33Å; I612-L617 HydrophobicContact CB-CD1 4.41Å; I612-L617 HydrophobicContact CG2-CD1 3.68Å; I612-L617 HydrophobicContact CG2-CD2 3.95Å; I612-L617 HydrophobicContact CG2-CG 3.7Å; I612-Q632 HydrophobicContact CD1-CB 3.9Å; I612-Q632 HydrophobicContact CD1-CG 3.82Å; I612-Q632 HydrophobicContact CG1-CG 4.05Å | ||
| 613 | D | 70.7 | Confident | 65.9 | Low | 99 Ų | 99 | 65.4 Ų | 65.4 | 53% | 0.529 | 36% | 0.362 | S | S | . | . | trans | -73 | 123.4 | 173.8 | -173.9 | -4.8 | 0 | 0 | 0 | 111.2 | N615 F616 L617 | D613-N615 VanDerWaalsContact C-N 3.26Å; D613-N615 PolarHBondContact O-N 3.4Å; D613-N615 PolarHBondContact OD1-N 3.35Å; D613-F616 HydrophobicContact CB-CB 3.93Å; D613-F616 PolarHBondContact O-N 2.93Å; D613-L617 PolarHBondContact O-N 3.36Å | ||
| 614 | Q | 70.9 | Confident | 66.3 | Low | 38 Ų | 38 | 67.9 Ų | 67.9 | 18% | 0.178 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65 | -28.1 | 178 | -60.4 | 177.1 | 36.4 | 0 | 0 | 112.1 | L599 L603 L608 I612 | L599-Q614 HydrophobicContact CD1-CB 3.51Å; L603-Q614 HydrophobicContact CD1-CB 4.41Å; L603-Q614 WeakPolarHBondContact CD1-O 3.47Å; L608-Q614 HydrophobicContact CD1-CG 4.33Å; I612-Q614 PolarHBondContact O-N 3.33Å |
| 615 | N | 70.8 | Confident | 66.9 | Low | 66 Ų | 66 | 68.1 Ų | 68.1 | 35% | 0.353 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -79.5 | -39.2 | 179.1 | -163.2 | 85.5 | 0 | 0 | 0 | 111.4 | D613 A618 E619 | D613-N615 VanDerWaalsContact C-N 3.26Å; D613-N615 PolarHBondContact O-N 3.4Å; D613-N615 PolarHBondContact OD1-N 3.35Å; N615-A618 WeakPolarHBondContact O-CB 3.23Å; N615-A618 PolarHBondContact O-N 2.96Å; N615-A618 VanDerWaalsContact O-N 3.15Å; N615-E619 PolarHBondContact ND2-OE1 2.96Å; N615-E619 PolarHBondContact O-N 3.32Å |
| 616 | F | 65.8 | Low | 67.3 | Low | 107 Ų | 107 | 69.2 Ų | 69.2 | 47% | 0.469 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.6 | -49.3 | 175.7 | -178.7 | -107.1 | 0 | 0 | 0 | 112.5 | D613 A618 E619 L620 | D613-F616 HydrophobicContact CB-CB 3.93Å; D613-F616 PolarHBondContact O-N 2.93Å; F616-A618 PolarHBondContact O-N 3.31Å; F616-A618 VanDerWaalsContact O-N 3.16Å; F616-E619 PolarHBondContact O-N 3.22Å; F616-L620 HydrophobicContact CD1-CD1 4.22Å; F616-L620 HydrophobicContact CE1-CD1 3.87Å; F616-L620 HydrophobicContact CZ-CD1 4.34Å; F616-L620 PolarHBondContact O-N 2.92Å |
| 617 | L | 67.1 | Low | 67.8 | Low | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.4 | -24.8 | 176.5 | -66.5 | 177.1 | 0 | 0 | 0 | 113.5 | L603 L608 I612 D613 L620 R625 V628 I629 | L603-L617 HydrophobicContact CD1-CB 4.41Å; L603-L617 HydrophobicContact CD2-CB 3.42Å; L603-L617 VanDerWaalsContact CD2-CB 3.42Å; L603-L617 HydrophobicContact CD2-CD1 4.04Å; L603-L617 HydrophobicContact CD2-CG 4.4Å; L608-L617 HydrophobicContact CD1-CD1 3.92Å; L608-L617 HydrophobicContact CD2-CD1 3.74Å; L608-L617 HydrophobicContact CG-CD1 4.49Å; I612-L617 HydrophobicContact CB-CD1 4.41Å; I612-L617 HydrophobicContact CG2-CD1 3.68Å; I612-L617 HydrophobicContact CG2-CD2 3.95Å; I612-L617 HydrophobicContact CG2-CG 3.7Å; D613-L617 PolarHBondContact O-N 3.36Å; L617-L620 HydrophobicContact CD2-CD1 4.47Å; L617-R625 PolarHBondContact O-NE 3.46Å; L617-V628 HydrophobicContact CD2-CB 4.4Å; L617-V628 HydrophobicContact CD2-CG1 3.78Å; L617-I629 HydrophobicContact CD1-CG1 4.48Å |
| 618 | A | 70.7 | Confident | 68.4 | Low | 17 Ų | 17 | 67.6 Ų | 67.6 | 14% | 0.14 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -81.5 | -15.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L599 I602 N615 F616 | L599-A618 HydrophobicContact CD2-CB 3.74Å; I602-A618 HydrophobicContact CB-CB 4.2Å; I602-A618 HydrophobicContact CD1-CB 3.93Å; I602-A618 HydrophobicContact CG2-CB 3.91Å; N615-A618 WeakPolarHBondContact O-CB 3.23Å; N615-A618 PolarHBondContact O-N 2.96Å; N615-A618 VanDerWaalsContact O-N 3.15Å; F616-A618 PolarHBondContact O-N 3.31Å; F616-A618 VanDerWaalsContact O-N 3.16Å |
| 619 | E | 75.5 | Confident | 68.9 | Low | 146 Ų | 146 | 68.6 Ų | 68.6 | 68% | 0.682 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -96.1 | -14 | 177.5 | -70.7 | 172 | -177.9 | 0 | 0 | 112.5 | N615 F616 | N615-E619 PolarHBondContact ND2-OE1 2.96Å; N615-E619 PolarHBondContact O-N 3.32Å; F616-E619 PolarHBondContact O-N 3.22Å |
| 620 | L | 75.1 | Confident | 69.4 | Low | 33 Ų | 33 | 71.1 Ų | 71.1 | 17% | 0.173 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -78.1 | 144.6 | 174.8 | -69.2 | 174.3 | 0 | 0 | 0 | 113.4 | F616 L617 I624 R625 V628 | F616-L620 HydrophobicContact CD1-CD1 4.22Å; F616-L620 HydrophobicContact CE1-CD1 3.87Å; F616-L620 HydrophobicContact CZ-CD1 4.34Å; F616-L620 PolarHBondContact O-N 2.92Å; L617-L620 HydrophobicContact CD2-CD1 4.47Å; L620-I624 HydrophobicContact CD1-CG2 4.28Å; L620-I624 HydrophobicContact CD2-CG2 4.14Å; L620-R625 PolarHBondContact O-NH2 2.9Å; L620-V628 HydrophobicContact CD1-CG2 4.33Å |
| 621 | P | 71 | Confident | 70.2 | Confident | 70 Ų | 70 | 66.8 Ų | 66.8 | 46% | 0.455 | 36% | 0.362 | S | S | . | . | trans | -56.5 | 152.9 | 167.3 | -24.6 | 34.4 | 0 | 0 | 0 | 113.3 | N623 I624 R625 | P621-N623 VanDerWaalsContact C-N 3.32Å; P621-N623 PolarHBondContact O-N 3.38Å; P621-I624 HydrophobicContact CB-CG1 4.38Å; P621-I624 HydrophobicContact CG-CD1 4.15Å; P621-I624 HydrophobicContact CG-CG1 4.49Å; P621-I624 PolarHBondContact O-N 2.9Å; P621-R625 WeakPolarHBondContact O-CB 3.28Å; P621-R625 PolarHBondContact O-N 3.13Å | ||
| 622 | E | 65.5 | Low | 70.4 | Confident | 145 Ų | 145 | 64.2 Ų | 64.2 | 68% | 0.678 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -55.7 | -42.1 | -173.9 | -63.9 | -178.8 | 152.9 | 0 | 0 | 113.3 | I624 R625 E626 | E622-I624 PolarHBondContact O-N 3.22Å; E622-R625 PolarHBondContact O-N 3.29Å; E622-E626 PolarHBondContact O-N 3.45Å |
| 623 | N | 64.6 | Low | 70.6 | Confident | 105 Ų | 105 | 66.6 Ų | 66.6 | 56% | 0.561 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.4 | -39.9 | 178 | 64.9 | -73.2 | 0 | 0 | 0 | 112.8 | P621 E627 | P621-N623 VanDerWaalsContact C-N 3.32Å; P621-N623 PolarHBondContact O-N 3.38Å; N623-E627 WeakPolarHBondContact O-CB 3.29Å; N623-E627 PolarHBondContact O-N 2.99Å; N623-E627 VanDerWaalsContact O-N 3.15Å |
| 624 | I | 68.9 | Low | 70.3 | Confident | 63 Ų | 63 | 65.5 Ų | 65.5 | 32% | 0.323 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -75.7 | -30.7 | 179.2 | -48.4 | -174.1 | 0 | 0 | 0 | 110.2 | L620 P621 E622 V628 | L620-I624 HydrophobicContact CD1-CG2 4.28Å; L620-I624 HydrophobicContact CD2-CG2 4.14Å; P621-I624 HydrophobicContact CB-CG1 4.38Å; P621-I624 HydrophobicContact CG-CD1 4.15Å; P621-I624 HydrophobicContact CG-CG1 4.49Å; P621-I624 PolarHBondContact O-N 2.9Å; E622-I624 PolarHBondContact O-N 3.22Å; I624-V628 HydrophobicContact CG2-CG2 4.23Å; I624-V628 WeakPolarHBondContact O-CB 3.43Å; I624-V628 VanDerWaalsContact O-CG2 3.29Å; I624-V628 WeakPolarHBondContact O-CG2 3.46Å; I624-V628 PolarHBondContact O-N 2.84Å |
| 625 | R | 79.1 | Confident | 70 | Confident | 38 Ų | 38 | 64.3 Ų | 64.3 | 14% | 0.143 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.1 | -40.5 | 174.9 | -170.3 | -169.6 | -60.5 | 140.9 | 18.9 | 111.9 | I602 L603 L617 L620 P621 E622 I629 | I602-R625 PolarHBondContact O-NH1 3.4Å; L603-R625 HydrophobicContact CD2-CG 4.26Å; L617-R625 PolarHBondContact O-NE 3.46Å; L620-R625 PolarHBondContact O-NH2 2.9Å; P621-R625 WeakPolarHBondContact O-CB 3.28Å; P621-R625 PolarHBondContact O-N 3.13Å; E622-R625 PolarHBondContact O-N 3.29Å; R625-I629 HydrophobicContact CG-CD1 4.12Å; R625-I629 WeakPolarHBondContact O-CB 3.42Å; R625-I629 WeakPolarHBondContact O-CD1 3.33Å; R625-I629 WeakPolarHBondContact O-CG1 3.49Å; R625-I629 PolarHBondContact O-N 3.01Å |
| 626 | E | 70.7 | Confident | 69.6 | Low | 151 Ų | 151 | 64.4 Ų | 64.4 | 71% | 0.706 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -68.7 | -40.9 | 174.6 | -72.5 | -173.1 | 166.2 | 0 | 0 | 112 | E622 I629 A630 | E622-E626 PolarHBondContact O-N 3.45Å; E626-I629 PolarHBondContact O-N 2.85Å; E626-A630 WeakPolarHBondContact O-CB 3.49Å; E626-A630 PolarHBondContact O-N 3.18Å |
| 627 | E | 73.4 | Confident | 69.3 | Low | 103 Ų | 103 | 67.2 Ų | 67.2 | 48% | 0.481 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -55.6 | -63.9 | 173.7 | -163.4 | 163.7 | -155.8 | 0 | 0 | 110.2 | N623 I629 A630 D631 | N623-E627 WeakPolarHBondContact O-CB 3.29Å; N623-E627 PolarHBondContact O-N 2.99Å; N623-E627 VanDerWaalsContact O-N 3.15Å; E627-I629 PolarHBondContact O-N 3.49Å; E627-A630 PolarHBondContact O-N 3.28Å; E627-D631 VanDerWaalsContact C-CG 3.49Å; E627-D631 WeakPolarHBondContact O-CB 3.48Å; E627-D631 PolarHBondContact O-N 3.37Å |
| 628 | V | 72.7 | Confident | 69.1 | Low | 18 Ų | 18 | 68.3 Ų | 68.3 | 11% | 0.109 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.1 | -27 | -178.9 | 173.3 | 0 | 0 | 0 | 0 | 114 | L617 L620 I624 Q632 | L617-V628 HydrophobicContact CD2-CB 4.4Å; L617-V628 HydrophobicContact CD2-CG1 3.78Å; L620-V628 HydrophobicContact CD1-CG2 4.33Å; I624-V628 HydrophobicContact CG2-CG2 4.23Å; I624-V628 WeakPolarHBondContact O-CB 3.43Å; I624-V628 VanDerWaalsContact O-CG2 3.29Å; I624-V628 WeakPolarHBondContact O-CG2 3.46Å; I624-V628 PolarHBondContact O-N 2.84Å; V628-Q632 PolarHBondContact O-N 2.89Å |
| 629 | I | 75.3 | Confident | 68.7 | Low | 25 Ų | 25 | 72.5 Ų | 72.5 | 13% | 0.128 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -81.3 | -44 | 176 | -70.6 | 171.2 | 0 | 0 | 0 | 112 | V606 L608 L617 R625 E626 E627 D631 L633 | V606-I629 HydrophobicContact CG1-CG2 4.24Å; L608-I629 HydrophobicContact CD2-CD1 4.15Å; L608-I629 HydrophobicContact CD2-CG1 4.28Å; L617-I629 HydrophobicContact CD1-CG1 4.48Å; R625-I629 HydrophobicContact CG-CD1 4.12Å; R625-I629 WeakPolarHBondContact O-CB 3.42Å; R625-I629 WeakPolarHBondContact O-CD1 3.33Å; R625-I629 WeakPolarHBondContact O-CG1 3.49Å; R625-I629 PolarHBondContact O-N 3.01Å; E626-I629 PolarHBondContact O-N 2.85Å; E627-I629 PolarHBondContact O-N 3.49Å; I629-D631 PolarHBondContact O-N 3.4Å; I629-L633 HydrophobicContact CG2-CD1 4.37Å; I629-L633 WeakPolarHBondContact O-CD1 3.29Å; I629-L633 WeakPolarHBondContact O-CG 3.39Å; I629-L633 PolarHBondContact O-N 3.46Å |
| 630 | A | 71.2 | Confident | 67.6 | Low | 56 Ų | 56 | 71.5 Ų | 71.5 | 46% | 0.463 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.3 | -38.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | E626 E627 Q634 | E626-A630 WeakPolarHBondContact O-CB 3.49Å; E626-A630 PolarHBondContact O-N 3.18Å; E627-A630 PolarHBondContact O-N 3.28Å; A630-Q634 PolarHBondContact O-N 3.44Å |
| 631 | D | 69.9 | Low | 66.4 | Low | 19 Ų | 19 | 76.5 Ų | 76.5 | 10% | 0.102 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.2 | -62.3 | 179.8 | -64.7 | -19.7 | 0 | 0 | 0 | 111.7 | E627 I629 L633 Q634 I635 P678 P679 | E627-D631 VanDerWaalsContact C-CG 3.49Å; E627-D631 WeakPolarHBondContact O-CB 3.48Å; E627-D631 PolarHBondContact O-N 3.37Å; I629-D631 PolarHBondContact O-N 3.4Å; D631-L633 PolarHBondContact O-N 2.87Å; D631-Q634 PolarHBondContact O-N 2.66Å; D631-I635 WeakPolarHBondContact O-CG1 3.43Å; D631-I635 PolarHBondContact O-N 2.83Å; D631-P678 VanDerWaalsContact OD1-CA 3.22Å; D631-P678 WeakPolarHBondContact OD1-CA 3.43Å; D631-P678 VanDerWaalsContact OD1-CB 3.29Å; D631-P678 WeakPolarHBondContact OD1-CB 3.14Å; D631-P678 WeakPolarHBondContact OD2-CA 3.46Å; D631-P678 WeakPolarHBondContact OD2-CG 3.22Å; D631-P679 VanDerWaalsContact O-CD 3.28Å; D631-P679 WeakPolarHBondContact O-CD 3.32Å; D631-P679 VanDerWaalsContact O-CG 3.28Å; D631-P679 WeakPolarHBondContact O-CG 3.41Å |
| 632 | Q | 65.6 | Low | 65 | Low | 22 Ų | 22 | 79.6 Ų | 79.6 | 10% | 0.103 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.4 | -25.1 | -172.8 | -156.2 | 73.4 | 2.5 | 0 | 0 | 113.1 | P609 I612 V628 I635 V675 | P609-Q632 HydrophobicContact CB-CG 3.9Å; P609-Q632 HydrophobicContact CG-CB 4.14Å; P609-Q632 HydrophobicContact CG-CG 3.94Å; I612-Q632 HydrophobicContact CD1-CB 3.9Å; I612-Q632 HydrophobicContact CD1-CG 3.82Å; I612-Q632 HydrophobicContact CG1-CG 4.05Å; V628-Q632 PolarHBondContact O-N 2.89Å; Q632-I635 HydrophobicContact CB-CD1 4.42Å; Q632-I635 VanDerWaalsContact CD-CD1 3.41Å; Q632-I635 HydrophobicContact CG-CD1 4.18Å; Q632-V675 PolarHBondContact OE1-O 3.39Å |
| 633 | L | 68.6 | Low | 64 | Low | 77 Ų | 77 | 82.3 Ų | 82.3 | 40% | 0.403 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -72.8 | -37 | 175.4 | -72.1 | 170.4 | 0 | 0 | 0 | 114 | P609 I629 D631 L636 R637 | P609-L633 HydrophobicContact CG-CD2 4.28Å; I629-L633 HydrophobicContact CG2-CD1 4.37Å; I629-L633 WeakPolarHBondContact O-CD1 3.29Å; I629-L633 WeakPolarHBondContact O-CG 3.39Å; I629-L633 PolarHBondContact O-N 3.46Å; D631-L633 PolarHBondContact O-N 2.87Å; L633-L636 PolarHBondContact O-N 3.37Å; L633-R637 PolarHBondContact O-N 2.89Å |
| 634 | Q | 65.1 | Low | 62.8 | Low | 76 Ų | 76 | 84.7 Ų | 84.7 | 36% | 0.355 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -84.4 | -21.7 | -176.7 | 165.9 | 179 | -18.9 | 0 | 0 | 112.4 | A630 D631 R637 A638 P679 E680 | A630-Q634 PolarHBondContact O-N 3.44Å; D631-Q634 PolarHBondContact O-N 2.66Å; Q634-R637 PolarHBondContact O-N 2.61Å; Q634-A638 PolarHBondContact O-N 2.98Å; Q634-A638 VanDerWaalsContact O-N 3.09Å; Q634-P679 HydrophobicContact CB-CB 4.27Å; Q634-P679 HydrophobicContact CB-CG 3.43Å; Q634-P679 VanDerWaalsContact CB-CG 3.43Å; Q634-P679 HydrophobicContact CG-CB 3.99Å; Q634-P679 HydrophobicContact CG-CG 3.41Å; Q634-P679 VanDerWaalsContact CG-CG 3.41Å; Q634-E680 PolarHBondContact NE2-OE1 3.42Å |
| 635 | I | 64 | Low | 61.2 | Low | 13 Ų | 13 | 86.1 Ų | 86.1 | 7% | 0.067 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 164.6 | -38 | 155.9 | 0 | 0 | 0 | 110.1 | D631 Q632 R637 A638 Q639 P679 Q682 | D631-I635 WeakPolarHBondContact O-CG1 3.43Å; D631-I635 PolarHBondContact O-N 2.83Å; Q632-I635 HydrophobicContact CB-CD1 4.42Å; Q632-I635 VanDerWaalsContact CD-CD1 3.41Å; Q632-I635 HydrophobicContact CG-CD1 4.18Å; I635-R637 PolarHBondContact O-N 2.98Å; I635-A638 WeakPolarHBondContact O-CB 3.19Å; I635-A638 PolarHBondContact O-N 3.31Å; I635-Q639 HydrophobicContact CG2-CG 4.33Å; I635-Q639 WeakPolarHBondContact O-CG 3.5Å; I635-Q639 PolarHBondContact O-N 2.88Å; I635-P679 HydrophobicContact CB-CB 4.26Å; I635-P679 HydrophobicContact CG1-CB 3.7Å; I635-P679 HydrophobicContact CG1-CG 4.33Å; I635-Q682 VanDerWaalsContact CD1-CD 3.49Å; I635-Q682 VanDerWaalsContact CG1-OE1 3.3Å |
| 636 | L | 61.1 | Low | 59.1 | Low | 68 Ų | 68 | 87.5 Ų | 87.5 | 36% | 0.356 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.9 | -30.5 | -179.2 | -76.9 | 170.3 | 0 | 0 | 0 | 111.7 | P609 L633 Q640 | P609-L636 HydrophobicContact CB-CD1 3.89Å; P609-L636 HydrophobicContact CG-CD1 3.84Å; L633-L636 PolarHBondContact O-N 3.37Å; L636-Q640 WeakPolarHBondContact O-CB 3.28Å; L636-Q640 VanDerWaalsContact O-CG 3.27Å; L636-Q640 WeakPolarHBondContact O-CG 3.39Å; L636-Q640 PolarHBondContact O-N 3.33Å; L636-Q640 VanDerWaalsContact O-N 3.09Å |
| 637 | R | 60.9 | Low | 57.3 | Low | 167 Ų | 167 | 88.1 Ų | 88.1 | 63% | 0.63 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -67.1 | -48.6 | 168.7 | -76.6 | -176.1 | 174.9 | 137.4 | 2 | 112.3 | L633 Q634 I635 Q639 Q640 Q641 | L633-R637 PolarHBondContact O-N 2.89Å; Q634-R637 PolarHBondContact O-N 2.61Å; I635-R637 PolarHBondContact O-N 2.98Å; R637-Q639 VanDerWaalsContact C-N 3.35Å; R637-Q639 PolarHBondContact O-N 2.91Å; R637-Q640 PolarHBondContact O-N 3.26Å; R637-Q641 WeakPolarHBondContact O-CG 3.35Å; R637-Q641 PolarHBondContact O-N 2.91Å |
| 638 | A | 61.5 | Low | 55.3 | Low | 23 Ų | 23 | 94.3 Ų | 94.3 | 19% | 0.19 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -58 | -46.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q634 I635 Q640 Q641 M642 | Q634-A638 PolarHBondContact O-N 2.98Å; Q634-A638 VanDerWaalsContact O-N 3.09Å; I635-A638 WeakPolarHBondContact O-CB 3.19Å; I635-A638 PolarHBondContact O-N 3.31Å; A638-Q640 PolarHBondContact O-N 2.73Å; A638-Q641 PolarHBondContact O-N 3.1Å; A638-M642 PolarHBondContact O-N 3.03Å |
| 639 | Q | 62.3 | Low | 53.2 | Low | 104 Ų | 104 | 103.6 Ų | 103.6 | 49% | 0.486 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.3 | -34.2 | 176.9 | -66.5 | -173.9 | 17.3 | 0 | 0 | 113.3 | I635 R637 R643 | I635-Q639 HydrophobicContact CG2-CG 4.33Å; I635-Q639 WeakPolarHBondContact O-CG 3.5Å; I635-Q639 PolarHBondContact O-N 2.88Å; R637-Q639 VanDerWaalsContact C-N 3.35Å; R637-Q639 PolarHBondContact O-N 2.91Å; Q639-R643 WeakPolarHBondContact O-CG 3.35Å; Q639-R643 PolarHBondContact O-N 3.48Å |
| 640 | Q | 53.4 | Low | 50.9 | Low | 125 Ų | 125 | 111.1 Ų | 111.1 | 58% | 0.584 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70.5 | -33.5 | 173.7 | -79.9 | -176.2 | 11.9 | 0 | 0 | 113.1 | L636 R637 A638 Q644 | L636-Q640 WeakPolarHBondContact O-CB 3.28Å; L636-Q640 VanDerWaalsContact O-CG 3.27Å; L636-Q640 WeakPolarHBondContact O-CG 3.39Å; L636-Q640 PolarHBondContact O-N 3.33Å; L636-Q640 VanDerWaalsContact O-N 3.09Å; R637-Q640 PolarHBondContact O-N 3.26Å; A638-Q640 PolarHBondContact O-N 2.73Å; Q640-Q644 WeakPolarHBondContact O-CG 3.34Å; Q640-Q644 PolarHBondContact O-NE2 3.02Å |
| 641 | Q | 50.5 | Low | 48.8 | Very low | 139 Ų | 139 | 112.4 Ų | 112.4 | 65% | 0.65 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -72.4 | -45.5 | 175.7 | -70.7 | -179.5 | 0.6 | 0 | 0 | 111.3 | R637 A638 R643 Q644 | R637-Q641 WeakPolarHBondContact O-CG 3.35Å; R637-Q641 PolarHBondContact O-N 2.91Å; A638-Q641 PolarHBondContact O-N 3.1Å; Q641-R643 PolarHBondContact O-N 3.29Å; Q641-Q644 PolarHBondContact O-N 3.32Å |
| 642 | M | 39.9 | Very low | 46.8 | Very low | 135 Ų | 135 | 115.1 Ų | 115.1 | 67% | 0.665 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -57.5 | -32.6 | 174.3 | -82.1 | -69.8 | -155.4 | 0 | 0 | 113.6 | A638 Q644 S645 | A638-M642 PolarHBondContact O-N 3.03Å; M642-Q644 VanDerWaalsContact C-N 3.33Å; M642-Q644 PolarHBondContact O-N 3.48Å; M642-S645 PolarHBondContact O-OG 3.42Å |
| 643 | R | 44.8 | Very low | 45 | Very low | 202 Ų | 202 | 119.2 Ų | 119.2 | 76% | 0.762 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -77.1 | -12.1 | 176.9 | -79.5 | -178.4 | 169 | 173.2 | -0.5 | 114.7 | Q639 Q641 | Q639-R643 WeakPolarHBondContact O-CG 3.35Å; Q639-R643 PolarHBondContact O-N 3.48Å; Q641-R643 PolarHBondContact O-N 3.29Å |
| 644 | Q | 39 | Very low | 43.1 | Very low | 154 Ų | 154 | 120.4 Ų | 120.4 | 72% | 0.72 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -96.8 | -20.2 | -179.6 | -71.1 | 176.4 | 51.5 | 0 | 0 | 113.7 | Q640 Q641 M642 | Q640-Q644 WeakPolarHBondContact O-CG 3.34Å; Q640-Q644 PolarHBondContact O-NE2 3.02Å; Q641-Q644 PolarHBondContact O-N 3.32Å; M642-Q644 VanDerWaalsContact C-N 3.33Å; M642-Q644 PolarHBondContact O-N 3.48Å |
| 645 | S | 36.1 | Very low | 41.5 | Very low | 93 Ų | 93 | 121 Ų | 121 | 65% | 0.65 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -81.9 | -26.9 | 176.2 | 50.8 | 0 | 0 | 0 | 0 | 113.7 | M642 Q647 | M642-S645 PolarHBondContact O-OG 3.42Å; S645-Q647 VanDerWaalsContact C-N 3.27Å; S645-Q647 PolarHBondContact O-N 3.06Å; S645-Q647 VanDerWaalsContact O-N 3.13Å |
| 646 | G | 35.7 | Very low | 40 | Very low | 68 Ų | 68 | 128.4 Ų | 128.4 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -76.5 | 13.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 647 | Q | 32.6 | Very low | 38.5 | Very low | 163 Ų | 163 | 128.5 Ų | 128.5 | 76% | 0.762 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -137.7 | 60.8 | -172.7 | -68.4 | -168.5 | -12.1 | 0 | 0 | 114.7 | S645 | S645-Q647 VanDerWaalsContact C-N 3.27Å; S645-Q647 PolarHBondContact O-N 3.06Å; S645-Q647 VanDerWaalsContact O-N 3.13Å |
| 648 | R | 30.8 | Very low | 36.9 | Very low | 234 Ų | 234 | 128.7 Ų | 128.7 | 88% | 0.883 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -168.4 | 126.3 | 154.8 | -105.8 | 144.2 | -168.7 | -159.6 | 3.5 | 114.2 | ||
| 649 | R | 29.4 | Very low | 35.4 | Very low | 212 Ų | 212 | 131.1 Ų | 131.1 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | trans | 66.4 | 88.6 | 158.2 | -68.2 | 175.6 | 173.8 | 170.3 | -2.1 | 116.4 | ||||
| 650 | E | 27.4 | Very low | 33.7 | Very low | 183 Ų | 183 | 131.6 Ų | 131.6 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | 77.5 | 86.5 | 63.5 | -59.1 | 158.2 | 154.2 | 0 | 0 | 113.3 | |||||
| 651 | G | 25.9 | Very low | 32.5 | Very low | 84 Ų | 84 | 131.4 Ų | 131.4 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | trans | -85.2 | 146.4 | 153.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 652 | G | 27.6 | Very low | 31.5 | Very low | 76 Ų | 76 | 131.7 Ų | 131.7 | 78% | 0.784 | 77% | 0.77 | S | S | * | * | trans | -102.2 | -155.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 653 | A | 29.2 | Very low | 30.9 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 88% | 0.884 | 78% | 0.776 | S | S | * | * | trans | 77.2 | 86 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 654 | A | 29.1 | Very low | 30.1 | Very low | 102 Ų | 102 | 126.8 Ų | 126.8 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | -42 | 154.3 | 161.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 655 | A | 30.6 | Very low | 29.8 | Very low | 88 Ų | 88 | 126.9 Ų | 126.9 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | 138.3 | 127.7 | 128.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 656 | D | 31.7 | Very low | 29.5 | Very low | 169 Ų | 169 | 128.8 Ų | 128.8 | 90% | 0.904 | 78% | 0.782 | S | S | * | * | trans | 53.9 | 125.5 | 152 | -56.1 | -11.6 | 0 | 0 | 0 | 122 | ||||
| 657 | G | 29.6 | Very low | 29.4 | Very low | 70 Ų | 70 | 129.8 Ų | 129.8 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | 175.7 | -16.3 | 144.6 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 658 | N | 29 | Very low | 29.8 | Very low | 171 Ų | 171 | 128.3 Ų | 128.3 | 91% | 0.914 | 78% | 0.776 | S | S | * | * | trans | 61.9 | 166.7 | -176.5 | -64.1 | -27.8 | 0 | 0 | 0 | 116.5 | ||||
| 659 | A | 28.8 | Very low | 30.8 | Very low | 75 Ų | 75 | 119.6 Ų | 119.6 | 62% | 0.62 | 75% | 0.746 | S | S | * | * | cis | -171.9 | 134.3 | -39.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 660 | S | 26.6 | Very low | 31.6 | Very low | 114 Ų | 114 | 112.6 Ų | 112.6 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | trans | 62.6 | 154 | 161.5 | 67.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 661 | N | 27.7 | Very low | 32.3 | Very low | 121 Ų | 121 | 113.1 Ų | 113.1 | 65% | 0.647 | 73% | 0.725 | S | S | * | * | cis | -156.4 | 165.8 | 12.1 | -143.7 | 11.9 | 0 | 0 | 0 | 114 | ||||
| 662 | E | 29.3 | Very low | 33.5 | Very low | 144 Ų | 144 | 116.7 Ų | 116.7 | 67% | 0.673 | 72% | 0.719 | S | S | * | * | trans | 58.1 | 101.8 | 145.2 | -80.2 | 154.6 | -167.7 | 0 | 0 | 124 | ||||
| 663 | N | 27.8 | Very low | 34.6 | Very low | 148 Ų | 148 | 118.3 Ų | 118.3 | 79% | 0.791 | 71% | 0.705 | S | S | * | * | 70.4 | 115.2 | 108.4 | -65.6 | -9.7 | 0 | 0 | 0 | 124.7 | |||||
| 664 | A | 28.9 | Very low | 35.8 | Very low | 87 Ų | 87 | 114.7 Ų | 114.7 | 72% | 0.719 | 67% | 0.67 | S | S | * | * | 98.6 | 160.6 | 117.1 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 665 | L | 31.5 | Very low | 37.2 | Very low | 156 Ų | 156 | 111.7 Ų | 111.7 | 82% | 0.817 | 64% | 0.641 | S | S | * | * | trans | 76.3 | 105.4 | -178.5 | -48.1 | 177.6 | 0 | 0 | 0 | 114.1 | ||||
| 666 | D | 31.3 | Very low | 38.8 | Very low | 133 Ų | 133 | 110.4 Ų | 110.4 | 71% | 0.711 | 63% | 0.631 | S | S | * | * | 73.9 | 141.4 | 52.5 | -64 | -46.9 | 0 | 0 | 0 | 114.4 | |||||
| 667 | S | 33.4 | Very low | 40.2 | Very low | 89 Ų | 89 | 103.8 Ų | 103.8 | 62% | 0.622 | 60% | 0.595 | S | S | * | * | cis | -167.7 | 129.2 | -17 | 48 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 668 | D | 40.9 | Very low | 41.8 | Very low | 132 Ų | 132 | 101.7 Ų | 101.7 | 71% | 0.706 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -146.1 | 33.2 | -164.9 | -104.2 | -33.3 | 0 | 0 | 0 | 116.8 | H689 | D668-H689 PolarHBondContact O-CE1 3.03Š|
| 669 | I | 50.9 | Low | 42.8 | Very low | 50 Ų | 50 | 93.8 Ų | 93.8 | 26% | 0.256 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -134.3 | 137.3 | 143 | -33.1 | 175.7 | 0 | 0 | 0 | 106.5 | Y671 F673 L674 H689 | I669-Y671 PolarHBondContact O-N 2.91Å; I669-F673 HydrophobicContact CG2-CB 4.42Å; I669-F673 HydrophobicContact CG2-CD1 3.78Å; I669-L674 HydrophobicContact CB-CD1 4.33Å; I669-L674 HydrophobicContact CB-CG 4.2Å; I669-L674 HydrophobicContact CD1-CD1 4.04Å; I669-L674 HydrophobicContact CD1-CD2 3.87Å; I669-L674 HydrophobicContact CD1-CG 4.03Å; I669-L674 HydrophobicContact CG2-CD2 4.37Å; I669-L674 HydrophobicContact CG2-CG 3.9Å; I669-H689 HydrophobicContact CD1-CB 3.42Å; I669-H689 VanDerWaalsContact CD1-CB 3.42Å; I669-H689 HydrophobicContact CG1-CB 4.15Å; I669-H689 VanDerWaalsContact CG1-CE1 3.48Å; I669-H689 WeakPolarHBondContact CG1-CE1 3.32Å; I669-H689 VanDerWaalsContact CG1-CG 3.48Å; I669-H689 WeakPolarHBondContact CG1-ND1 3.49Å |
| 670 | S | 47.2 | Very low | 43.7 | Very low | 65 Ų | 65 | 96.7 Ų | 96.7 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | trans | -66.8 | 134 | 168 | 62.7 | 0 | 0 | 0 | 0 | 109.3 | E672 F673 L674 | S670-E672 PolarHBondContact O-N 2.69Å; S670-E672 VanDerWaalsContact O-N 3.15Å; S670-F673 PolarHBondContact O-N 3.22Å; S670-F673 VanDerWaalsContact O-N 3.12Å; S670-F673 WeakPolarHBondContact OG-CB 3.28Å; S670-F673 PolarHBondContact OG-N 2.93Å; S670-F673 VanDerWaalsContact OG-N 3.11Å; S670-L674 PolarHBondContact O-N 2.88Å; S670-L674 VanDerWaalsContact O-N 3.09Å | ||
| 671 | Y | 40.7 | Very low | 45 | Very low | 195 Ų | 195 | 94.8 Ų | 94.8 | 77% | 0.765 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -29.7 | 170.6 | -176.2 | -94 | 0 | 0 | 0 | 111.3 | I669 V675 | I669-Y671 PolarHBondContact O-N 2.91Å; Y671-V675 HydrophobicContact CD1-CG2 4.27Å; Y671-V675 HydrophobicContact CE1-CG2 4.07Å; Y671-V675 WeakPolarHBondContact O-CB 3.3Å; Y671-V675 WeakPolarHBondContact O-CG2 3.2Å; Y671-V675 PolarHBondContact O-N 3.11Å; Y671-V675 VanDerWaalsContact O-N 3.15Å |
| 672 | E | 52.7 | Low | 46.8 | Very low | 158 Ų | 158 | 89.5 Ų | 89.5 | 74% | 0.738 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -44.4 | 176.2 | -166 | 166.8 | -164.3 | 0 | 0 | 113.3 | S670 V675 A676 | S670-E672 PolarHBondContact O-N 2.69Å; S670-E672 VanDerWaalsContact O-N 3.15Å; E672-V675 PolarHBondContact O-N 3.33Å; E672-A676 PolarHBondContact O-N 3.47Å |
| 673 | F | 50.5 | Low | 48.4 | Very low | 111 Ų | 111 | 86.4 Ų | 86.4 | 49% | 0.487 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -67.3 | -40.6 | 173.2 | -179.3 | -102.7 | 0 | 0 | 0 | 111.5 | I669 S670 V675 A676 L677 V685 | I669-F673 HydrophobicContact CG2-CB 4.42Å; I669-F673 HydrophobicContact CG2-CD1 3.78Å; S670-F673 PolarHBondContact O-N 3.22Å; S670-F673 VanDerWaalsContact O-N 3.12Å; S670-F673 WeakPolarHBondContact OG-CB 3.28Å; S670-F673 PolarHBondContact OG-N 2.93Å; S670-F673 VanDerWaalsContact OG-N 3.11Å; F673-V675 PolarHBondContact O-N 3.11Å; F673-V675 VanDerWaalsContact O-N 3.17Å; F673-A676 PolarHBondContact O-N 3.4Å; F673-L677 HydrophobicContact CD1-CD1 4.37Å; F673-L677 HydrophobicContact CE1-CD1 4.04Å; F673-L677 HydrophobicContact CZ-CD1 4.26Å; F673-V685 HydrophobicContact CD1-CG1 4.5Å; F673-V685 HydrophobicContact CE1-CG1 3.95Å |
| 674 | L | 52.7 | Low | 50 | Low | 30 Ų | 30 | 84.6 Ų | 84.6 | 16% | 0.157 | 45% | 0.454 | C | S | . | . | G | 310 helix | trans | -63.6 | -13.7 | 173.1 | -82.1 | -177.1 | 0 | 0 | 0 | 114.5 | I669 S670 Q682 V685 L686 | I669-L674 HydrophobicContact CB-CD1 4.33Å; I669-L674 HydrophobicContact CB-CG 4.2Å; I669-L674 HydrophobicContact CD1-CD1 4.04Å; I669-L674 HydrophobicContact CD1-CD2 3.87Å; I669-L674 HydrophobicContact CD1-CG 4.03Å; I669-L674 HydrophobicContact CG2-CD2 4.37Å; I669-L674 HydrophobicContact CG2-CG 3.9Å; S670-L674 PolarHBondContact O-N 2.88Å; S670-L674 VanDerWaalsContact O-N 3.09Å; L674-Q682 WeakPolarHBondContact O-CG 3.48Å; L674-Q682 PolarHBondContact O-NE2 3.21Å; L674-Q682 VanDerWaalsContact O-NE2 3.07Å; L674-Q682 PolarHBondContact O-OE1 2.75Å; L674-Q682 VanDerWaalsContact O-OE1 3.07Å; L674-V685 HydrophobicContact CD2-CG1 4.09Å; L674-L686 HydrophobicContact CD1-CD2 3.75Å; L674-L686 HydrophobicContact CD2-CD2 3.76Å; L674-L686 HydrophobicContact CD2-CG 3.77Å; L674-L686 HydrophobicContact CG-CD2 4.42Å |
| 675 | V | 58.8 | Low | 51.8 | Low | 39 Ų | 39 | 81.6 Ų | 81.6 | 24% | 0.236 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -104.7 | -6.3 | 179.8 | 163 | 0 | 0 | 0 | 0 | 112.1 | Q632 Y671 E672 F673 | Q632-V675 PolarHBondContact OE1-O 3.39Å; Y671-V675 HydrophobicContact CD1-CG2 4.27Å; Y671-V675 HydrophobicContact CE1-CG2 4.07Å; Y671-V675 WeakPolarHBondContact O-CB 3.3Å; Y671-V675 WeakPolarHBondContact O-CG2 3.2Å; Y671-V675 PolarHBondContact O-N 3.11Å; Y671-V675 VanDerWaalsContact O-N 3.15Å; E672-V675 PolarHBondContact O-N 3.33Å; F673-V675 PolarHBondContact O-N 3.11Å; F673-V675 VanDerWaalsContact O-N 3.17Å |
| 676 | A | 65.7 | Low | 53.3 | Low | 61 Ų | 61 | 76.5 Ų | 76.5 | 50% | 0.504 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -101.6 | 16.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | E672 F673 | E672-A676 PolarHBondContact O-N 3.47Å; F673-A676 PolarHBondContact O-N 3.4Å |
| 677 | L | 60.9 | Low | 54.9 | Low | 30 Ų | 30 | 72.1 Ų | 72.1 | 16% | 0.157 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -123.7 | 153.5 | -175 | -80 | 156.3 | 0 | 0 | 0 | 111.3 | F673 L681 Q682 V685 | F673-L677 HydrophobicContact CD1-CD1 4.37Å; F673-L677 HydrophobicContact CE1-CD1 4.04Å; F673-L677 HydrophobicContact CZ-CD1 4.26Å; L677-L681 HydrophobicContact CB-CB 4.49Å; L677-L681 HydrophobicContact CD2-CB 4.12Å; L677-L681 HydrophobicContact CD2-CD1 4.47Å; L677-Q682 HydrophobicContact CB-CG 3.62Å; L677-Q682 WeakPolarHBondContact O-CG 3.26Å; L677-Q682 PolarHBondContact O-NE2 3.25Å; L677-V685 HydrophobicContact CD1-CB 3.95Å; L677-V685 HydrophobicContact CD1-CG1 4Å; L677-V685 HydrophobicContact CD1-CG2 3.78Å |
| 678 | P | 62.2 | Low | 56.5 | Low | 26 Ų | 26 | 73.3 Ų | 73.3 | 17% | 0.169 | 38% | 0.378 | C | S | . | . | trans | -53.6 | 142.9 | 163.5 | -27.2 | 33.6 | 0 | 0 | 0 | 112.9 | D631 E680 L681 Q682 | D631-P678 VanDerWaalsContact OD1-CA 3.22Å; D631-P678 WeakPolarHBondContact OD1-CA 3.43Å; D631-P678 VanDerWaalsContact OD1-CB 3.29Å; D631-P678 WeakPolarHBondContact OD1-CB 3.14Å; D631-P678 WeakPolarHBondContact OD2-CA 3.46Å; D631-P678 WeakPolarHBondContact OD2-CG 3.22Å; P678-E680 PolarHBondContact O-N 3.49Å; P678-L681 HydrophobicContact CB-CB 4.15Å; P678-L681 HydrophobicContact CB-CD1 4.44Å; P678-L681 HydrophobicContact CB-CG 4.19Å; P678-L681 HydrophobicContact CG-CB 4.46Å; P678-L681 HydrophobicContact CG-CD1 4.02Å; P678-L681 HydrophobicContact CG-CG 4.33Å; P678-L681 CarbonylContact O-C 3.48Å; P678-L681 WeakPolarHBondContact O-CA 3.33Å; P678-L681 WeakPolarHBondContact O-CB 3.27Å; P678-L681 PolarHBondContact O-N 3.4Å; P678-Q682 WeakPolarHBondContact O-CG 3.27Å; P678-Q682 PolarHBondContact O-N 3.17Å | ||
| 679 | P | 51.1 | Low | 57.8 | Low | 5 Ų | 5 | 69.4 Ų | 69.4 | 3% | 0.032 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.2 | -31.4 | 177.7 | 19.6 | -29.7 | 0 | 0 | 0 | 112.5 | D631 Q634 I635 L681 Q682 D683 | D631-P679 VanDerWaalsContact O-CD 3.28Å; D631-P679 WeakPolarHBondContact O-CD 3.32Å; D631-P679 VanDerWaalsContact O-CG 3.28Å; D631-P679 WeakPolarHBondContact O-CG 3.41Å; Q634-P679 HydrophobicContact CB-CB 4.27Å; Q634-P679 HydrophobicContact CB-CG 3.43Å; Q634-P679 VanDerWaalsContact CB-CG 3.43Å; Q634-P679 HydrophobicContact CG-CB 3.99Å; Q634-P679 HydrophobicContact CG-CG 3.41Å; Q634-P679 VanDerWaalsContact CG-CG 3.41Å; I635-P679 HydrophobicContact CB-CB 4.26Å; I635-P679 HydrophobicContact CG1-CB 3.7Å; I635-P679 HydrophobicContact CG1-CG 4.33Å; P679-L681 PolarHBondContact O-N 3.3Å; P679-Q682 PolarHBondContact O-N 3.08Å; P679-Q682 VanDerWaalsContact O-N 3.17Å; P679-D683 PolarHBondContact O-N 3.37Å |
| 680 | E | 47.7 | Very low | 58.2 | Low | 136 Ų | 136 | 73.8 Ų | 73.8 | 64% | 0.636 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -58.8 | -39.7 | 169.3 | -53.2 | -171 | 158.7 | 0 | 0 | 109.5 | Q634 P678 E684 | Q634-E680 PolarHBondContact NE2-OE1 3.42Å; P678-E680 PolarHBondContact O-N 3.49Å; E680-E684 WeakPolarHBondContact O-CB 3.34Å; E680-E684 PolarHBondContact O-N 2.87Å |
| 681 | L | 53.4 | Low | 59 | Low | 74 Ų | 74 | 75.2 Ų | 75.2 | 39% | 0.387 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -88.6 | -8.2 | 172.3 | -60.7 | -176.8 | 0 | 0 | 0 | 115.5 | L677 P678 P679 E684 V685 | L677-L681 HydrophobicContact CB-CB 4.49Å; L677-L681 HydrophobicContact CD2-CB 4.12Å; L677-L681 HydrophobicContact CD2-CD1 4.47Å; P678-L681 HydrophobicContact CB-CB 4.15Å; P678-L681 HydrophobicContact CB-CD1 4.44Å; P678-L681 HydrophobicContact CB-CG 4.19Å; P678-L681 HydrophobicContact CG-CB 4.46Å; P678-L681 HydrophobicContact CG-CD1 4.02Å; P678-L681 HydrophobicContact CG-CG 4.33Å; P678-L681 CarbonylContact O-C 3.48Å; P678-L681 WeakPolarHBondContact O-CA 3.33Å; P678-L681 WeakPolarHBondContact O-CB 3.27Å; P678-L681 PolarHBondContact O-N 3.4Å; P679-L681 PolarHBondContact O-N 3.3Å; L681-E684 WeakPolarHBondContact CD2-OE2 3.49Å; L681-V685 WeakPolarHBondContact O-CB 3.35Å; L681-V685 WeakPolarHBondContact O-CG2 3.38Å; L681-V685 PolarHBondContact O-N 2.8Å |
| 682 | Q | 66 | Low | 60 | Low | 10 Ų | 10 | 68.7 Ų | 68.7 | 5% | 0.047 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -94 | -40.3 | 176 | -71.1 | -176.4 | 20.2 | 0 | 0 | 110.5 | I635 L674 L677 P678 P679 V685 L686 | I635-Q682 VanDerWaalsContact CD1-CD 3.49Å; I635-Q682 VanDerWaalsContact CG1-OE1 3.3Å; L674-Q682 WeakPolarHBondContact O-CG 3.48Å; L674-Q682 PolarHBondContact O-NE2 3.21Å; L674-Q682 VanDerWaalsContact O-NE2 3.07Å; L674-Q682 PolarHBondContact O-OE1 2.75Å; L674-Q682 VanDerWaalsContact O-OE1 3.07Å; L677-Q682 HydrophobicContact CB-CG 3.62Å; L677-Q682 WeakPolarHBondContact O-CG 3.26Å; L677-Q682 PolarHBondContact O-NE2 3.25Å; P678-Q682 WeakPolarHBondContact O-CG 3.27Å; P678-Q682 PolarHBondContact O-N 3.17Å; P679-Q682 PolarHBondContact O-N 3.08Å; P679-Q682 VanDerWaalsContact O-N 3.17Å; Q682-V685 PolarHBondContact O-N 3.35Å; Q682-L686 WeakPolarHBondContact O-CA 3.28Å; Q682-L686 WeakPolarHBondContact O-CB 3.39Å; Q682-L686 WeakPolarHBondContact O-CD1 3.26Å; Q682-L686 WeakPolarHBondContact O-CG 3.35Å; Q682-L686 PolarHBondContact O-N 3.09Å |
| 683 | D | 61.9 | Low | 60.5 | Low | 80 Ų | 80 | 66.8 Ų | 66.8 | 43% | 0.428 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.5 | -33.5 | 164.2 | -81.9 | -36.1 | 0 | 0 | 0 | 109 | P679 A687 | P679-D683 PolarHBondContact O-N 3.37Å; D683-A687 WeakPolarHBondContact O-CB 3.35Å; D683-A687 PolarHBondContact O-N 3.29Å |
| 684 | E | 61 | Low | 61 | Low | 110 Ų | 110 | 66.7 Ų | 66.7 | 51% | 0.514 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -69.1 | -48 | 169.7 | -163.7 | 164.5 | -166 | 0 | 0 | 113.1 | E680 L681 A687 Q688 | E680-E684 WeakPolarHBondContact O-CB 3.34Å; E680-E684 PolarHBondContact O-N 2.87Å; L681-E684 WeakPolarHBondContact CD2-OE2 3.49Å; E684-A687 CarbonylContact O-C 3.43Å; E684-A687 WeakPolarHBondContact O-CB 3.41Å; E684-A687 PolarHBondContact O-N 2.89Å; E684-A687 VanDerWaalsContact O-N 3.17Å; E684-Q688 WeakPolarHBondContact O-CB 3.31Å; E684-Q688 PolarHBondContact O-N 2.7Å |
| 685 | V | 67.2 | Low | 61.3 | Low | 24 Ų | 24 | 70.4 Ų | 70.4 | 15% | 0.145 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -71.9 | -30.2 | 178.9 | 164.1 | 0 | 0 | 0 | 0 | 112.8 | F673 L674 L677 L681 Q682 Q688 H689 | F673-V685 HydrophobicContact CD1-CG1 4.5Å; F673-V685 HydrophobicContact CE1-CG1 3.95Å; L674-V685 HydrophobicContact CD2-CG1 4.09Å; L677-V685 HydrophobicContact CD1-CB 3.95Å; L677-V685 HydrophobicContact CD1-CG1 4Å; L677-V685 HydrophobicContact CD1-CG2 3.78Å; L681-V685 WeakPolarHBondContact O-CB 3.35Å; L681-V685 WeakPolarHBondContact O-CG2 3.38Å; L681-V685 PolarHBondContact O-N 2.8Å; Q682-V685 PolarHBondContact O-N 3.35Å; V685-Q688 PolarHBondContact O-N 3.34Å; V685-H689 VanDerWaalsContact O-CB 3.3Å; V685-H689 WeakPolarHBondContact O-CB 3.4Å; V685-H689 PolarHBondContact O-N 3.08Å |
| 686 | L | 62.2 | Low | 61.3 | Low | 48 Ų | 48 | 70.5 Ų | 70.5 | 25% | 0.251 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -70.2 | -37.2 | 167.5 | -75 | 164.7 | 0 | 0 | 0 | 111 | L674 Q682 R690 | L674-L686 HydrophobicContact CD1-CD2 3.75Å; L674-L686 HydrophobicContact CD2-CD2 3.76Å; L674-L686 HydrophobicContact CD2-CG 3.77Å; L674-L686 HydrophobicContact CG-CD2 4.42Å; Q682-L686 WeakPolarHBondContact O-CA 3.28Å; Q682-L686 WeakPolarHBondContact O-CB 3.39Å; Q682-L686 WeakPolarHBondContact O-CD1 3.26Å; Q682-L686 WeakPolarHBondContact O-CG 3.35Å; Q682-L686 PolarHBondContact O-N 3.09Å; L686-R690 WeakPolarHBondContact O-CB 3.39Å; L686-R690 WeakPolarHBondContact O-CD 3.37Å; L686-R690 WeakPolarHBondContact O-CG 3.44Å; L686-R690 PolarHBondContact O-N 2.83Å |
| 687 | A | 65 | Low | 60.4 | Low | 41 Ų | 41 | 74.5 Ų | 74.5 | 34% | 0.339 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.9 | -41.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | D683 E684 R690 L691 | D683-A687 WeakPolarHBondContact O-CB 3.35Å; D683-A687 PolarHBondContact O-N 3.29Å; E684-A687 CarbonylContact O-C 3.43Å; E684-A687 WeakPolarHBondContact O-CB 3.41Å; E684-A687 PolarHBondContact O-N 2.89Å; E684-A687 VanDerWaalsContact O-N 3.17Å; A687-R690 CarbonylContact O-C 3.56Å; A687-R690 PolarHBondContact O-N 3.43Å; A687-L691 VanDerWaalsContact O-CB 3.28Å; A687-L691 WeakPolarHBondContact O-CB 3.49Å; A687-L691 WeakPolarHBondContact O-CD1 3.42Å; A687-L691 WeakPolarHBondContact O-CG 3.3Å; A687-L691 PolarHBondContact O-N 3.18Å |
| 688 | Q | 67.9 | Low | 59.9 | Low | 114 Ų | 114 | 79.4 Ų | 79.4 | 53% | 0.533 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -73.2 | -34.1 | -177.4 | -161 | 173.3 | 40.2 | 0 | 0 | 111.3 | E684 V685 S692 | E684-Q688 WeakPolarHBondContact O-CB 3.31Å; E684-Q688 PolarHBondContact O-N 2.7Å; V685-Q688 PolarHBondContact O-N 3.34Å; Q688-S692 VanDerWaalsContact O-CB 3.3Å; Q688-S692 WeakPolarHBondContact O-CB 3.35Å; Q688-S692 PolarHBondContact O-N 3.16Å; Q688-S692 PolarHBondContact O-OG 3.4Å |
| 689 | H | 68.2 | Low | 59.1 | Low | 50 Ų | 50 | 85.8 Ų | 85.8 | 23% | 0.231 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -79.2 | -29.2 | 168.3 | -172.2 | 93.7 | 0 | 0 | 0 | 112.9 | D668 I669 V685 R693 | D668-H689 PolarHBondContact O-CE1 3.03Å; I669-H689 HydrophobicContact CD1-CB 3.42Å; I669-H689 VanDerWaalsContact CD1-CB 3.42Å; I669-H689 HydrophobicContact CG1-CB 4.15Å; I669-H689 VanDerWaalsContact CG1-CE1 3.48Å; I669-H689 WeakPolarHBondContact CG1-CE1 3.32Å; I669-H689 VanDerWaalsContact CG1-CG 3.48Å; I669-H689 WeakPolarHBondContact CG1-ND1 3.49Å; V685-H689 VanDerWaalsContact O-CB 3.3Å; V685-H689 WeakPolarHBondContact O-CB 3.4Å; V685-H689 PolarHBondContact O-N 3.08Å; H689-R693 VanDerWaalsContact NE2-CD 3.31Å; H689-R693 WeakPolarHBondContact NE2-CD 3.21Å; H689-R693 PolarHBondContact NE2-NE 2.85Å; H689-R693 VanDerWaalsContact O-CB 3.3Å; H689-R693 WeakPolarHBondContact O-CB 3.43Å; H689-R693 PolarHBondContact O-N 2.95Å |
| 690 | R | 59.5 | Low | 58.8 | Low | 142 Ų | 142 | 96.1 Ų | 96.1 | 54% | 0.536 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 167.7 | -80.2 | 166.5 | -175.8 | 154.9 | 4.2 | 110.5 | L686 A687 R693 Q694 | L686-R690 WeakPolarHBondContact O-CB 3.39Å; L686-R690 WeakPolarHBondContact O-CD 3.37Å; L686-R690 WeakPolarHBondContact O-CG 3.44Å; L686-R690 PolarHBondContact O-N 2.83Å; A687-R690 CarbonylContact O-C 3.56Å; A687-R690 PolarHBondContact O-N 3.43Å; R690-R693 CarbonylContact O-C 3.47Å; R690-R693 PolarHBondContact O-N 3.27Å; R690-Q694 WeakPolarHBondContact O-CB 3.45Å; R690-Q694 VanDerWaalsContact O-CG 3.26Å; R690-Q694 WeakPolarHBondContact O-CG 3.47Å; R690-Q694 PolarHBondContact O-N 2.94Å; R690-Q694 PolarHBondContact O-OE1 3.1Å |
| 691 | L | 62.8 | Low | 58.2 | Low | 95 Ų | 95 | 95.3 Ų | 95.3 | 50% | 0.497 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.8 | -50 | 172.9 | -74.5 | 164.3 | 0 | 0 | 0 | 110.7 | A687 R693 Q694 Q695 | A687-L691 VanDerWaalsContact O-CB 3.28Å; A687-L691 WeakPolarHBondContact O-CB 3.49Å; A687-L691 WeakPolarHBondContact O-CD1 3.42Å; A687-L691 WeakPolarHBondContact O-CG 3.3Å; A687-L691 PolarHBondContact O-N 3.18Å; L691-R693 VanDerWaalsContact C-N 3.33Å; L691-R693 PolarHBondContact O-N 2.89Å; L691-Q694 PolarHBondContact O-N 3.18Å; L691-Q694 VanDerWaalsContact O-N 3.09Å; L691-Q695 WeakPolarHBondContact O-CB 3.46Å; L691-Q695 WeakPolarHBondContact O-CG 3.42Å; L691-Q695 PolarHBondContact O-N 2.91Å |
| 692 | S | 63.1 | Low | 57.5 | Low | 59 Ų | 59 | 95.8 Ų | 95.8 | 41% | 0.413 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.5 | -36 | 175.6 | -65.3 | 0 | 0 | 0 | 0 | 112.9 | Q688 A696 | Q688-S692 VanDerWaalsContact O-CB 3.3Å; Q688-S692 WeakPolarHBondContact O-CB 3.35Å; Q688-S692 PolarHBondContact O-N 3.16Å; Q688-S692 PolarHBondContact O-OG 3.4Å; S692-A696 WeakPolarHBondContact O-CB 3.41Å; S692-A696 PolarHBondContact O-N 2.86Å |
| 693 | R | 62.8 | Low | 56.1 | Low | 117 Ų | 117 | 100.3 Ų | 100.3 | 44% | 0.442 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -76.7 | -26.7 | 172.3 | -91.8 | -170 | 164.8 | -150.6 | -8.8 | 113.3 | H689 R690 L691 R697 | H689-R693 VanDerWaalsContact NE2-CD 3.31Å; H689-R693 WeakPolarHBondContact NE2-CD 3.21Å; H689-R693 PolarHBondContact NE2-NE 2.85Å; H689-R693 VanDerWaalsContact O-CB 3.3Å; H689-R693 WeakPolarHBondContact O-CB 3.43Å; H689-R693 PolarHBondContact O-N 2.95Å; R690-R693 CarbonylContact O-C 3.47Å; R690-R693 PolarHBondContact O-N 3.27Å; L691-R693 VanDerWaalsContact C-N 3.33Å; L691-R693 PolarHBondContact O-N 2.89Å; R693-R697 VanDerWaalsContact O-CB 3.25Å; R693-R697 WeakPolarHBondContact O-CB 3.46Å; R693-R697 WeakPolarHBondContact O-CG 3.29Å; R693-R697 PolarHBondContact O-N 3.41Å |
| 694 | Q | 61 | Low | 54.7 | Low | 109 Ų | 109 | 104.3 Ų | 104.3 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71.1 | -49 | 171.7 | -78.7 | 175.2 | -82 | 0 | 0 | 109.5 | R690 L691 R697 Q698 | R690-Q694 WeakPolarHBondContact O-CB 3.45Å; R690-Q694 VanDerWaalsContact O-CG 3.26Å; R690-Q694 WeakPolarHBondContact O-CG 3.47Å; R690-Q694 PolarHBondContact O-N 2.94Å; R690-Q694 PolarHBondContact O-OE1 3.1Å; L691-Q694 PolarHBondContact O-N 3.18Å; L691-Q694 VanDerWaalsContact O-N 3.09Å; Q694-R697 PolarHBondContact O-N 3.26Å; Q694-Q698 WeakPolarHBondContact O-CB 3.29Å; Q694-Q698 VanDerWaalsContact O-CG 3.24Å; Q694-Q698 WeakPolarHBondContact O-CG 3.47Å; Q694-Q698 PolarHBondContact O-N 3.41Å; Q694-Q698 PolarHBondContact O-OE1 3.48Å |
| 695 | Q | 59.5 | Low | 53.8 | Low | 109 Ų | 109 | 103.1 Ų | 103.1 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59 | -48.9 | 172.9 | -70.8 | 174.7 | -21.2 | 0 | 0 | 111.6 | L691 R697 Q698 Q699 | L691-Q695 WeakPolarHBondContact O-CB 3.46Å; L691-Q695 WeakPolarHBondContact O-CG 3.42Å; L691-Q695 PolarHBondContact O-N 2.91Å; Q695-R697 VanDerWaalsContact C-N 3.26Å; Q695-R697 PolarHBondContact O-N 3.37Å; Q695-Q698 CarbonylContact O-C 3.49Å; Q695-Q698 PolarHBondContact O-N 3.32Å; Q695-Q699 WeakPolarHBondContact O-CB 3.32Å; Q695-Q699 VanDerWaalsContact O-CG 3.28Å; Q695-Q699 WeakPolarHBondContact O-CG 3.27Å; Q695-Q699 PolarHBondContact O-N 2.85Å |
| 696 | A | 57.6 | Low | 52.6 | Low | 41 Ų | 41 | 108.2 Ų | 108.2 | 34% | 0.339 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -70.6 | -16.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S692 R700 | S692-A696 WeakPolarHBondContact O-CB 3.41Å; S692-A696 PolarHBondContact O-N 2.86Å; A696-R700 VanDerWaalsContact O-CB 3.3Å; A696-R700 WeakPolarHBondContact O-CB 3Å; A696-R700 VanDerWaalsContact O-CG 3.28Å; A696-R700 WeakPolarHBondContact O-CG 3.14Å |
| 697 | R | 48.3 | Very low | 51.9 | Low | 145 Ų | 145 | 112.8 Ų | 112.8 | 55% | 0.547 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -84.4 | -44.3 | 166.5 | -74.2 | 177.3 | 94 | 151.9 | 13.5 | 111 | R693 Q694 Q695 Q699 R700 E701 | R693-R697 VanDerWaalsContact O-CB 3.25Å; R693-R697 WeakPolarHBondContact O-CB 3.46Å; R693-R697 WeakPolarHBondContact O-CG 3.29Å; R693-R697 PolarHBondContact O-N 3.41Å; Q694-R697 PolarHBondContact O-N 3.26Å; Q695-R697 VanDerWaalsContact C-N 3.26Å; Q695-R697 PolarHBondContact O-N 3.37Å; R697-Q699 PolarHBondContact O-N 3.3Å; R697-Q699 VanDerWaalsContact O-N 3.1Å; R697-R700 PolarHBondContact O-N 3.38Å; R697-E701 HydrophobicContact CB-CG 4.46Å; R697-E701 IonicContact CZ-OE1 3.62Å; R697-E701 IonicContact NE-OE1 3.15Å; R697-E701 PolarHBondContact NE-OE1 2.65Å; R697-E701 IonicContact NE-OE2 2.78Å; R697-E701 IonicContact NH2-OE1 3.31Å; R697-E701 PolarHBondContact NH2-OE1 3.24Å; R697-E701 WeakPolarHBondContact O-CB 3.23Å; R697-E701 PolarHBondContact O-N 3.3Å |
| 698 | Q | 48.8 | Very low | 51.7 | Low | 133 Ų | 133 | 115.6 Ų | 115.6 | 62% | 0.621 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -60.2 | -18.1 | 171.8 | -71.2 | 165.8 | -33.6 | 0 | 0 | 113 | Q694 Q695 | Q694-Q698 WeakPolarHBondContact O-CB 3.29Å; Q694-Q698 VanDerWaalsContact O-CG 3.24Å; Q694-Q698 WeakPolarHBondContact O-CG 3.47Å; Q694-Q698 PolarHBondContact O-N 3.41Å; Q694-Q698 PolarHBondContact O-OE1 3.48Å; Q695-Q698 CarbonylContact O-C 3.49Å; Q695-Q698 PolarHBondContact O-N 3.32Å |
| 699 | Q | 45.3 | Very low | 51.3 | Low | 160 Ų | 160 | 113.6 Ų | 113.6 | 75% | 0.748 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | 3.6 | 173.6 | -68.6 | 173.9 | -12.3 | 0 | 0 | 114.4 | Q695 R697 | Q695-Q699 WeakPolarHBondContact O-CB 3.32Å; Q695-Q699 VanDerWaalsContact O-CG 3.28Å; Q695-Q699 WeakPolarHBondContact O-CG 3.27Å; Q695-Q699 PolarHBondContact O-N 2.85Å; R697-Q699 PolarHBondContact O-N 3.3Å; R697-Q699 VanDerWaalsContact O-N 3.1Å |
| 700 | R | 44.9 | Very low | 51.2 | Low | 221 Ų | 221 | 112.1 Ų | 112.1 | 83% | 0.834 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134 | -25.8 | 179.5 | -72.6 | -176.8 | 170.8 | -176.9 | -0.9 | 115 | A696 R697 A702 | A696-R700 VanDerWaalsContact O-CB 3.3Å; A696-R700 WeakPolarHBondContact O-CB 3Å; A696-R700 VanDerWaalsContact O-CG 3.28Å; A696-R700 WeakPolarHBondContact O-CG 3.14Å; R697-R700 PolarHBondContact O-N 3.38Å; R700-A702 PolarHBondContact O-N 3.5Å |
| 701 | E | 36.8 | Very low | 51.7 | Low | 119 Ų | 119 | 107.7 Ų | 107.7 | 56% | 0.556 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -88.5 | 81 | 178.3 | -68.7 | -179 | 177.7 | 0 | 0 | 109.9 | R697 | R697-E701 HydrophobicContact CB-CG 4.46Å; R697-E701 IonicContact CZ-OE1 3.62Å; R697-E701 IonicContact NE-OE1 3.15Å; R697-E701 PolarHBondContact NE-OE1 2.65Å; R697-E701 IonicContact NE-OE2 2.78Å; R697-E701 IonicContact NH2-OE1 3.31Å; R697-E701 PolarHBondContact NH2-OE1 3.24Å; R697-E701 WeakPolarHBondContact O-CB 3.23Å; R697-E701 PolarHBondContact O-N 3.3Å |
| 702 | A | 38.2 | Very low | 52.2 | Low | 84 Ų | 84 | 108.2 Ų | 108.2 | 69% | 0.694 | 57% | 0.572 | S | S | * | * | trans | 67.4 | 127.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | R700 | R700-A702 PolarHBondContact O-N 3.5Š| ||
| 703 | P | 35.9 | Very low | 52.9 | Low | 106 Ų | 106 | 106.2 Ų | 106.2 | 69% | 0.688 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -76 | -179.5 | 167.5 | 36.1 | -36.5 | 0 | 0 | 0 | 111.6 | ||
| 704 | D | 32.8 | Very low | 53.5 | Low | 164 Ų | 164 | 105.2 Ų | 105.2 | 88% | 0.877 | 56% | 0.56 | S | S | * | * | S | Bend | trans | 72.5 | 34.1 | 166.5 | -44.2 | -29 | 0 | 0 | 0 | 116.8 | ||
| 705 | A | 41.6 | Very low | 54.4 | Low | 84 Ų | 84 | 105.3 Ų | 105.3 | 69% | 0.694 | 57% | 0.568 | S | S | * | * | trans | -138.7 | 134.6 | 168 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 706 | P | 43.4 | Very low | 55.4 | Low | 131 Ų | 131 | 101.4 Ų | 101.4 | 85% | 0.851 | 55% | 0.55 | S | S | * | . | trans | -71.5 | 143.1 | -178.5 | 28.9 | -34.7 | 0 | 0 | 0 | 112.4 | D708 | P706-D708 PolarHBondContact O-N 3.25Š| ||
| 707 | L | 47 | Very low | 56.4 | Low | 144 Ų | 144 | 103.7 Ų | 103.7 | 75% | 0.754 | 56% | 0.561 | S | S | * | * | trans | -69.9 | 119.3 | 175.7 | -86.4 | 154.5 | 0 | 0 | 0 | 110.6 | L709 | L707-L709 PolarHBondContact O-N 3.37Š| ||
| 708 | D | 61.3 | Low | 57.6 | Low | 100 Ų | 100 | 104.1 Ų | 104.1 | 54% | 0.535 | 56% | 0.563 | S | S | . | * | trans | -70.8 | 93.1 | 175.2 | -177.7 | 10 | 0 | 0 | 0 | 111.2 | P706 A710 A711 F712 | P706-D708 PolarHBondContact O-N 3.25Å; D708-A710 PolarHBondContact O-N 3Å; D708-A710 WeakPolarHBondContact OD1-CA 3.28Å; D708-A710 WeakPolarHBondContact OD1-CB 3.49Å; D708-A710 PolarHBondContact OD1-N 3.14Å; D708-A711 HydrophobicContact CB-CB 4.11Å; D708-A711 PolarHBondContact O-N 3.48Å; D708-A711 PolarHBondContact OD1-N 2.87Å; D708-A711 VanDerWaalsContact OD2-CB 3.27Å; D708-A711 WeakPolarHBondContact OD2-CB 3.46Å; D708-A711 PolarHBondContact OD2-N 3.2Å; D708-F712 PolarHBondContact O-N 3.49Å | ||
| 709 | L | 58 | Low | 58.9 | Low | 73 Ų | 73 | 101.4 Ų | 101.4 | 38% | 0.382 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -58 | -28.2 | 173.4 | -69.8 | 171.7 | 0 | 0 | 0 | 112.1 | L707 F712 F713 L735 P737 | L707-L709 PolarHBondContact O-N 3.37Å; L709-F712 PolarHBondContact O-N 3.47Å; L709-F713 WeakPolarHBondContact O-CD2 3.39Å; L709-F713 PolarHBondContact O-N 2.99Å; L709-F713 VanDerWaalsContact O-N 3.13Å; L709-L735 VanDerWaalsContact CD1-O 3.29Å; L709-L735 WeakPolarHBondContact CD1-O 3.49Å; L709-P737 HydrophobicContact CB-CG 4.33Å |
| 710 | A | 66.8 | Low | 60.4 | Low | 18 Ų | 18 | 98 Ų | 98 | 15% | 0.149 | 55% | 0.55 | C | S | . | . | H | α-helix | trans | -64.7 | -54.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110.6 | D708 F712 F713 D714 P737 I740 | D708-A710 PolarHBondContact O-N 3Å; D708-A710 WeakPolarHBondContact OD1-CA 3.28Å; D708-A710 WeakPolarHBondContact OD1-CB 3.49Å; D708-A710 PolarHBondContact OD1-N 3.14Å; A710-F712 VanDerWaalsContact C-N 3.27Å; A710-F712 PolarHBondContact O-N 2.94Å; A710-F713 PolarHBondContact O-N 2.83Å; A710-D714 WeakPolarHBondContact O-CB 3.42Å; A710-D714 PolarHBondContact O-N 3.36Å; A710-P737 HydrophobicContact CB-CB 4.28Å; A710-P737 HydrophobicContact CB-CG 3.9Å; A710-I740 HydrophobicContact CB-CD1 4.2Å |
| 711 | A | 69.4 | Low | 62.4 | Low | 49 Ų | 49 | 89 Ų | 89 | 41% | 0.405 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.6 | -37 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | D708 D714 T715 | D708-A711 HydrophobicContact CB-CB 4.11Å; D708-A711 PolarHBondContact O-N 3.48Å; D708-A711 PolarHBondContact OD1-N 2.87Å; D708-A711 VanDerWaalsContact OD2-CB 3.27Å; D708-A711 WeakPolarHBondContact OD2-CB 3.46Å; D708-A711 PolarHBondContact OD2-N 3.2Å; A711-D714 PolarHBondContact O-N 3.46Å; A711-T715 WeakPolarHBondContact O-CG2 3.37Å; A711-T715 PolarHBondContact O-N 3.15Å; A711-T715 PolarHBondContact O-OG1 3.32Å |
| 712 | F | 74.7 | Confident | 64.6 | Low | 106 Ų | 106 | 86 Ų | 86 | 47% | 0.465 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.6 | -59.8 | 175.6 | 174.3 | -106.6 | 0 | 0 | 0 | 111.7 | D708 L709 A710 D714 T715 L716 | D708-F712 PolarHBondContact O-N 3.49Å; L709-F712 PolarHBondContact O-N 3.47Å; A710-F712 VanDerWaalsContact C-N 3.27Å; A710-F712 PolarHBondContact O-N 2.94Å; F712-D714 VanDerWaalsContact C-N 3.26Å; F712-D714 PolarHBondContact O-N 3.25Å; F712-T715 PolarHBondContact O-N 3.19Å; F712-T715 VanDerWaalsContact O-N 3.14Å; F712-T715 PolarHBondContact O-OG1 3.03Å; F712-L716 HydrophobicContact CE1-CD1 3.96Å; F712-L716 HydrophobicContact CE1-CG 4.46Å; F712-L716 HydrophobicContact CE2-CD2 4.26Å; F712-L716 HydrophobicContact CZ-CD1 4.14Å; F712-L716 HydrophobicContact CZ-CD2 4.09Å; F712-L716 HydrophobicContact CZ-CG 4.38Å; F712-L716 PolarHBondContact O-N 3.16Å |
| 713 | F | 77.1 | Confident | 66.5 | Low | 17 Ų | 17 | 87.2 Ų | 87.2 | 8% | 0.075 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -63.2 | -34.3 | -179.8 | -76.8 | -79.3 | 0 | 0 | 0 | 111.9 | L709 A710 T715 L716 R721 V724 L725 L736 I740 | L709-F713 WeakPolarHBondContact O-CD2 3.39Å; L709-F713 PolarHBondContact O-N 2.99Å; L709-F713 VanDerWaalsContact O-N 3.13Å; A710-F713 PolarHBondContact O-N 2.83Å; F713-T715 VanDerWaalsContact C-N 3.28Å; F713-T715 PolarHBondContact O-N 3.44Å; F713-L716 HydrophobicContact CD1-CD1 3.8Å; F713-L716 HydrophobicContact CE1-CD1 4.13Å; F713-L716 WeakPolarHBondContact O-CB 3.32Å; F713-L716 PolarHBondContact O-N 3.03Å; F713-R721 HydrophobicContact CD1-CG 4.29Å; F713-R721 PolarHBondContact O-NE 2.93Å; F713-R721 PolarHBondContact O-NH2 3.34Å; F713-R721 VanDerWaalsContact O-NH2 3.12Å; F713-V724 HydrophobicContact CE1-CG1 3.92Å; F713-V724 HydrophobicContact CZ-CG1 4.45Å; F713-L725 HydrophobicContact CD1-CD2 3.71Å; F713-L725 HydrophobicContact CD1-CG 4.16Å; F713-L725 HydrophobicContact CE1-CD2 3.4Å; F713-L725 VanDerWaalsContact CE1-CD2 3.4Å; F713-L725 HydrophobicContact CE1-CG 4.11Å; F713-L725 HydrophobicContact CG-CD2 4.48Å; F713-L725 HydrophobicContact CZ-CD2 3.96Å; F713-L736 HydrophobicContact CD2-CD2 3.84Å; F713-L736 HydrophobicContact CE2-CD2 3.23Å; F713-L736 HydrophobicContact CZ-CD2 3.78Å; F713-I740 HydrophobicContact CB-CD1 3.76Å; F713-I740 HydrophobicContact CB-CG1 4.09Å; F713-I740 HydrophobicContact CB-CG2 4.08Å; F713-I740 HydrophobicContact CD1-CG2 4.32Å; F713-I740 HydrophobicContact CD2-CD1 4.43Å; F713-I740 HydrophobicContact CD2-CG2 4.03Å; F713-I740 HydrophobicContact CG-CD1 4.43Å; F713-I740 HydrophobicContact CG-CG2 3.87Å |
| 714 | D | 76 | Confident | 68.6 | Low | 97 Ų | 97 | 85 Ų | 85 | 52% | 0.519 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.3 | -25.2 | 177.8 | -111.7 | -8.8 | 0 | 0 | 0 | 114.2 | A710 A711 F712 R721 | A710-D714 WeakPolarHBondContact O-CB 3.42Å; A710-D714 PolarHBondContact O-N 3.36Å; A711-D714 PolarHBondContact O-N 3.46Å; F712-D714 VanDerWaalsContact C-N 3.26Å; F712-D714 PolarHBondContact O-N 3.25Å; D714-R721 VanDerWaalsContact CA-NH2 3.32Å; D714-R721 PolarHBondContact O-NH2 2.94Å; D714-R721 IonicContact OD1-CZ 2.73Å; D714-R721 IonicContact OD1-NH1 3.62Å; D714-R721 PolarHBondContact OD1-NH1 3.36Å; D714-R721 IonicContact OD1-NH2 3.35Å; D714-R721 PolarHBondContact OD1-NH2 3.32Å |
| 715 | T | 79 | Confident | 71.1 | Confident | 111 Ų | 111 | 77.3 Ų | 77.3 | 68% | 0.681 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -79.1 | -17.8 | 170.5 | 61.6 | 0 | 0 | 0 | 0 | 114.5 | A711 F712 F713 | A711-T715 WeakPolarHBondContact O-CG2 3.37Å; A711-T715 PolarHBondContact O-N 3.15Å; A711-T715 PolarHBondContact O-OG1 3.32Å; F712-T715 PolarHBondContact O-N 3.19Å; F712-T715 VanDerWaalsContact O-N 3.14Å; F712-T715 PolarHBondContact O-OG1 3.03Å; F713-T715 VanDerWaalsContact C-N 3.28Å; F713-T715 PolarHBondContact O-N 3.44Å |
| 716 | L | 80.3 | Confident | 72.9 | Confident | 26 Ų | 26 | 74.3 Ų | 74.3 | 14% | 0.136 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -70.1 | 134.8 | 179.6 | -65 | -176 | 0 | 0 | 0 | 111.5 | F712 F713 R718 L720 R721 | F712-L716 HydrophobicContact CE1-CD1 3.96Å; F712-L716 HydrophobicContact CE1-CG 4.46Å; F712-L716 HydrophobicContact CE2-CD2 4.26Å; F712-L716 HydrophobicContact CZ-CD1 4.14Å; F712-L716 HydrophobicContact CZ-CD2 4.09Å; F712-L716 HydrophobicContact CZ-CG 4.38Å; F712-L716 PolarHBondContact O-N 3.16Å; F713-L716 HydrophobicContact CD1-CD1 3.8Å; F713-L716 HydrophobicContact CE1-CD1 4.13Å; F713-L716 WeakPolarHBondContact O-CB 3.32Å; F713-L716 PolarHBondContact O-N 3.03Å; L716-R718 PolarHBondContact O-N 3.37Å; L716-L720 HydrophobicContact CD2-CD2 4.48Å; L716-R721 HydrophobicContact CB-CB 4.04Å; L716-R721 PolarHBondContact O-NH2 2.98Å |
| 717 | P | 78.2 | Confident | 74.5 | Confident | 89 Ų | 89 | 72.7 Ų | 72.7 | 58% | 0.578 | 40% | 0.396 | S | S | * | . | trans | -55.1 | 135 | 171.1 | -23.6 | 33.1 | 0 | 0 | 0 | 110.4 | A719 L720 R721 | P717-A719 VanDerWaalsContact C-N 3.27Å; P717-A719 PolarHBondContact O-N 3.12Å; P717-L720 WeakPolarHBondContact O-CA 3.12Å; P717-L720 WeakPolarHBondContact O-CB 3.35Å; P717-L720 PolarHBondContact O-N 2.97Å; P717-R721 PolarHBondContact O-N 2.85Å | ||
| 718 | R | 74.5 | Confident | 76 | Confident | 155 Ų | 155 | 66.9 Ų | 66.9 | 59% | 0.585 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -50.1 | -42.3 | -170 | -170.9 | 173.3 | 179.5 | -75.6 | -12.9 | 113.9 | L716 L720 R721 E722 | L716-R718 PolarHBondContact O-N 3.37Å; R718-L720 VanDerWaalsContact C-N 3.34Å; R718-L720 PolarHBondContact O-N 2.72Å; R718-R721 PolarHBondContact O-N 2.79Å; R718-E722 HydrophobicContact CG-CG 4.23Å; R718-E722 IonicContact CZ-OE1 3.81Å; R718-E722 IonicContact CZ-OE2 2.71Å; R718-E722 IonicContact NE-OE1 2.83Å; R718-E722 IonicContact NH1-OE1 3.74Å; R718-E722 PolarHBondContact NH1-OE1 2.93Å; R718-E722 IonicContact NH1-OE2 3.77Å; R718-E722 PolarHBondContact NH1-OE2 3.41Å; R718-E722 IonicContact NH2-OE1 2.61Å; R718-E722 PolarHBondContact NH2-OE1 3.08Å; R718-E722 VanDerWaalsContact O-CB 3.28Å; R718-E722 WeakPolarHBondContact O-CB 3.34Å; R718-E722 WeakPolarHBondContact O-CG 3.33Å; R718-E722 PolarHBondContact O-N 3.13Å |
| 719 | A | 75.1 | Confident | 76.8 | Confident | 76 Ų | 76 | 65.5 Ų | 65.5 | 63% | 0.628 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -65.7 | -31.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | P717 Q723 | P717-A719 VanDerWaalsContact C-N 3.27Å; P717-A719 PolarHBondContact O-N 3.12Å; A719-Q723 PolarHBondContact O-N 3.18Å; A719-Q723 VanDerWaalsContact O-N 3.15Å |
| 720 | L | 78.3 | Confident | 77.4 | Confident | 87 Ų | 87 | 68 Ų | 68 | 46% | 0.455 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -79.4 | -39.6 | 176.2 | -158.1 | 78.7 | 0 | 0 | 0 | 110.9 | L716 P717 R718 Q723 V724 | L716-L720 HydrophobicContact CD2-CD2 4.48Å; P717-L720 WeakPolarHBondContact O-CA 3.12Å; P717-L720 WeakPolarHBondContact O-CB 3.35Å; P717-L720 PolarHBondContact O-N 2.97Å; R718-L720 VanDerWaalsContact C-N 3.34Å; R718-L720 PolarHBondContact O-N 2.72Å; L720-Q723 PolarHBondContact O-N 2.75Å; L720-V724 WeakPolarHBondContact O-CG2 3.41Å; L720-V724 PolarHBondContact O-N 3.36Å |
| 721 | R | 86.1 | Confident | 77.7 | Confident | 33 Ų | 33 | 70.4 Ų | 70.4 | 13% | 0.125 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -55.6 | -51.2 | 169.1 | -168.7 | -168.7 | -51.9 | -161.4 | 0.4 | 110.5 | F713 D714 L716 P717 R718 Q723 V724 L725 E743 | F713-R721 HydrophobicContact CD1-CG 4.29Å; F713-R721 PolarHBondContact O-NE 2.93Å; F713-R721 PolarHBondContact O-NH2 3.34Å; F713-R721 VanDerWaalsContact O-NH2 3.12Å; D714-R721 VanDerWaalsContact CA-NH2 3.32Å; D714-R721 PolarHBondContact O-NH2 2.94Å; D714-R721 IonicContact OD1-CZ 2.73Å; D714-R721 IonicContact OD1-NH1 3.62Å; D714-R721 PolarHBondContact OD1-NH1 3.36Å; D714-R721 IonicContact OD1-NH2 3.35Å; D714-R721 PolarHBondContact OD1-NH2 3.32Å; L716-R721 HydrophobicContact CB-CB 4.04Å; L716-R721 PolarHBondContact O-NH2 2.98Å; P717-R721 PolarHBondContact O-N 2.85Å; R718-R721 PolarHBondContact O-N 2.79Å; R721-Q723 PolarHBondContact O-N 2.96Å; R721-V724 PolarHBondContact O-N 3.48Å; R721-L725 HydrophobicContact CG-CD1 3.79Å; R721-L725 HydrophobicContact CG-CG 4.28Å; R721-L725 VanDerWaalsContact O-CB 3.3Å; R721-L725 WeakPolarHBondContact O-CB 3.41Å; R721-L725 VanDerWaalsContact O-CG 3.25Å; R721-L725 WeakPolarHBondContact O-CG 3.49Å; R721-L725 PolarHBondContact O-N 3.46Å; R721-E743 WeakPolarHBondContact CD-OE2 3.39Å; R721-E743 IonicContact NH1-OE2 3.61Å |
| 722 | E | 83.3 | Confident | 77.8 | Confident | 55 Ų | 55 | 72.7 Ų | 72.7 | 26% | 0.257 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.5 | -32.4 | 178.3 | -74.5 | -179.2 | 131.7 | 0 | 0 | 112.7 | R718 A726 L747 | R718-E722 HydrophobicContact CG-CG 4.23Å; R718-E722 IonicContact CZ-OE1 3.81Å; R718-E722 IonicContact CZ-OE2 2.71Å; R718-E722 IonicContact NE-OE1 2.83Å; R718-E722 IonicContact NH1-OE1 3.74Å; R718-E722 PolarHBondContact NH1-OE1 2.93Å; R718-E722 IonicContact NH1-OE2 3.77Å; R718-E722 PolarHBondContact NH1-OE2 3.41Å; R718-E722 IonicContact NH2-OE1 2.61Å; R718-E722 PolarHBondContact NH2-OE1 3.08Å; R718-E722 VanDerWaalsContact O-CB 3.28Å; R718-E722 WeakPolarHBondContact O-CB 3.34Å; R718-E722 WeakPolarHBondContact O-CG 3.33Å; R718-E722 PolarHBondContact O-N 3.13Å; E722-A726 WeakPolarHBondContact O-CB 3.5Å; E722-A726 PolarHBondContact O-N 3.07Å; E722-L747 HydrophobicContact CB-CD1 4.23Å; E722-L747 HydrophobicContact CB-CD2 3.87Å; E722-L747 HydrophobicContact CG-CD1 4.17Å; E722-L747 HydrophobicContact CG-CD2 3.83Å |
| 723 | Q | 77.3 | Confident | 78 | Confident | 111 Ų | 111 | 68 Ų | 68 | 52% | 0.519 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -76.2 | -50.5 | 174.9 | -173 | 177.9 | -20.3 | 0 | 0 | 112.3 | A719 L720 R721 L725 A726 D727 | A719-Q723 PolarHBondContact O-N 3.18Å; A719-Q723 VanDerWaalsContact O-N 3.15Å; L720-Q723 PolarHBondContact O-N 2.75Å; R721-Q723 PolarHBondContact O-N 2.96Å; Q723-L725 PolarHBondContact O-N 2.53Å; Q723-A726 PolarHBondContact O-N 3.44Å; Q723-A726 VanDerWaalsContact O-N 3.08Å; Q723-D727 WeakPolarHBondContact CG-OD2 3.33Å; Q723-D727 PolarHBondContact NE2-OD2 3.38Å; Q723-D727 WeakPolarHBondContact O-CB 3.21Å; Q723-D727 PolarHBondContact O-N 2.8Å |
| 724 | V | 80.1 | Confident | 77.9 | Confident | 59 Ų | 59 | 71.2 Ų | 71.2 | 36% | 0.358 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.8 | -45 | -178.8 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | F713 L720 R721 A726 D727 A728 | F713-V724 HydrophobicContact CE1-CG1 3.92Å; F713-V724 HydrophobicContact CZ-CG1 4.45Å; L720-V724 WeakPolarHBondContact O-CG2 3.41Å; L720-V724 PolarHBondContact O-N 3.36Å; R721-V724 PolarHBondContact O-N 3.48Å; V724-A726 PolarHBondContact O-N 3.48Å; V724-D727 PolarHBondContact O-N 3Å; V724-A728 WeakPolarHBondContact O-CB 3.1Å; V724-A728 PolarHBondContact O-N 3.4Å |
| 725 | L | 85.1 | Confident | 77.8 | Confident | 2 Ų | 2 | 72.8 Ų | 72.8 | 1% | 0.01 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -69.7 | -17.1 | 177.3 | -63.7 | -176.7 | 0 | 0 | 0 | 113.8 | F713 R721 Q723 L736 I740 E743 A744 L747 | F713-L725 HydrophobicContact CD1-CD2 3.71Å; F713-L725 HydrophobicContact CD1-CG 4.16Å; F713-L725 HydrophobicContact CE1-CD2 3.4Å; F713-L725 VanDerWaalsContact CE1-CD2 3.4Å; F713-L725 HydrophobicContact CE1-CG 4.11Å; F713-L725 HydrophobicContact CG-CD2 4.48Å; F713-L725 HydrophobicContact CZ-CD2 3.96Å; R721-L725 HydrophobicContact CG-CD1 3.79Å; R721-L725 HydrophobicContact CG-CG 4.28Å; R721-L725 VanDerWaalsContact O-CB 3.3Å; R721-L725 WeakPolarHBondContact O-CB 3.41Å; R721-L725 VanDerWaalsContact O-CG 3.25Å; R721-L725 WeakPolarHBondContact O-CG 3.49Å; R721-L725 PolarHBondContact O-N 3.46Å; Q723-L725 PolarHBondContact O-N 2.53Å; L725-L736 HydrophobicContact CD2-CD1 3.72Å; L725-I740 HydrophobicContact CD1-CG2 3.86Å; L725-I740 HydrophobicContact CD2-CG2 3.73Å; L725-I740 HydrophobicContact CG-CG2 4.44Å; L725-E743 HydrophobicContact CD1-CB 4.03Å; L725-E743 HydrophobicContact CD1-CG 3.88Å; L725-A744 HydrophobicContact CB-CB 3.86Å; L725-A744 HydrophobicContact CD1-CB 4.4Å; L725-A744 HydrophobicContact CD2-CB 4.09Å; L725-A744 HydrophobicContact CG-CB 4.34Å; L725-L747 HydrophobicContact CB-CD1 3.63Å; L725-L747 HydrophobicContact CD1-CD1 4.1Å; L725-L747 HydrophobicContact CG-CD1 4.49Å |
| 726 | A | 79.5 | Confident | 77.7 | Confident | 21 Ų | 21 | 68.2 Ų | 68.2 | 17% | 0.174 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -90.4 | -33.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E722 Q723 V724 L747 A751 | E722-A726 WeakPolarHBondContact O-CB 3.5Å; E722-A726 PolarHBondContact O-N 3.07Å; Q723-A726 PolarHBondContact O-N 3.44Å; Q723-A726 VanDerWaalsContact O-N 3.08Å; V724-A726 PolarHBondContact O-N 3.48Å; A726-L747 HydrophobicContact CB-CB 4.31Å; A726-A751 HydrophobicContact CB-CB 4.13Å |
| 727 | D | 78 | Confident | 77.5 | Confident | 98 Ų | 98 | 69 Ų | 69 | 52% | 0.524 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -94.2 | -8.5 | -176.6 | -71.2 | -22.9 | 0 | 0 | 0 | 113.6 | Q723 V724 | Q723-D727 WeakPolarHBondContact CG-OD2 3.33Å; Q723-D727 PolarHBondContact NE2-OD2 3.38Å; Q723-D727 WeakPolarHBondContact O-CB 3.21Å; Q723-D727 PolarHBondContact O-N 2.8Å; V724-D727 PolarHBondContact O-N 3Å |
| 728 | A | 76.9 | Confident | 77.5 | Confident | 21 Ų | 21 | 70.7 Ų | 70.7 | 17% | 0.174 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -62.3 | 174.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V724 Q732 R748 | V724-A728 WeakPolarHBondContact O-CB 3.1Å; V724-A728 PolarHBondContact O-N 3.4Å; A728-Q732 HydrophobicContact CB-CB 4.1Å; A728-R748 VanDerWaalsContact O-CZ 3.22Å; A728-R748 PolarHBondContact O-NE 2.84Å; A728-R748 PolarHBondContact O-NH2 2.98Å |
| 729 | D | 78.3 | Confident | 77.8 | Confident | 72 Ų | 72 | 68.3 Ų | 68.3 | 39% | 0.385 | 39% | 0.387 | S | S | . | . | trans | -102.8 | 173.9 | 172.6 | 45.4 | 40.1 | 0 | 0 | 0 | 112.8 | S731 Q732 I733 R748 | D729-S731 PolarHBondContact OD1-OG 3.18Å; D729-S731 VanDerWaalsContact OD1-OG 3.12Å; D729-Q732 VanDerWaalsContact CG-NE2 3.25Å; D729-Q732 PolarHBondContact O-N 3.03Å; D729-Q732 WeakPolarHBondContact OD1-CB 3.46Å; D729-Q732 WeakPolarHBondContact OD1-CG 3.47Å; D729-Q732 PolarHBondContact OD1-N 2.71Å; D729-Q732 PolarHBondContact OD1-NE2 2.93Å; D729-Q732 VanDerWaalsContact OD1-NE2 3.1Å; D729-Q732 PolarHBondContact OD2-NE2 3.43Å; D729-I733 PolarHBondContact O-N 2.96Å; D729-R748 VanDerWaalsContact C-NH2 3.25Å; D729-R748 VanDerWaalsContact O-CZ 3.28Å; D729-R748 PolarHBondContact O-NH1 2.81Å; D729-R748 PolarHBondContact O-NH2 3.18Å | ||
| 730 | D | 72.2 | Confident | 78.1 | Confident | 125 Ų | 125 | 64.7 Ų | 64.7 | 67% | 0.668 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -71.7 | -30.9 | -174.9 | -72 | -60.4 | 0 | 0 | 0 | 112.7 | I733 A734 R748 | D730-I733 PolarHBondContact O-N 3.19Å; D730-I733 VanDerWaalsContact O-N 3.16Å; D730-A734 PolarHBondContact O-N 3.1Å; D730-R748 VanDerWaalsContact CA-NH1 3.28Å; D730-R748 IonicContact OD1-CZ 2.84Å; D730-R748 IonicContact OD1-NH1 3.71Å; D730-R748 PolarHBondContact OD1-NH1 2.81Å; D730-R748 IonicContact OD2-NH1 2.89Å |
| 731 | S | 73.2 | Confident | 78.2 | Confident | 69 Ų | 69 | 60.6 Ų | 60.6 | 48% | 0.483 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.4 | -47.2 | 169.3 | 45.9 | 0 | 0 | 0 | 0 | 112.2 | D729 I733 A734 | D729-S731 PolarHBondContact OD1-OG 3.18Å; D729-S731 VanDerWaalsContact OD1-OG 3.12Å; S731-I733 PolarHBondContact O-N 2.91Å; S731-A734 WeakPolarHBondContact O-CB 3.49Å; S731-A734 PolarHBondContact O-N 3.46Å; S731-A734 VanDerWaalsContact O-N 3.12Å |
| 732 | Q | 69.6 | Low | 78 | Confident | 96 Ų | 96 | 63.6 Ų | 63.6 | 45% | 0.449 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.1 | -21.3 | 172.7 | -74.5 | 167.1 | 50.7 | 0 | 0 | 113.7 | A728 D729 L736 | A728-Q732 HydrophobicContact CB-CB 4.1Å; D729-Q732 VanDerWaalsContact CG-NE2 3.25Å; D729-Q732 PolarHBondContact O-N 3.03Å; D729-Q732 WeakPolarHBondContact OD1-CB 3.46Å; D729-Q732 WeakPolarHBondContact OD1-CG 3.47Å; D729-Q732 PolarHBondContact OD1-N 2.71Å; D729-Q732 PolarHBondContact OD1-NE2 2.93Å; D729-Q732 VanDerWaalsContact OD1-NE2 3.1Å; D729-Q732 PolarHBondContact OD2-NE2 3.43Å; Q732-L736 VanDerWaalsContact O-CG 3.23Å; Q732-L736 WeakPolarHBondContact O-CG 3.22Å |
| 733 | I | 79.8 | Confident | 77.9 | Confident | 9 Ų | 9 | 63 Ų | 63 | 5% | 0.046 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -77.1 | -35 | 172.6 | -80.4 | -171.7 | 0 | 0 | 0 | 112.3 | D729 D730 S731 L735 L736 A741 A744 R745 | D729-I733 PolarHBondContact O-N 2.96Å; D730-I733 PolarHBondContact O-N 3.19Å; D730-I733 VanDerWaalsContact O-N 3.16Å; S731-I733 PolarHBondContact O-N 2.91Å; I733-L735 PolarHBondContact O-N 3.26Å; I733-L736 HydrophobicContact CG1-CD1 4.15Å; I733-L736 PolarHBondContact O-N 3.28Å; I733-A741 HydrophobicContact CG2-CB 4.46Å; I733-A744 HydrophobicContact CD1-CB 3.38Å; I733-A744 HydrophobicContact CG1-CB 3.66Å; I733-R745 HydrophobicContact CG2-CG 4.31Å |
| 734 | A | 74.7 | Confident | 78.1 | Confident | 83 Ų | 83 | 57.8 Ų | 57.8 | 69% | 0.686 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -60.5 | -36.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D730 S731 L736 | D730-A734 PolarHBondContact O-N 3.1Å; S731-A734 WeakPolarHBondContact O-CB 3.49Å; S731-A734 PolarHBondContact O-N 3.46Å; S731-A734 VanDerWaalsContact O-N 3.12Å; A734-L736 PolarHBondContact O-N 3.16Å |
| 735 | L | 73.6 | Confident | 78.1 | Confident | 130 Ų | 130 | 61.5 Ų | 61.5 | 68% | 0.681 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -2.6 | 179.2 | -66.6 | 166 | 0 | 0 | 0 | 114.7 | L709 I733 | L709-L735 VanDerWaalsContact CD1-O 3.29Å; L709-L735 WeakPolarHBondContact CD1-O 3.49Å; I733-L735 PolarHBondContact O-N 3.26Å |
| 736 | L | 76.8 | Confident | 77.8 | Confident | 16 Ų | 16 | 69.5 Ų | 69.5 | 8% | 0.084 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -91.2 | 137.1 | -174.9 | -60.8 | 170.7 | 0 | 0 | 0 | 112.2 | F713 L725 Q732 I733 A734 N738 I740 A741 A744 | F713-L736 HydrophobicContact CD2-CD2 3.84Å; F713-L736 HydrophobicContact CE2-CD2 3.23Å; F713-L736 HydrophobicContact CZ-CD2 3.78Å; L725-L736 HydrophobicContact CD2-CD1 3.72Å; Q732-L736 VanDerWaalsContact O-CG 3.23Å; Q732-L736 WeakPolarHBondContact O-CG 3.22Å; I733-L736 HydrophobicContact CG1-CD1 4.15Å; I733-L736 PolarHBondContact O-N 3.28Å; A734-L736 PolarHBondContact O-N 3.16Å; L736-N738 PolarHBondContact O-N 2.99Å; L736-I740 HydrophobicContact CB-CB 4.36Å; L736-I740 HydrophobicContact CB-CG2 4.15Å; L736-I740 HydrophobicContact CD1-CG2 4.03Å; L736-I740 HydrophobicContact CD2-CG2 4.11Å; L736-I740 HydrophobicContact CG-CG2 4.3Å; L736-A741 HydrophobicContact CB-CB 4.02Å; L736-A744 HydrophobicContact CD1-CB 4.14Å |
| 737 | P | 77.3 | Confident | 77.8 | Confident | 42 Ų | 42 | 69.4 Ų | 69.4 | 27% | 0.273 | 36% | 0.358 | S | S | . | . | trans | -52.9 | 137 | 170.2 | -26.9 | 35.3 | 0 | 0 | 0 | 111.4 | L709 A710 H739 I740 A741 | L709-P737 HydrophobicContact CB-CG 4.33Å; A710-P737 HydrophobicContact CB-CB 4.28Å; A710-P737 HydrophobicContact CB-CG 3.9Å; P737-H739 PolarHBondContact O-N 3.49Å; P737-I740 HydrophobicContact CB-CD1 4.42Å; P737-I740 HydrophobicContact CG-CD1 4.4Å; P737-I740 WeakPolarHBondContact O-CA 3.47Å; P737-I740 PolarHBondContact O-N 3.25Å; P737-A741 PolarHBondContact O-N 2.98Å | ||
| 738 | N | 77.4 | Confident | 77.5 | Confident | 124 Ų | 124 | 67 Ų | 67 | 66% | 0.663 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -43.6 | -38.3 | -166.1 | -82.2 | -43.8 | 0 | 0 | 0 | 116.4 | L736 A741 E742 | L736-N738 PolarHBondContact O-N 2.99Å; N738-A741 PolarHBondContact O-N 3.34Å; N738-E742 WeakPolarHBondContact O-CB 3.28Å; N738-E742 WeakPolarHBondContact O-CG 3.27Å; N738-E742 PolarHBondContact O-N 2.83Å |
| 739 | H | 80.3 | Confident | 77 | Confident | 106 Ų | 106 | 69 Ų | 69 | 49% | 0.491 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69.1 | -33.6 | 178.9 | 63.5 | -78.6 | 0 | 0 | 0 | 113.6 | P737 E743 | P737-H739 PolarHBondContact O-N 3.49Å; H739-E743 PolarHBondContact O-N 1.97Å; H739-E743 VanDerWaalsContact O-N 3.12Å |
| 740 | I | 81.7 | Confident | 76.2 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -82 | -36.5 | 174.3 | -65 | 149.4 | 0 | 0 | 0 | 110.2 | A710 F713 L725 L736 P737 E742 E743 A744 | A710-I740 HydrophobicContact CB-CD1 4.2Å; F713-I740 HydrophobicContact CB-CD1 3.76Å; F713-I740 HydrophobicContact CB-CG1 4.09Å; F713-I740 HydrophobicContact CB-CG2 4.08Å; F713-I740 HydrophobicContact CD1-CG2 4.32Å; F713-I740 HydrophobicContact CD2-CD1 4.43Å; F713-I740 HydrophobicContact CD2-CG2 4.03Å; F713-I740 HydrophobicContact CG-CD1 4.43Å; F713-I740 HydrophobicContact CG-CG2 3.87Å; L725-I740 HydrophobicContact CD1-CG2 3.86Å; L725-I740 HydrophobicContact CD2-CG2 3.73Å; L725-I740 HydrophobicContact CG-CG2 4.44Å; L736-I740 HydrophobicContact CB-CB 4.36Å; L736-I740 HydrophobicContact CB-CG2 4.15Å; L736-I740 HydrophobicContact CD1-CG2 4.03Å; L736-I740 HydrophobicContact CD2-CG2 4.11Å; L736-I740 HydrophobicContact CG-CG2 4.3Å; P737-I740 HydrophobicContact CB-CD1 4.42Å; P737-I740 HydrophobicContact CG-CD1 4.4Å; P737-I740 WeakPolarHBondContact O-CA 3.47Å; P737-I740 PolarHBondContact O-N 3.25Å; I740-E742 VanDerWaalsContact C-N 3.3Å; I740-E742 PolarHBondContact O-N 2.97Å; I740-E743 PolarHBondContact O-N 2.85Å; I740-E743 VanDerWaalsContact O-N 3.14Å; I740-A744 WeakPolarHBondContact O-CB 3.28Å; I740-A744 PolarHBondContact O-N 3.5Å |
| 741 | A | 81.8 | Confident | 75.2 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.008 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I733 L736 P737 N738 A744 R745 | I733-A741 HydrophobicContact CG2-CB 4.46Å; L736-A741 HydrophobicContact CB-CB 4.02Å; P737-A741 PolarHBondContact O-N 2.98Å; N738-A741 PolarHBondContact O-N 3.34Å; A741-A744 PolarHBondContact O-N 2.77Å; A741-R745 WeakPolarHBondContact O-CB 3.26Å; A741-R745 VanDerWaalsContact O-CG 3.26Å; A741-R745 WeakPolarHBondContact O-CG 3.03Å; A741-R745 PolarHBondContact O-N 3.24Å |
| 742 | E | 81 | Confident | 73.7 | Confident | 96 Ų | 96 | 65.3 Ų | 65.3 | 45% | 0.449 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.2 | -39.8 | 170.8 | -84.4 | -166.7 | -155.4 | 0 | 0 | 113.1 | N738 I740 A744 R746 | N738-E742 WeakPolarHBondContact O-CB 3.28Å; N738-E742 WeakPolarHBondContact O-CG 3.27Å; N738-E742 PolarHBondContact O-N 2.83Å; I740-E742 VanDerWaalsContact C-N 3.3Å; I740-E742 PolarHBondContact O-N 2.97Å; E742-A744 VanDerWaalsContact C-N 3.33Å; E742-R746 WeakPolarHBondContact O-CB 3.32Å; E742-R746 VanDerWaalsContact O-CG 3.29Å; E742-R746 WeakPolarHBondContact O-CG 3.5Å; E742-R746 PolarHBondContact O-N 3.45Å; E742-R746 IonicContact OE2-NH2 2.82Å; E742-R746 PolarHBondContact OE2-NH2 3.36Å |
| 743 | E | 81.8 | Confident | 72.3 | Confident | 43 Ų | 43 | 63.2 Ų | 63.2 | 20% | 0.201 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 173.6 | -170.8 | 168.8 | -156.8 | 0 | 0 | 110.3 | R721 L725 H739 I740 R746 L747 | R721-E743 WeakPolarHBondContact CD-OE2 3.39Å; R721-E743 IonicContact NH1-OE2 3.61Å; L725-E743 HydrophobicContact CD1-CB 4.03Å; L725-E743 HydrophobicContact CD1-CG 3.88Å; H739-E743 PolarHBondContact O-N 1.97Å; H739-E743 VanDerWaalsContact O-N 3.12Å; I740-E743 PolarHBondContact O-N 2.85Å; I740-E743 VanDerWaalsContact O-N 3.14Å; E743-R746 PolarHBondContact O-N 2.89Å; E743-L747 HydrophobicContact CG-CD1 3.85Å; E743-L747 WeakPolarHBondContact O-CB 3.44Å; E743-L747 WeakPolarHBondContact O-CD1 3.38Å; E743-L747 WeakPolarHBondContact O-CG 3.32Å; E743-L747 PolarHBondContact O-N 2.92Å |
| 744 | A | 82 | Confident | 70 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66 | -45.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L725 I733 L736 I740 A741 E742 R746 L747 R748 | L725-A744 HydrophobicContact CB-CB 3.86Å; L725-A744 HydrophobicContact CD1-CB 4.4Å; L725-A744 HydrophobicContact CD2-CB 4.09Å; L725-A744 HydrophobicContact CG-CB 4.34Å; I733-A744 HydrophobicContact CD1-CB 3.38Å; I733-A744 HydrophobicContact CG1-CB 3.66Å; L736-A744 HydrophobicContact CD1-CB 4.14Å; I740-A744 WeakPolarHBondContact O-CB 3.28Å; I740-A744 PolarHBondContact O-N 3.5Å; A741-A744 PolarHBondContact O-N 2.77Å; E742-A744 VanDerWaalsContact C-N 3.33Å; A744-R746 VanDerWaalsContact C-N 3.34Å; A744-R746 PolarHBondContact O-N 3.22Å; A744-L747 CarbonylContact O-C 3.55Å; A744-L747 PolarHBondContact O-N 3.19Å; A744-L747 VanDerWaalsContact O-N 3.09Å; A744-R748 PolarHBondContact O-N 2.99Å |
| 745 | R | 79.5 | Confident | 67.9 | Low | 138 Ų | 138 | 71.8 Ų | 71.8 | 52% | 0.521 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.8 | -41.2 | 173.5 | -69.5 | 175.2 | -151.1 | 148.2 | 4.7 | 111.5 | I733 A741 L747 A749 | I733-R745 HydrophobicContact CG2-CG 4.31Å; A741-R745 WeakPolarHBondContact O-CB 3.26Å; A741-R745 VanDerWaalsContact O-CG 3.26Å; A741-R745 WeakPolarHBondContact O-CG 3.03Å; A741-R745 PolarHBondContact O-N 3.24Å; R745-L747 VanDerWaalsContact C-N 3.34Å; R745-A749 VanDerWaalsContact O-CB 3.29Å; R745-A749 WeakPolarHBondContact O-CB 3.19Å; R745-A749 PolarHBondContact O-N 3.35Å |
| 746 | R | 77.9 | Confident | 65.9 | Low | 170 Ų | 170 | 70.3 Ų | 70.3 | 64% | 0.642 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63.3 | -39.5 | 172.2 | -77.6 | 178.6 | -178.1 | 156.7 | 12.3 | 111.8 | E742 E743 A744 A749 T750 | E742-R746 WeakPolarHBondContact O-CB 3.32Å; E742-R746 VanDerWaalsContact O-CG 3.29Å; E742-R746 WeakPolarHBondContact O-CG 3.5Å; E742-R746 PolarHBondContact O-N 3.45Å; E742-R746 IonicContact OE2-NH2 2.82Å; E742-R746 PolarHBondContact OE2-NH2 3.36Å; E743-R746 PolarHBondContact O-N 2.89Å; A744-R746 VanDerWaalsContact C-N 3.34Å; A744-R746 PolarHBondContact O-N 3.22Å; R746-A749 PolarHBondContact O-N 2.96Å; R746-T750 WeakPolarHBondContact O-CG2 3.48Å; R746-T750 PolarHBondContact O-N 3.45Å; R746-T750 PolarHBondContact O-OG1 3.03Å |
| 747 | L | 79.7 | Confident | 63.6 | Low | 18 Ų | 18 | 79.7 Ų | 79.7 | 9% | 0.094 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -68.1 | -46.2 | 179 | -76.3 | 162.1 | 0 | 0 | 0 | 111.7 | E722 L725 A726 E743 A744 R745 A749 T750 A751 | E722-L747 HydrophobicContact CB-CD1 4.23Å; E722-L747 HydrophobicContact CB-CD2 3.87Å; E722-L747 HydrophobicContact CG-CD1 4.17Å; E722-L747 HydrophobicContact CG-CD2 3.83Å; L725-L747 HydrophobicContact CB-CD1 3.63Å; L725-L747 HydrophobicContact CD1-CD1 4.1Å; L725-L747 HydrophobicContact CG-CD1 4.49Å; A726-L747 HydrophobicContact CB-CB 4.31Å; E743-L747 HydrophobicContact CG-CD1 3.85Å; E743-L747 WeakPolarHBondContact O-CB 3.44Å; E743-L747 WeakPolarHBondContact O-CD1 3.38Å; E743-L747 WeakPolarHBondContact O-CG 3.32Å; E743-L747 PolarHBondContact O-N 2.92Å; A744-L747 CarbonylContact O-C 3.55Å; A744-L747 PolarHBondContact O-N 3.19Å; A744-L747 VanDerWaalsContact O-N 3.09Å; R745-L747 VanDerWaalsContact C-N 3.34Å; L747-A749 VanDerWaalsContact C-N 3.32Å; L747-A749 PolarHBondContact O-N 2.86Å; L747-T750 WeakPolarHBondContact CA-OG1 3.26Å; L747-T750 CarbonylContact O-C 3.6Å; L747-T750 WeakPolarHBondContact O-CA 3.36Å; L747-T750 PolarHBondContact O-N 3.15Å; L747-T750 PolarHBondContact O-OG1 3.36Å; L747-A751 VanDerWaalsContact O-CB 3.23Å; L747-A751 WeakPolarHBondContact O-CB 3.19Å; L747-A751 PolarHBondContact O-N 3.43Å |
| 748 | R | 72.4 | Confident | 61.4 | Low | 49 Ų | 49 | 80 Ų | 80 | 19% | 0.185 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -59.2 | -41.8 | 171.5 | -69.8 | -165.1 | -178.7 | 138.8 | 24.7 | 112.3 | A728 D729 D730 A744 T750 A751 G752 | A728-R748 VanDerWaalsContact O-CZ 3.22Å; A728-R748 PolarHBondContact O-NE 2.84Å; A728-R748 PolarHBondContact O-NH2 2.98Å; D729-R748 VanDerWaalsContact C-NH2 3.25Å; D729-R748 VanDerWaalsContact O-CZ 3.28Å; D729-R748 PolarHBondContact O-NH1 2.81Å; D729-R748 PolarHBondContact O-NH2 3.18Å; D730-R748 VanDerWaalsContact CA-NH1 3.28Å; D730-R748 IonicContact OD1-CZ 2.84Å; D730-R748 IonicContact OD1-NH1 3.71Å; D730-R748 PolarHBondContact OD1-NH1 2.81Å; D730-R748 IonicContact OD2-NH1 2.89Å; A744-R748 PolarHBondContact O-N 2.99Å; R748-T750 PolarHBondContact O-N 2.33Å; R748-A751 PolarHBondContact O-N 3.41Å; R748-G752 PolarHBondContact O-N 3.09Å |
| 749 | A | 65.8 | Low | 59.5 | Low | 61 Ų | 61 | 76.3 Ų | 76.3 | 50% | 0.504 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63 | -18.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | R745 R746 L747 N753 | R745-A749 VanDerWaalsContact O-CB 3.29Å; R745-A749 WeakPolarHBondContact O-CB 3.19Å; R745-A749 PolarHBondContact O-N 3.35Å; R746-A749 PolarHBondContact O-N 2.96Å; L747-A749 VanDerWaalsContact C-N 3.32Å; L747-A749 PolarHBondContact O-N 2.86Å; A749-N753 PolarHBondContact O-ND2 3.3Å |
| 750 | T | 62 | Low | 57.3 | Low | 86 Ų | 86 | 74.5 Ų | 74.5 | 53% | 0.528 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -101.7 | -22.8 | 171.5 | 57.3 | 0 | 0 | 0 | 0 | 113.8 | R746 L747 R748 N753 | R746-T750 WeakPolarHBondContact O-CG2 3.48Å; R746-T750 PolarHBondContact O-N 3.45Å; R746-T750 PolarHBondContact O-OG1 3.03Å; L747-T750 WeakPolarHBondContact CA-OG1 3.26Å; L747-T750 CarbonylContact O-C 3.6Å; L747-T750 WeakPolarHBondContact O-CA 3.36Å; L747-T750 PolarHBondContact O-N 3.15Å; L747-T750 PolarHBondContact O-OG1 3.36Å; R748-T750 PolarHBondContact O-N 2.33Å; T750-N753 CarbonylContact O-C 3.58Å; T750-N753 VanDerWaalsContact O-C 3.24Å; T750-N753 WeakPolarHBondContact O-CA 3.21Å; T750-N753 VanDerWaalsContact O-CB 3.27Å; T750-N753 WeakPolarHBondContact O-CB 3.28Å; T750-N753 PolarHBondContact O-N 3.14Å |
| 751 | A | 51.8 | Low | 55 | Low | 29 Ų | 29 | 76.3 Ų | 76.3 | 24% | 0.24 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -87.9 | -35.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113 | A726 L747 R748 N753 R754 | A726-A751 HydrophobicContact CB-CB 4.13Å; L747-A751 VanDerWaalsContact O-CB 3.23Å; L747-A751 WeakPolarHBondContact O-CB 3.19Å; L747-A751 PolarHBondContact O-N 3.43Å; R748-A751 PolarHBondContact O-N 3.41Å; A751-N753 PolarHBondContact O-N 3.36Å; A751-R754 WeakPolarHBondContact O-CB 3.28Å; A751-R754 VanDerWaalsContact O-CG 3.28Å; A751-R754 WeakPolarHBondContact O-CG 3.25Å; A751-R754 PolarHBondContact O-N 3.07Å |
| 752 | G | 41.8 | Very low | 52.7 | Low | 75 Ų | 75 | 80 Ų | 80 | 77% | 0.773 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -16.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R748 | R748-G752 PolarHBondContact O-N 3.09Š|
| 753 | N | 39.3 | Very low | 50.4 | Low | 51 Ų | 51 | 79.5 Ų | 79.5 | 27% | 0.273 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 42.5 | 175.2 | -89.9 | -44.4 | 0 | 0 | 0 | 113.2 | A749 T750 A751 D755 V759 | A749-N753 PolarHBondContact O-ND2 3.3Å; T750-N753 CarbonylContact O-C 3.58Å; T750-N753 VanDerWaalsContact O-C 3.24Å; T750-N753 WeakPolarHBondContact O-CA 3.21Å; T750-N753 VanDerWaalsContact O-CB 3.27Å; T750-N753 WeakPolarHBondContact O-CB 3.28Å; T750-N753 PolarHBondContact O-N 3.14Å; A751-N753 PolarHBondContact O-N 3.36Å; N753-D755 PolarHBondContact O-N 3.44Å; N753-V759 WeakPolarHBondContact OD1-CB 3.2Å; N753-V759 VanDerWaalsContact OD1-CG1 3.23Å; N753-V759 WeakPolarHBondContact OD1-CG1 3.42Å; N753-V759 VanDerWaalsContact OD1-CG2 3.25Å; N753-V759 WeakPolarHBondContact OD1-CG2 3.28Å |
| 754 | R | 32.1 | Very low | 48.1 | Very low | 195 Ų | 195 | 78.3 Ų | 78.3 | 74% | 0.736 | 41% | 0.407 | S | S | * | . | trans | -67.6 | 44.8 | 179.8 | -100.8 | 174.6 | 179.7 | 169.1 | 6 | 115.8 | A751 | A751-R754 WeakPolarHBondContact O-CB 3.28Å; A751-R754 VanDerWaalsContact O-CG 3.28Å; A751-R754 WeakPolarHBondContact O-CG 3.25Å; A751-R754 PolarHBondContact O-N 3.07Å | ||
| 755 | D | 30.7 | Very low | 45.8 | Very low | 77 Ų | 77 | 79.4 Ų | 79.4 | 41% | 0.412 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -145.9 | 72.8 | 154.5 | -115.4 | -29.5 | 0 | 0 | 0 | 107.3 | K262 N263 N753 Y757 H758 | K262-D755 IonicContact NZ-OD2 2.73Å; K262-D755 PolarHBondContact NZ-OD2 3.35Å; K262-D755 VanDerWaalsContact NZ-OD2 3.17Å; N263-D755 PolarHBondContact ND2-OD1 3.39Å; N263-D755 PolarHBondContact ND2-OD2 3.05Å; N263-D755 VanDerWaalsContact ND2-OD2 3.14Å; N263-D755 PolarHBondContact OD1-OD2 2.82Å; N753-D755 PolarHBondContact O-N 3.44Å; D755-Y757 PolarHBondContact O-N 3.25Å; D755-H758 PolarHBondContact O-N 3.35Å |
| 756 | P | 30.4 | Very low | 43.6 | Very low | 99 Ų | 99 | 80.7 Ų | 80.7 | 64% | 0.643 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | 18.9 | -149 | 29.6 | -38.3 | 0 | 0 | 0 | 117.4 | ||
| 757 | Y | 29.1 | Very low | 41.7 | Very low | 214 Ų | 214 | 79.8 Ų | 79.8 | 84% | 0.839 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | -18.6 | 174 | -79 | -92.3 | 0 | 0 | 0 | 113.7 | D755 | D755-Y757 PolarHBondContact O-N 3.25Š|
| 758 | H | 32.1 | Very low | 39.4 | Very low | 48 Ų | 48 | 83.4 Ų | 83.4 | 22% | 0.222 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -31.5 | -168 | -139.3 | -83.4 | 0 | 0 | 0 | 114.6 | N263 D755 L762 | N263-H758 PolarHBondContact O-CD2 3.03Å; N263-H758 PolarHBondContact O-NE2 3.26Å; D755-H758 PolarHBondContact O-N 3.35Å; H758-L762 WeakPolarHBondContact O-CG 3.25Å; H758-L762 PolarHBondContact O-N 3.05Å; H758-L762 VanDerWaalsContact O-N 3.15Å |
| 759 | V | 37.2 | Very low | 37.3 | Very low | 46 Ų | 46 | 83.1 Ų | 83.1 | 28% | 0.279 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -88.6 | -26.3 | -176.7 | -172.2 | 0 | 0 | 0 | 0 | 112.9 | N753 M761 L762 N763 | N753-V759 WeakPolarHBondContact OD1-CB 3.2Å; N753-V759 VanDerWaalsContact OD1-CG1 3.23Å; N753-V759 WeakPolarHBondContact OD1-CG1 3.42Å; N753-V759 VanDerWaalsContact OD1-CG2 3.25Å; N753-V759 WeakPolarHBondContact OD1-CG2 3.28Å; V759-M761 VanDerWaalsContact C-N 3.31Å; V759-M761 PolarHBondContact O-N 3.21Å; V759-L762 PolarHBondContact O-N 3.3Å; V759-N763 WeakPolarHBondContact O-CB 2.89Å; V759-N763 PolarHBondContact O-N 2.89Å |
| 760 | S | 34.1 | Very low | 35.9 | Very low | 69 Ų | 69 | 81.8 Ų | 81.8 | 48% | 0.483 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59 | -44.6 | 162.9 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | L762 N763 S764 | S760-L762 PolarHBondContact O-N 3.02Å; S760-N763 PolarHBondContact O-N 3.24Å; S760-S764 WeakPolarHBondContact O-CB 3.25Å; S760-S764 PolarHBondContact O-N 2.57Å; S760-S764 PolarHBondContact O-OG 2.84Å |
| 761 | M | 32.2 | Very low | 34.3 | Very low | 38 Ų | 38 | 83.5 Ų | 83.5 | 19% | 0.187 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 174.8 | -171.3 | 172.1 | 70.2 | 0 | 0 | 112.3 | I140 V759 L765 | I140-M761 HydrophobicContact CG2-CG 4.42Å; V759-M761 VanDerWaalsContact C-N 3.31Å; V759-M761 PolarHBondContact O-N 3.21Å; M761-L765 HydrophobicContact CG-CD1 4.13Å; M761-L765 VanDerWaalsContact O-CB 3.31Å; M761-L765 WeakPolarHBondContact O-CB 3.47Å; M761-L765 WeakPolarHBondContact O-CD1 3.17Å; M761-L765 WeakPolarHBondContact O-CG 3.4Å; M761-L765 PolarHBondContact O-N 3.02Å |
| 762 | L | 33.6 | Very low | 33.1 | Very low | 77 Ų | 77 | 89.1 Ų | 89.1 | 40% | 0.403 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69.6 | -41.5 | 177.6 | -72.4 | 166.8 | 0 | 0 | 0 | 113.3 | H758 V759 S760 L765 R766 | H758-L762 WeakPolarHBondContact O-CG 3.25Å; H758-L762 PolarHBondContact O-N 3.05Å; H758-L762 VanDerWaalsContact O-N 3.15Å; V759-L762 PolarHBondContact O-N 3.3Å; S760-L762 PolarHBondContact O-N 3.02Å; L762-L765 PolarHBondContact O-N 3.47Å; L762-R766 PolarHBondContact O-N 3.49Å |
| 763 | N | 34.2 | Very low | 32.4 | Very low | 87 Ų | 87 | 96.2 Ų | 96.2 | 47% | 0.465 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -70.3 | -37.6 | 177.1 | -82.2 | -14.1 | 0 | 0 | 0 | 112.2 | V759 S760 R766 Q767 | V759-N763 WeakPolarHBondContact O-CB 2.89Å; V759-N763 PolarHBondContact O-N 2.89Å; S760-N763 PolarHBondContact O-N 3.24Å; N763-R766 VanDerWaalsContact O-CB 3.31Å; N763-R766 WeakPolarHBondContact O-CB 3.39Å; N763-R766 PolarHBondContact O-N 2.99Å; N763-Q767 WeakPolarHBondContact O-CB 3.49Å; N763-Q767 PolarHBondContact O-N 2.83Å |
| 764 | S | 32.4 | Very low | 31.8 | Very low | 17 Ų | 17 | 103 Ų | 103 | 12% | 0.119 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -66.3 | -37.2 | 170.6 | -63 | 0 | 0 | 0 | 0 | 112 | S760 R766 Q767 Y768 | S760-S764 WeakPolarHBondContact O-CB 3.25Å; S760-S764 PolarHBondContact O-N 2.57Å; S760-S764 PolarHBondContact O-OG 2.84Å; S764-R766 VanDerWaalsContact C-N 3.25Å; S764-R766 PolarHBondContact O-N 3.3Å; S764-Q767 PolarHBondContact O-N 2.72Å; S764-Y768 WeakPolarHBondContact O-CB 3.29Å; S764-Y768 VanDerWaalsContact O-CD2 3.29Å; S764-Y768 WeakPolarHBondContact O-CD2 3.38Å; S764-Y768 PolarHBondContact O-N 2.78Å |
| 765 | L | 33.3 | Very low | 31.4 | Very low | 23 Ų | 23 | 100.3 Ų | 100.3 | 12% | 0.12 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -62.5 | -32.2 | 171.3 | -79.6 | 166.5 | 0 | 0 | 0 | 112.6 | L144 M761 L762 M770 | L144-L765 HydrophobicContact CD1-CD2 3.76Å; L144-L765 HydrophobicContact CD1-CG 4.49Å; L144-L765 HydrophobicContact CD2-CD1 4.47Å; L144-L765 HydrophobicContact CD2-CD2 4.08Å; M761-L765 HydrophobicContact CG-CD1 4.13Å; M761-L765 VanDerWaalsContact O-CB 3.31Å; M761-L765 WeakPolarHBondContact O-CB 3.47Å; M761-L765 WeakPolarHBondContact O-CD1 3.17Å; M761-L765 WeakPolarHBondContact O-CG 3.4Å; M761-L765 PolarHBondContact O-N 3.02Å; L762-L765 PolarHBondContact O-N 3.47Å; L765-M770 HydrophobicContact CD2-CB 3.79Å; L765-M770 HydrophobicContact CD2-CG 4.17Å; L765-M770 HydrophobicContact CD2-SD 3.87Å; L765-M770 PolarHBondContact O-N 3.09Å; L765-M770 VanDerWaalsContact O-N 3.15Å |
| 766 | R | 34.9 | Very low | 31.3 | Very low | 165 Ų | 165 | 104.7 Ų | 104.7 | 62% | 0.623 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69 | -45 | 171.5 | -153.7 | 178.4 | -169.9 | -158.3 | 1.4 | 111.2 | L762 N763 S764 Y768 G769 T778 | L762-R766 PolarHBondContact O-N 3.49Å; N763-R766 VanDerWaalsContact O-CB 3.31Å; N763-R766 WeakPolarHBondContact O-CB 3.39Å; N763-R766 PolarHBondContact O-N 2.99Å; S764-R766 VanDerWaalsContact C-N 3.25Å; S764-R766 PolarHBondContact O-N 3.3Å; R766-Y768 PolarHBondContact O-N 2.79Å; R766-G769 PolarHBondContact O-N 2.94Å; R766-T778 PolarHBondContact NH2-OG1 2.83Å |
| 767 | Q | 36.5 | Very low | 31 | Very low | 152 Ų | 152 | 103 Ų | 103 | 71% | 0.71 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -69.5 | -30 | -178.8 | -162.6 | 171.7 | 19 | 0 | 0 | 113.5 | N763 S764 | N763-Q767 WeakPolarHBondContact O-CB 3.49Å; N763-Q767 PolarHBondContact O-N 2.83Å; S764-Q767 PolarHBondContact O-N 2.72Å |
| 768 | Y | 32.6 | Very low | 30.9 | Very low | 94 Ų | 94 | 98.5 Ų | 98.5 | 37% | 0.369 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 19.5 | 177.2 | -75.9 | -68.8 | 0 | 0 | 0 | 114.4 | R102 E137 S764 R766 M770 | R102-Y768 PolarHBondContact NH2-OH 2.93Å; E137-Y768 WeakPolarHBondContact OE1-CE2 3.48Å; E137-Y768 PolarHBondContact OE1-OH 3.14Å; E137-Y768 PolarHBondContact OE2-OH 3.12Å; S764-Y768 WeakPolarHBondContact O-CB 3.29Å; S764-Y768 VanDerWaalsContact O-CD2 3.29Å; S764-Y768 WeakPolarHBondContact O-CD2 3.38Å; S764-Y768 PolarHBondContact O-N 2.78Å; R766-Y768 PolarHBondContact O-N 2.79Å; Y768-M770 WeakPolarHBondContact O-CG 3.46Å; Y768-M770 PolarHBondContact O-N 3.28Å; Y768-M770 VanDerWaalsContact O-N 3.12Å |
| 769 | G | 28.6 | Very low | 30.6 | Very low | 42 Ų | 42 | 101.3 Ų | 101.3 | 43% | 0.433 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 20.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | R766 L771 | R766-G769 PolarHBondContact O-N 2.94Å; G769-L771 VanDerWaalsContact C-N 3.29Å; G769-L771 PolarHBondContact O-N 2.82Å |
| 770 | M | 34.9 | Very low | 30.1 | Very low | 33 Ų | 33 | 105.1 Ų | 105.1 | 16% | 0.163 | 55% | 0.553 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -81.1 | -3.1 | -165.6 | -73.7 | -142.2 | 159.1 | 0 | 0 | 115 | L105 R109 L144 L765 Y768 | L105-M770 HydrophobicContact CD2-CE 3.53Å; L105-M770 HydrophobicContact CD2-SD 4.49Å; L105-M770 HydrophobicContact CG-CE 3.95Å; R109-M770 PolarHBondContact NH2-O 3.46Å; R109-M770 PolarHBondContact NH2-SD 3.04Å; L144-M770 HydrophobicContact CD1-SD 4.47Å; L765-M770 HydrophobicContact CD2-CB 3.79Å; L765-M770 HydrophobicContact CD2-CG 4.17Å; L765-M770 HydrophobicContact CD2-SD 3.87Å; L765-M770 PolarHBondContact O-N 3.09Å; L765-M770 VanDerWaalsContact O-N 3.15Å; Y768-M770 WeakPolarHBondContact O-CG 3.46Å; Y768-M770 PolarHBondContact O-N 3.28Å; Y768-M770 VanDerWaalsContact O-N 3.12Å |
| 771 | L | 28.9 | Very low | 29.7 | Very low | 122 Ų | 122 | 109.9 Ų | 109.9 | 64% | 0.639 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.8 | 11.8 | -177.4 | -72.2 | 173.6 | 0 | 0 | 0 | 115 | G769 R773 | G769-L771 VanDerWaalsContact C-N 3.29Å; G769-L771 PolarHBondContact O-N 2.82Å; L771-R773 PolarHBondContact O-N 3.43Å |
| 772 | N | 26.7 | Very low | 29.4 | Very low | 148 Ų | 148 | 115.7 Ų | 115.7 | 79% | 0.791 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 49.7 | 177.2 | -73.3 | 21.5 | 0 | 0 | 0 | 113.4 | ||
| 773 | R | 27.5 | Very low | 29 | Very low | 224 Ų | 224 | 114.7 Ų | 114.7 | 85% | 0.845 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -156.1 | 39.5 | 164.9 | -127.7 | 177.9 | -163.3 | -163.3 | 4.6 | 114.7 | L771 | L771-R773 PolarHBondContact O-N 3.43Š|
| 774 | F | 25.5 | Very low | 28.7 | Very low | 194 Ų | 194 | 121 Ų | 121 | 85% | 0.851 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -140.6 | 108.7 | 148 | -96.8 | -73.9 | 0 | 0 | 0 | 108.1 | ||
| 775 | D | 25.2 | Very low | 28.4 | Very low | 137 Ų | 137 | 124.2 Ų | 124.2 | 73% | 0.733 | 64% | 0.637 | S | S | * | * | trans | -76.6 | 162.1 | -170.2 | -65.2 | -80.3 | 0 | 0 | 0 | 114.7 | ||||
| 776 | I | 26.8 | Very low | 28 | Very low | 170 Ų | 170 | 126.2 Ų | 126.2 | 87% | 0.872 | 65% | 0.653 | S | S | * | * | trans | 69.8 | 114.1 | 166.8 | -55.2 | 141 | 0 | 0 | 0 | 114.9 | ||||
| 777 | G | 24.9 | Very low | 27.6 | Very low | 64 Ų | 64 | 121.9 Ų | 121.9 | 66% | 0.66 | 65% | 0.652 | S | S | * | * | trans | 156.5 | -5.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 778 | T | 26.1 | Very low | 27.1 | Very low | 119 Ų | 119 | 119.7 Ų | 119.7 | 73% | 0.73 | 65% | 0.649 | S | S | * | * | trans | -127.6 | 83.3 | 179.8 | 66.7 | 0 | 0 | 0 | 0 | 114.2 | R766 | R766-T778 PolarHBondContact NH2-OG1 2.83Š| ||
| 779 | S | 26.1 | Very low | 26.8 | Very low | 107 Ų | 107 | 121 Ų | 121 | 75% | 0.748 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -161.6 | 150.3 | 154.7 | -162.1 | 0 | 0 | 0 | 0 | 109.9 | ||
| 780 | L | 26.6 | Very low | 26.7 | Very low | 126 Ų | 126 | 128.9 Ų | 128.9 | 66% | 0.66 | 68% | 0.679 | S | S | * | * | trans | 52.3 | 85.8 | 167.5 | -65.8 | 163.8 | 0 | 0 | 0 | 118.2 | ||||
| 781 | I | 26.2 | Very low | 26.3 | Very low | 169 Ų | 169 | 133 Ų | 133 | 87% | 0.867 | 71% | 0.706 | S | S | * | * | S | Bend | -158.2 | 87.6 | 110.9 | -47.4 | -173.4 | 0 | 0 | 0 | 103.9 | |||
| 782 | L | 25.6 | Very low | 26.1 | Very low | 160 Ų | 160 | 134.4 Ų | 134.4 | 84% | 0.838 | 72% | 0.719 | S | S | * | * | S | Bend | -71.2 | 152.4 | 64.4 | -73.2 | 66.7 | 0 | 0 | 0 | 116.8 | |||
| 783 | G | 25.9 | Very low | 26 | Very low | 56 Ų | 56 | 133 Ų | 133 | 58% | 0.577 | 71% | 0.711 | S | S | * | * | trans | 90.6 | 150.2 | 160.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 784 | R | 28.5 | Very low | 25.9 | Very low | 220 Ų | 220 | 132.6 Ų | 132.6 | 83% | 0.83 | 71% | 0.71 | S | S | * | * | trans | 78.4 | 104.3 | 170.9 | -63.5 | -170.3 | 178.2 | -167.6 | -3.8 | 115.3 | ||||
| 785 | R | 24.5 | Very low | 26 | Very low | 83 Ų | 83 | 135.5 Ų | 135.5 | 31% | 0.313 | 72% | 0.715 | S | S | . | * | cis | 58.6 | 101 | 22.7 | -120.2 | -156.6 | 162.9 | -108.5 | 25.5 | 110.1 | E487 E488 | E487-R785 HydrophobicContact CB-CG 3.79Å; E487-R785 HydrophobicContact CG-CG 4.12Å; E487-R785 PolarHBondContact O-NH1 2.67Å; E487-R785 PolarHBondContact O-NH2 3.4Å; E487-R785 WeakPolarHBondContact OE2-CA 3.38Å; E487-R785 WeakPolarHBondContact OE2-CB 3.49Å; E487-R785 VanDerWaalsContact OE2-CD 3.26Å; E487-R785 WeakPolarHBondContact OE2-CD 3.49Å; E487-R785 WeakPolarHBondContact OE2-CG 3.36Å; E487-R785 IonicContact OE2-CZ 3.17Å; E487-R785 IonicContact OE2-NE 2.66Å; E487-R785 IonicContact OE2-NH1 3.35Å; E487-R785 PolarHBondContact OE2-NH1 3.47Å; E488-R785 IonicContact OE1-CZ 3.2Å; E488-R785 IonicContact OE1-NE 3.58Å; E488-R785 PolarHBondContact OE1-NE 3.36Å; E488-R785 IonicContact OE1-NH2 3.01Å; E488-R785 PolarHBondContact OE1-NH2 3.01Å; E488-R785 IonicContact OE2-CZ 2.73Å; E488-R785 IonicContact OE2-NH2 2.79Å; E488-R785 PolarHBondContact OE2-NH2 2.85Å | ||
| 786 | S | 26.3 | Very low | 26.2 | Very low | 66 Ų | 66 | 136.7 Ų | 136.7 | 46% | 0.462 | 72% | 0.716 | S | S | . | * | trans | 57.6 | 161.4 | -162.6 | -97.7 | 0 | 0 | 0 | 0 | 117.4 | E487 | E487-S786 VanDerWaalsContact CD-N 3.34Å; E487-S786 WeakPolarHBondContact OE1-CB 3.45Å; E487-S786 PolarHBondContact OE1-OG 3.09Å; E487-S786 PolarHBondContact OE2-N 3.27Å | ||
| 787 | A | 25.9 | Very low | 26.3 | Very low | 73 Ų | 73 | 132.1 Ų | 132.1 | 60% | 0.603 | 71% | 0.711 | S | S | * | * | cis | 172.1 | 175.5 | -31.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 788 | T | 25.9 | Very low | 26.6 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 65% | 0.65 | 72% | 0.717 | S | S | * | * | trans | -1.1 | 118.9 | 157.7 | 6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 789 | L | 26.6 | Very low | 26.6 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 63% | 0.634 | 72% | 0.72 | S | S | * | * | cis | -165.6 | 146 | 47.2 | -89.3 | 166.3 | 0 | 0 | 0 | 115 | ||||
| 790 | R | 25.6 | Very low | 26.5 | Very low | 209 Ų | 209 | 140.6 Ų | 140.6 | 79% | 0.789 | 73% | 0.728 | S | S | * | * | trans | 11.1 | 123.4 | 133.6 | -49.6 | 170.9 | -165 | 136.5 | 2.7 | 116 | ||||
| 791 | T | 26.3 | Very low | 26.3 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 73% | 0.73 | 74% | 0.736 | S | S | * | * | -161.1 | 113.1 | 81.4 | 20.9 | 0 | 0 | 0 | 0 | 114.9 | L793 | T791-L793 PolarHBondContact O-N 2.92Å; T791-L793 VanDerWaalsContact O-N 3.08Å | |||
| 792 | T | 25.9 | Very low | 26.3 | Very low | 151 Ų | 151 | 137.8 Ų | 137.8 | 93% | 0.926 | 73% | 0.734 | S | S | * | * | trans | -72 | 91 | 161 | 36.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 793 | L | 24.8 | Very low | 26.3 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 62% | 0.623 | 72% | 0.721 | S | S | * | * | trans | -122.7 | 69.3 | -173.1 | -134.7 | 172.6 | 0 | 0 | 0 | 115.2 | T791 | T791-L793 PolarHBondContact O-N 2.92Å; T791-L793 VanDerWaalsContact O-N 3.08Å | ||
| 794 | R | 24.9 | Very low | 26.3 | Very low | 215 Ų | 215 | 139.7 Ų | 139.7 | 81% | 0.811 | 73% | 0.731 | S | S | * | * | -167.3 | 95.8 | 126.2 | -106.4 | 160.2 | 179.6 | 178.6 | 1.9 | 114.7 | |||||
| 795 | R | 28.2 | Very low | 26.3 | Very low | 255 Ų | 255 | 137.6 Ų | 137.6 | 96% | 0.962 | 72% | 0.723 | S | S | * | * | trans | -137.5 | 68.3 | 143.1 | -128.7 | -178 | -171.4 | -151.7 | 2 | 110.9 | G797 | R795-G797 PolarHBondContact O-N 2.64Å; R795-G797 VanDerWaalsContact O-N 3.09Å | ||
| 796 | Q | 29.9 | Very low | 26.4 | Very low | 162 Ų | 162 | 143.1 Ų | 143.1 | 76% | 0.757 | 74% | 0.744 | S | S | * | * | trans | -66.8 | 106 | 176.7 | -79.5 | -178.3 | -31.7 | 0 | 0 | 111.2 | ||||
| 797 | G | 27.7 | Very low | 26.6 | Very low | 74 Ų | 74 | 146.2 Ų | 146.2 | 76% | 0.763 | 76% | 0.76 | S | S | * | * | trans | -122.6 | 75.5 | 158.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | R795 | R795-G797 PolarHBondContact O-N 2.64Å; R795-G797 VanDerWaalsContact O-N 3.09Å | ||
| 798 | A | 30.5 | Very low | 26.8 | Very low | 94 Ų | 94 | 146.1 Ų | 146.1 | 78% | 0.777 | 77% | 0.766 | S | S | * | * | 81.7 | 61.1 | 86.5 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 799 | V | 26.6 | Very low | 26.9 | Very low | 132 Ų | 132 | 147.5 Ų | 147.5 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -128.6 | 120.4 | 145 | 175.1 | 0 | 0 | 0 | 0 | 107.1 | ||
| 800 | R | 23.3 | Very low | 26.9 | Very low | 242 Ų | 242 | 146 Ų | 146 | 91% | 0.913 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 58.7 | 105.7 | -170 | -57.3 | 176.6 | -180 | -167.4 | -0.3 | 112.5 | ||
| 801 | S | 24.2 | Very low | 27.1 | Very low | 118 Ų | 118 | 143 Ų | 143 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | S | Bend | cis | -142.8 | -175.3 | 22.4 | -163.2 | 0 | 0 | 0 | 0 | 112.4 | ||
| 802 | S | 25 | Very low | 27.1 | Very low | 119 Ų | 119 | 145.5 Ų | 145.5 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -40 | 130.5 | -179.5 | -170 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 803 | G | 26.5 | Very low | 27.2 | Very low | 54 Ų | 54 | 144.9 Ų | 144.9 | 56% | 0.557 | 76% | 0.764 | S | S | * | * | cis | 128.2 | 146.9 | -0.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 804 | Y | 26.3 | Very low | 27.4 | Very low | 201 Ų | 201 | 145.3 Ų | 145.3 | 79% | 0.788 | 77% | 0.767 | S | S | * | * | trans | 67.3 | 152.4 | -179 | -68.8 | -140.7 | 0 | 0 | 0 | 113.2 | ||||
| 805 | R | 27.4 | Very low | 27.6 | Very low | 176 Ų | 176 | 139.6 Ų | 139.6 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | cis | -151.9 | 141.6 | -21.2 | -106.8 | 179.1 | -168.3 | -175.6 | 5.6 | 105 | ||||
| 806 | R | 27.2 | Very low | 28 | Very low | 200 Ų | 200 | 133.3 Ų | 133.3 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | 65.7 | 145.6 | 79.3 | -151.1 | -167 | -158.8 | -173.8 | 8 | 112.8 | |||||
| 807 | T | 30.7 | Very low | 28.3 | Very low | 131 Ų | 131 | 130.9 Ų | 130.9 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | 61.7 | 127.5 | 174.4 | 55.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 808 | G | 28.9 | Very low | 28.5 | Very low | 70 Ų | 70 | 133.4 Ų | 133.4 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | cis | 87.6 | 129.9 | -8.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 809 | T | 28.2 | Very low | 28.6 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | trans | -143.2 | 124 | 169.3 | 29.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 810 | S | 27.8 | Very low | 28.9 | Very low | 88 Ų | 88 | 137.7 Ų | 137.7 | 62% | 0.615 | 75% | 0.746 | S | S | * | * | 74.9 | 136.4 | 72.5 | -151.6 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 811 | I | 28.8 | Very low | 29.3 | Very low | 148 Ų | 148 | 133 Ų | 133 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | cis | -146.5 | 127.3 | 43.8 | -73.1 | 170.3 | 0 | 0 | 0 | 107.4 | ||||
| 812 | F | 26.3 | Very low | 29.5 | Very low | 170 Ų | 170 | 136.6 Ų | 136.6 | 75% | 0.746 | 74% | 0.735 | S | S | * | * | 53.5 | 133.6 | 94.8 | -82 | -80.2 | 0 | 0 | 0 | 113.4 | |||||
| 813 | L | 27.9 | Very low | 29.7 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 73% | 0.728 | 74% | 0.735 | S | S | * | * | cis | -142.4 | -169.1 | 10.4 | -69.4 | 118.3 | 0 | 0 | 0 | 108.1 | ||||
| 814 | D | 29.5 | Very low | 30 | Very low | 128 Ų | 128 | 140.8 Ų | 140.8 | 68% | 0.684 | 75% | 0.747 | S | S | * | * | cis | -155.2 | 163.1 | -6 | -116.6 | -14.7 | 0 | 0 | 0 | 105.8 | ||||
| 815 | S | 29.7 | Very low | 30.1 | Very low | 95 Ų | 95 | 136.9 Ų | 136.9 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | cis | 87.1 | 137.7 | 42.4 | -52.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 816 | P | 35.4 | Very low | 30.3 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | cis | -136.6 | -143.7 | -23.9 | 48.3 | -29.5 | 0 | 0 | 0 | 111.3 | ||||
| 817 | P | 36.5 | Very low | 30.6 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 72% | 0.721 | 75% | 0.751 | S | S | * | * | trans | -131.6 | -124.9 | -140.1 | 39.2 | -11.6 | 0 | 0 | 0 | 114.6 | ||||
| 818 | N | 31.7 | Very low | 30.6 | Very low | 127 Ų | 127 | 127.5 Ų | 127.5 | 68% | 0.679 | 74% | 0.742 | S | S | * | * | trans | 81.5 | 136.7 | -176.4 | -67.6 | 61.8 | 0 | 0 | 0 | 115.1 | ||||
| 819 | D | 32.8 | Very low | 30.7 | Very low | 134 Ų | 134 | 129.9 Ų | 129.9 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | cis | -146.8 | -171.3 | -13.6 | -81.4 | -38.5 | 0 | 0 | 0 | 106.4 | ||||
| 820 | E | 32.7 | Very low | 30.6 | Very low | 182 Ų | 182 | 133.7 Ų | 133.7 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | cis | -154.3 | -152.7 | 14.3 | -154 | 175.7 | -133.8 | 0 | 0 | 109.9 | ||||
| 821 | D | 31.5 | Very low | 30.4 | Very low | 142 Ų | 142 | 136.7 Ų | 136.7 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | -82.1 | 175.1 | -174.8 | -80.5 | -36.3 | 0 | 0 | 0 | 115.3 | ||||
| 822 | Y | 28.4 | Very low | 30.4 | Very low | 195 Ų | 195 | 134.1 Ų | 134.1 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | cis | 165.2 | 112 | -27.4 | -155 | -79.3 | 0 | 0 | 0 | 106.4 | ||||
| 823 | T | 30.5 | Very low | 30.3 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | trans | 157.3 | 135 | 146.3 | 38.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 824 | P | 32.4 | Very low | 30 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | trans | -113.7 | 133.9 | -174.8 | 37.9 | -28.8 | 0 | 0 | 0 | 115.1 | ||||
| 825 | S | 27.7 | Very low | 29.9 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 84% | 0.839 | 76% | 0.758 | S | S | * | * | trans | -159.2 | 70.9 | 167.9 | 65.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 826 | S | 32.5 | Very low | 29.7 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | -172 | 141.7 | 155 | 42.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 827 | P | 34 | Very low | 29.7 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 131.1 | 167.5 | 29.6 | -31.9 | 0 | 0 | 0 | 110.6 | ||
| 828 | P | 30.3 | Very low | 30.5 | Very low | 96 Ų | 96 | 136.8 Ų | 136.8 | 62% | 0.623 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 157.9 | -178 | 30.5 | -35.3 | 0 | 0 | 0 | 113 | ||
| 829 | P | 30.5 | Very low | 31.8 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 149 | -171.9 | 28.3 | -36.2 | 0 | 0 | 0 | 113.9 | L831 | P829-L831 PolarHBondContact O-N 3.14Å; P829-L831 VanDerWaalsContact O-N 3.13Å |
| 830 | R | 26 | Very low | 33.5 | Very low | 217 Ų | 217 | 129.5 Ų | 129.5 | 82% | 0.819 | 72% | 0.722 | S | S | * | * | trans | -66.3 | 106.7 | 173.1 | -72 | -178 | 176.5 | 167.7 | 0.2 | 110.7 | A832 | R830-A832 PolarHBondContact O-N 3.29Š| ||
| 831 | L | 24.7 | Very low | 35.5 | Very low | 151 Ų | 151 | 121 Ų | 121 | 79% | 0.791 | 68% | 0.683 | S | S | * | * | trans | -70.4 | 89.9 | 167.7 | -81.3 | 164.2 | 0 | 0 | 0 | 110.6 | P829 F833 | P829-L831 PolarHBondContact O-N 3.14Å; P829-L831 VanDerWaalsContact O-N 3.13Å; L831-F833 PolarHBondContact O-N 2.97Å | ||
| 832 | A | 27 | Very low | 37.7 | Very low | 94 Ų | 94 | 117.1 Ų | 117.1 | 78% | 0.777 | 66% | 0.662 | S | S | * | * | trans | -74 | 111.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | R830 G834 | R830-A832 PolarHBondContact O-N 3.29Å; A832-G834 PolarHBondContact O-N 3.14Å | ||
| 833 | F | 24.4 | Very low | 40 | Very low | 185 Ų | 185 | 114 Ų | 114 | 81% | 0.811 | 65% | 0.652 | S | S | * | * | trans | -67.4 | 94.1 | -179.9 | -98.9 | -98.4 | 0 | 0 | 0 | 111.2 | L831 I835 | L831-F833 PolarHBondContact O-N 2.97Å; F833-I835 VanDerWaalsContact C-N 3.33Å; F833-I835 PolarHBondContact O-N 3.1Å | ||
| 834 | G | 23.1 | Very low | 42.3 | Very low | 71 Ų | 71 | 114.4 Ų | 114.4 | 73% | 0.732 | 65% | 0.645 | S | S | * | * | trans | -75.8 | 74.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A832 R836 | A832-G834 PolarHBondContact O-N 3.14Å; G834-R836 PolarHBondContact O-N 3.37Å | ||
| 835 | I | 27.6 | Very low | 44.5 | Very low | 141 Ų | 141 | 108.5 Ų | 108.5 | 72% | 0.723 | 61% | 0.607 | S | S | * | * | trans | -65 | 103.7 | 161.1 | -58.5 | 179.3 | 0 | 0 | 0 | 107.1 | F833 C837 | F833-I835 VanDerWaalsContact C-N 3.33Å; F833-I835 PolarHBondContact O-N 3.1Å; I835-C837 VanDerWaalsContact C-N 3.26Å; I835-C837 PolarHBondContact O-N 3.46Å | ||
| 836 | R | 24.2 | Very low | 47.2 | Very low | 242 Ų | 242 | 102.9 Ų | 102.9 | 91% | 0.913 | 57% | 0.567 | S | S | * | * | trans | -71 | 82 | 174 | -75 | -174.8 | 175.3 | 174.8 | 0.2 | 109.8 | G834 S838 | G834-R836 PolarHBondContact O-N 3.37Å; R836-S838 PolarHBondContact O-N 3.39Å | ||
| 837 | C | 36.6 | Very low | 49.4 | Very low | 90 Ų | 90 | 100.4 Ų | 100.4 | 61% | 0.608 | 55% | 0.55 | S | S | * | . | trans | -60.2 | 108 | 165.5 | -65.8 | 0 | 0 | 0 | 0 | 108.8 | I835 | I835-C837 VanDerWaalsContact C-N 3.26Å; I835-C837 PolarHBondContact O-N 3.46Å | ||
| 838 | S | 51.5 | Low | 51.6 | Low | 93 Ų | 93 | 95.4 Ų | 95.4 | 65% | 0.65 | 52% | 0.517 | S | S | * | . | trans | -66.3 | 144.6 | 171 | 53.2 | 0 | 0 | 0 | 0 | 110.2 | R836 L840 | R836-S838 PolarHBondContact O-N 3.39Å; S838-L840 PolarHBondContact O-N 2.92Å | ||
| 839 | P | 60.6 | Low | 54.1 | Low | 75 Ų | 75 | 90.8 Ų | 90.8 | 49% | 0.487 | 49% | 0.488 | S | S | . | . | trans | -56.3 | 132.4 | 175 | 24.6 | -34.7 | 0 | 0 | 0 | 110.6 | L841 | P839-L841 VanDerWaalsContact C-N 3.28Å; P839-L841 PolarHBondContact O-N 3.34Å | ||
| 840 | L | 67.2 | Low | 56.5 | Low | 32 Ų | 32 | 85.5 Ų | 85.5 | 17% | 0.168 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -74.1 | -20.2 | -173.6 | -84.8 | 148 | 0 | 0 | 0 | 114.4 | Q295 L300 V335 L336 S838 | Q295-L840 HydrophobicContact CG-CD2 4.1Å; L300-L840 HydrophobicContact CD2-CB 4.2Å; L300-L840 HydrophobicContact CD2-CD2 4.37Å; V335-L840 HydrophobicContact CB-CD1 4.21Å; V335-L840 HydrophobicContact CG1-CD1 3.42Å; V335-L840 VanDerWaalsContact CG1-CD1 3.42Å; V335-L840 HydrophobicContact CG1-CD2 3.74Å; V335-L840 HydrophobicContact CG1-CG 4.15Å; L336-L840 HydrophobicContact CD1-CD1 3.67Å; L336-L840 HydrophobicContact CD2-CD1 3.64Å; L336-L840 HydrophobicContact CG-CD1 3.65Å; S838-L840 PolarHBondContact O-N 2.92Å |
| 841 | L | 74.8 | Confident | 59.1 | Low | 4 Ų | 4 | 77.7 Ų | 77.7 | 2% | 0.021 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -131 | 142.2 | 173.7 | -68.6 | 174.5 | 0 | 0 | 0 | 107.3 | L300 A304 M328 P839 L846 L849 L872 | L300-L841 HydrophobicContact CD2-CD2 4.37Å; L300-L841 HydrophobicContact CD2-CG 4.42Å; L300-L841 HydrophobicContact CG-CD2 4.06Å; A304-L841 HydrophobicContact CB-CD1 4.3Å; A304-L841 HydrophobicContact CB-CD2 3.6Å; M328-L841 HydrophobicContact CE-CD1 4.13Å; P839-L841 VanDerWaalsContact C-N 3.28Å; P839-L841 PolarHBondContact O-N 3.34Å; L841-L846 HydrophobicContact CB-CD2 3.93Å; L841-L846 HydrophobicContact CB-CG 3.86Å; L841-L846 HydrophobicContact CD1-CD2 3.77Å; L841-L846 HydrophobicContact CG-CD2 4.5Å; L841-L849 HydrophobicContact CD1-CD1 3.94Å; L841-L872 HydrophobicContact CD1-CD1 3.79Å; L841-L872 HydrophobicContact CD1-CD2 3.96Å; L841-L872 HydrophobicContact CG-CD2 4.44Å |
| 842 | D | 77.4 | Confident | 61.6 | Low | 60 Ų | 60 | 70.8 Ų | 70.8 | 32% | 0.321 | 39% | 0.393 | S | S | . | . | trans | -74.5 | 164.1 | 167.4 | 46.2 | 46.1 | 0 | 0 | 0 | 110.9 | E844 S845 L846 | D842-E844 PolarHBondContact O-N 2.95Å; D842-S845 PolarHBondContact O-N 3.49Å; D842-S845 WeakPolarHBondContact OD1-CB 3.49Å; D842-S845 PolarHBondContact OD1-N 3.46Å; D842-S845 PolarHBondContact OD1-OG 2.92Å; D842-L846 WeakPolarHBondContact O-CG 3.25Å; D842-L846 PolarHBondContact O-N 3.36Å | ||
| 843 | K | 78.1 | Confident | 63.8 | Low | 129 Ų | 129 | 66.9 Ų | 66.9 | 56% | 0.561 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63.6 | -21.7 | -178.7 | -65.2 | 178.9 | 174 | -177.1 | 0 | 112.6 | S847 W881 | K843-S847 WeakPolarHBondContact O-CB 3.3Å; K843-S847 PolarHBondContact O-N 3.44Å; K843-S847 VanDerWaalsContact O-N 3.16Å; K843-S847 PolarHBondContact O-OG 2.95Å; K843-W881 HydrophobicContact CB-CH2 4.41Å; K843-W881 HydrophobicContact CB-CZ2 3.97Å; K843-W881 HydrophobicContact CD-CD2 4.26Å; K843-W881 HydrophobicContact CD-CG 4.15Å; K843-W881 HydrophobicContact CG-CD2 4.03Å; K843-W881 HydrophobicContact CG-CG 4.33Å; K843-W881 HydrophobicContact CG-CZ2 4.29Å |
| 844 | E | 77.5 | Confident | 65.9 | Low | 146 Ų | 146 | 60.5 Ų | 60.5 | 68% | 0.682 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -70 | -58.3 | 173 | -165.8 | 161.5 | -172.4 | 0 | 0 | 109.4 | D842 L846 S847 C848 | D842-E844 PolarHBondContact O-N 2.95Å; E844-L846 VanDerWaalsContact C-N 3.29Å; E844-L846 PolarHBondContact O-N 2.83Å; E844-S847 WeakPolarHBondContact O-CA 3.4Å; E844-S847 VanDerWaalsContact O-CB 3.25Å; E844-S847 WeakPolarHBondContact O-CB 3.1Å; E844-S847 PolarHBondContact O-N 3.09Å; E844-C848 PolarHBondContact O-N 3.01Å; E844-C848 PolarHBondContact O-SG 3.32Å |
| 845 | S | 79.7 | Confident | 68 | Low | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -54.9 | -38.7 | 175.4 | -57.7 | 0 | 0 | 0 | 0 | 114 | T301 N305 D842 S847 C848 L849 | T301-S845 WeakPolarHBondContact CG2-OG 3.47Å; N305-S845 PolarHBondContact ND2-OG 1.86Å; N305-S845 WeakPolarHBondContact OD1-CA 3.38Å; N305-S845 PolarHBondContact OD1-OG 2.85Å; D842-S845 PolarHBondContact O-N 3.49Å; D842-S845 WeakPolarHBondContact OD1-CB 3.49Å; D842-S845 PolarHBondContact OD1-N 3.46Å; D842-S845 PolarHBondContact OD1-OG 2.92Å; S845-S847 VanDerWaalsContact C-N 3.34Å; S845-C848 WeakPolarHBondContact O-CB 3.47Å; S845-C848 PolarHBondContact O-N 3.39Å; S845-L849 PolarHBondContact O-N 3.4Å |
| 846 | L | 83.4 | Confident | 69.4 | Low | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.6 | -35.7 | 173.9 | -68.8 | 171.1 | 0 | 0 | 0 | 112 | L841 D842 E844 C848 L849 I850 L872 T878 W881 | L841-L846 HydrophobicContact CB-CD2 3.93Å; L841-L846 HydrophobicContact CB-CG 3.86Å; L841-L846 HydrophobicContact CD1-CD2 3.77Å; L841-L846 HydrophobicContact CG-CD2 4.5Å; D842-L846 WeakPolarHBondContact O-CG 3.25Å; D842-L846 PolarHBondContact O-N 3.36Å; E844-L846 VanDerWaalsContact C-N 3.29Å; E844-L846 PolarHBondContact O-N 2.83Å; L846-C848 VanDerWaalsContact C-N 3.33Å; L846-L849 PolarHBondContact O-N 2.84Å; L846-I850 VanDerWaalsContact O-CG1 3.32Å; L846-I850 WeakPolarHBondContact O-CG1 3.47Å; L846-I850 PolarHBondContact O-N 3.04Å; L846-I850 VanDerWaalsContact O-N 3.11Å; L846-L872 HydrophobicContact CD2-CD1 3.99Å; L846-T878 HydrophobicContact CD1-CG2 3.96Å; L846-T878 HydrophobicContact CD2-CG2 4.4Å; L846-W881 HydrophobicContact CB-CE3 4.36Å; L846-W881 HydrophobicContact CB-CH2 4.05Å; L846-W881 HydrophobicContact CB-CZ3 3.51Å; L846-W881 HydrophobicContact CD1-CE3 3.83Å; L846-W881 HydrophobicContact CD1-CZ3 3.84Å; L846-W881 HydrophobicContact CG-CZ3 4.32Å |
| 847 | S | 79.4 | Confident | 71.2 | Confident | 54 Ų | 54 | 47.7 Ų | 47.7 | 38% | 0.378 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.8 | -36.7 | 174.3 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | K843 E844 S845 L849 I850 V851 | K843-S847 WeakPolarHBondContact O-CB 3.3Å; K843-S847 PolarHBondContact O-N 3.44Å; K843-S847 VanDerWaalsContact O-N 3.16Å; K843-S847 PolarHBondContact O-OG 2.95Å; E844-S847 WeakPolarHBondContact O-CA 3.4Å; E844-S847 VanDerWaalsContact O-CB 3.25Å; E844-S847 WeakPolarHBondContact O-CB 3.1Å; E844-S847 PolarHBondContact O-N 3.09Å; S845-S847 VanDerWaalsContact C-N 3.34Å; S847-L849 VanDerWaalsContact C-N 3.3Å; S847-L849 PolarHBondContact O-N 3.42Å; S847-I850 PolarHBondContact O-N 3.37Å; S847-I850 VanDerWaalsContact O-N 3.11Å; S847-V851 PolarHBondContact O-N 3.18Å; S847-V851 VanDerWaalsContact O-N 3.08Å |
| 848 | C | 80.5 | Confident | 72.4 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.014 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.8 | -41.8 | 173.8 | -47.4 | 0 | 0 | 0 | 0 | 112.1 | A304 N305 H308 E844 S845 L846 V851 | A304-C848 WeakPolarHBondContact O-CB 3.41Å; N305-C848 PolarHBondContact OD1-SG 3.21Å; H308-C848 PolarHBondContact CD2-SG 2.98Å; H308-C848 PolarHBondContact NE2-SG 3.19Å; E844-C848 PolarHBondContact O-N 3.01Å; E844-C848 PolarHBondContact O-SG 3.32Å; S845-C848 WeakPolarHBondContact O-CB 3.47Å; S845-C848 PolarHBondContact O-N 3.39Å; L846-C848 VanDerWaalsContact C-N 3.33Å; C848-V851 PolarHBondContact O-N 3.39Å |
| 849 | L | 83 | Confident | 73.3 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.8 | -33.4 | 175.5 | -63.4 | 175.5 | 0 | 0 | 0 | 112.5 | L325 M328 L841 S845 L846 S847 V851 L852 L865 L868 F869 L872 | L325-L849 HydrophobicContact CD2-CD2 4.37Å; M328-L849 HydrophobicContact CE-CD1 4.08Å; M328-L849 HydrophobicContact CE-CD2 4.32Å; M328-L849 HydrophobicContact SD-CD2 4.32Å; L841-L849 HydrophobicContact CD1-CD1 3.94Å; S845-L849 PolarHBondContact O-N 3.4Å; L846-L849 PolarHBondContact O-N 2.84Å; S847-L849 VanDerWaalsContact C-N 3.3Å; S847-L849 PolarHBondContact O-N 3.42Å; L849-V851 VanDerWaalsContact C-N 3.32Å; L849-V851 PolarHBondContact O-N 2.84Å; L849-L852 HydrophobicContact CD2-CD1 4.18Å; L849-L852 WeakPolarHBondContact O-CB 3.34Å; L849-L852 PolarHBondContact O-N 2.96Å; L849-L865 HydrophobicContact CB-CD1 4.45Å; L849-L868 HydrophobicContact CD1-CD2 4.05Å; L849-L868 HydrophobicContact CD2-CD2 4.39Å; L849-F869 HydrophobicContact CB-CE1 4.18Å; L849-F869 HydrophobicContact CB-CZ 3.67Å; L849-L872 HydrophobicContact CD1-CD1 4.37Å |
| 850 | I | 80.9 | Confident | 74.1 | Confident | 8 Ų | 8 | 48.3 Ų | 48.3 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.7 | -32.4 | 177 | -67.5 | 169.7 | 0 | 0 | 0 | 111.4 | L846 S847 L852 F853 F854 F869 W881 L882 T885 F886 I889 | L846-I850 VanDerWaalsContact O-CG1 3.32Å; L846-I850 WeakPolarHBondContact O-CG1 3.47Å; L846-I850 PolarHBondContact O-N 3.04Å; L846-I850 VanDerWaalsContact O-N 3.11Å; S847-I850 PolarHBondContact O-N 3.37Å; S847-I850 VanDerWaalsContact O-N 3.11Å; I850-L852 PolarHBondContact O-N 3.1Å; I850-F853 PolarHBondContact O-N 3.38Å; I850-F853 VanDerWaalsContact O-N 3.15Å; I850-F854 HydrophobicContact CG2-CE2 4.21Å; I850-F854 WeakPolarHBondContact O-CD2 3.35Å; I850-F869 HydrophobicContact CG1-CE1 4.33Å; I850-F869 HydrophobicContact CG1-CZ 3.9Å; I850-W881 HydrophobicContact CD1-CH2 4.18Å; I850-W881 HydrophobicContact CD1-CZ3 4.14Å; I850-L882 HydrophobicContact CD1-CD2 3.98Å; I850-T885 HydrophobicContact CD1-CG2 3.85Å; I850-F886 HydrophobicContact CD1-CE1 4.2Å; I850-F886 HydrophobicContact CG1-CE1 4.04Å; I850-I889 HydrophobicContact CG2-CD1 4.14Å |
| 851 | V | 79.1 | Confident | 74.6 | Confident | 53 Ų | 53 | 49.8 Ų | 49.8 | 32% | 0.321 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -57.8 | -29.5 | 173.9 | 173.1 | 0 | 0 | 0 | 0 | 111.9 | L312 S847 C848 L849 F853 F854 | L312-V851 HydrophobicContact CD1-CG1 4.45Å; S847-V851 PolarHBondContact O-N 3.18Å; S847-V851 VanDerWaalsContact O-N 3.08Å; C848-V851 PolarHBondContact O-N 3.39Å; L849-V851 VanDerWaalsContact C-N 3.32Å; L849-V851 PolarHBondContact O-N 2.84Å; V851-F853 PolarHBondContact O-N 3.36Å; V851-F854 WeakPolarHBondContact O-CB 3.43Å; V851-F854 PolarHBondContact O-N 3.2Å |
| 852 | L | 77.6 | Confident | 74.7 | Confident | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -63 | -26.8 | 179 | -60.5 | 175.6 | 0 | 0 | 0 | 113.4 | P307 L312 M321 L325 L849 I850 F854 C855 L860 L865 | P307-L852 HydrophobicContact CB-CD2 4.38Å; P307-L852 HydrophobicContact CG-CD2 4.19Å; L312-L852 HydrophobicContact CD2-CD2 4.46Å; M321-L852 HydrophobicContact CE-CD1 4.12Å; L325-L852 HydrophobicContact CD2-CD1 4.34Å; L849-L852 HydrophobicContact CD2-CD1 4.18Å; L849-L852 WeakPolarHBondContact O-CB 3.34Å; L849-L852 PolarHBondContact O-N 2.96Å; I850-L852 PolarHBondContact O-N 3.1Å; L852-F854 PolarHBondContact O-N 3.04Å; L852-C855 WeakPolarHBondContact O-CB 3.39Å; L852-C855 PolarHBondContact O-N 3.37Å; L852-L860 HydrophobicContact CB-CD2 4.23Å; L852-L865 HydrophobicContact CB-CD2 3.92Å; L852-L865 HydrophobicContact CD1-CD1 4.33Å |
| 853 | F | 73.7 | Confident | 74.7 | Confident | 12 Ų | 12 | 51.9 Ų | 51.9 | 5% | 0.053 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -68.9 | -18.5 | 173 | -73.8 | -59.5 | 0 | 0 | 0 | 113.5 | I850 V851 L865 H866 F869 F886 L940 E943 S947 | I850-F853 PolarHBondContact O-N 3.38Å; I850-F853 VanDerWaalsContact O-N 3.15Å; V851-F853 PolarHBondContact O-N 3.36Å; F853-L865 HydrophobicContact CD1-CD2 3.95Å; F853-L865 HydrophobicContact CD2-CD2 4.26Å; F853-L865 HydrophobicContact CE1-CD2 3.75Å; F853-L865 HydrophobicContact CE1-CG 4.31Å; F853-L865 HydrophobicContact CE2-CD2 4.1Å; F853-L865 HydrophobicContact CE2-CG 4.45Å; F853-L865 HydrophobicContact CG-CD2 4.19Å; F853-L865 HydrophobicContact CZ-CD2 3.83Å; F853-L865 HydrophobicContact CZ-CG 4.04Å; F853-H866 AromaticContact CE1-NE2 3.21Å; F853-H866 WeakPolarHBondContact CE1-NE2 3.47Å; F853-H866 AromaticContact CZ-CE1 3.61Å; F853-H866 AromaticContact CZ-ND1 3.89Å; F853-H866 AromaticContact CZ-NE2 3.59Å; F853-F869 HydrophobicContact CD2-CE2 4.29Å; F853-F869 AromaticContact CE2-CD2 3.87Å; F853-F869 HydrophobicContact CE2-CD2 3.87Å; F853-F869 AromaticContact CE2-CE2 3.39Å; F853-F869 HydrophobicContact CE2-CE2 3.39Å; F853-F869 HydrophobicContact CE2-CZ 4.32Å; F853-F869 AromaticContact CZ-CD2 3.99Å; F853-F869 HydrophobicContact CZ-CD2 3.99Å; F853-F869 AromaticContact CZ-CE2 3.89Å; F853-F869 HydrophobicContact CZ-CE2 3.89Å; F853-F886 HydrophobicContact CE2-CE1 4.17Å; F853-F886 HydrophobicContact CE2-CZ 4.06Å; F853-L940 HydrophobicContact CB-CD1 3.95Å; F853-L940 WeakPolarHBondContact O-CD1 3.37Å; F853-E943 HydrophobicContact CD1-CB 3.85Å; F853-E943 HydrophobicContact CD1-CG 4.43Å; F853-E943 HydrophobicContact CE1-CB 4.09Å; F853-S947 WeakPolarHBondContact CZ-OG 3.37Å |
| 854 | F | 68.8 | Low | 74.8 | Confident | 51 Ų | 51 | 48.7 Ų | 48.7 | 22% | 0.224 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -85.3 | -19 | 175.9 | -62.5 | -96.8 | 0 | 0 | 0 | 111.9 | I850 V851 L852 H856 I889 M930 I932 L940 | I850-F854 HydrophobicContact CG2-CE2 4.21Å; I850-F854 WeakPolarHBondContact O-CD2 3.35Å; V851-F854 WeakPolarHBondContact O-CB 3.43Å; V851-F854 PolarHBondContact O-N 3.2Å; L852-F854 PolarHBondContact O-N 3.04Å; F854-H856 PolarHBondContact O-N 3.36Å; F854-H856 PolarHBondContact O-ND1 3.08Å; F854-I889 HydrophobicContact CZ-CG2 4.49Å; F854-M930 HydrophobicContact CE1-CE 4.47Å; F854-M930 HydrophobicContact CE2-CE 4.09Å; F854-M930 HydrophobicContact CZ-CE 3.86Å; F854-I932 HydrophobicContact CD1-CG1 4.43Å; F854-I932 HydrophobicContact CE1-CD1 3.7Å; F854-I932 HydrophobicContact CE1-CG1 3.83Å; F854-I932 HydrophobicContact CE1-CG2 4.47Å; F854-I932 HydrophobicContact CZ-CD1 4.41Å; F854-L940 HydrophobicContact CD1-CD1 4.03Å; F854-L940 HydrophobicContact CD1-CD2 3.88Å; F854-L940 HydrophobicContact CD2-CD1 4.29Å; F854-L940 HydrophobicContact CE1-CD1 3.96Å; F854-L940 HydrophobicContact CE1-CD2 3.37Å; F854-L940 HydrophobicContact CE1-CG 4.33Å; F854-L940 HydrophobicContact CE2-CD1 4.22Å; F854-L940 HydrophobicContact CG-CD1 4.21Å; F854-L940 HydrophobicContact CZ-CD1 4.06Å; F854-L940 HydrophobicContact CZ-CD2 3.96Å |
| 855 | C | 66.7 | Low | 75.2 | Confident | 34 Ų | 34 | 41.9 Ų | 41.9 | 23% | 0.23 | 23% | 0.234 | C | C | . | . | trans | -76.7 | 89.5 | 178.4 | -63.8 | 0 | 0 | 0 | 0 | 111.3 | L852 N857 | L852-C855 WeakPolarHBondContact O-CB 3.39Å; L852-C855 PolarHBondContact O-N 3.37Å; C855-N857 VanDerWaalsContact C-N 3.27Å; C855-N857 PolarHBondContact O-N 2.94Å | ||
| 856 | H | 56.6 | Low | 75.2 | Confident | 85 Ų | 85 | 43.2 Ų | 43.2 | 39% | 0.394 | 24% | 0.24 | S | C | . | . | trans | -68.2 | 81.7 | 173.1 | -80 | 53.2 | 0 | 0 | 0 | 111.6 | F854 F936 A939 | F854-H856 PolarHBondContact O-N 3.36Å; F854-H856 PolarHBondContact O-ND1 3.08Å; H856-F936 HydrophobicContact CB-CD1 4.48Å; H856-F936 AromaticContact CD2-CD1 3.48Å; H856-F936 VanDerWaalsContact CD2-CD1 3.48Å; H856-F936 WeakPolarHBondContact CD2-CD1 3.48Å; H856-F936 AromaticContact CG-CD1 3.78Å; H856-F936 AromaticContact NE2-CD1 3.64Å; H856-A939 WeakPolarHBondContact NE2-CB 3.38Å | ||
| 857 | N | 62 | Low | 75.1 | Confident | 67 Ų | 67 | 49.5 Ų | 49.5 | 36% | 0.358 | 26% | 0.264 | S | S | . | . | trans | -133.9 | 113.7 | 174.1 | -105.3 | -55.6 | 0 | 0 | 0 | 108.6 | I318 C855 N859 L860 | I318-N857 HydrophobicContact CD1-CB 3.94Å; C855-N857 VanDerWaalsContact C-N 3.27Å; C855-N857 PolarHBondContact O-N 2.94Å; N857-N859 PolarHBondContact O-N 3.03Å; N857-N859 VanDerWaalsContact O-N 3.09Å; N857-L860 WeakPolarHBondContact O-CB 3.29Å; N857-L860 PolarHBondContact O-N 3.26Å; N857-L860 VanDerWaalsContact O-N 3.09Å | ||
| 858 | P | 62.9 | Low | 75.3 | Confident | 125 Ų | 125 | 47 Ų | 47 | 81% | 0.812 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -20.3 | -173.1 | 26.3 | -35.1 | 0 | 0 | 0 | 113.4 | L860 | P858-L860 VanDerWaalsContact C-N 3.27Å; P858-L860 PolarHBondContact O-N 3.24Å |
| 859 | N | 70.3 | Confident | 75.5 | Confident | 118 Ų | 118 | 47 Ų | 47 | 63% | 0.631 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -4.7 | 179.2 | -63.1 | -18.8 | 0 | 0 | 0 | 113.6 | I318 N322 N857 | I318-N859 HydrophobicContact CD1-CB 4.26Å; I318-N859 HydrophobicContact CG2-CB 3.87Å; I318-N859 WeakPolarHBondContact CG2-O 3.34Å; N322-N859 PolarHBondContact ND2-O 3.18Å; N857-N859 PolarHBondContact O-N 3.03Å; N857-N859 VanDerWaalsContact O-N 3.09Å |
| 860 | L | 76.4 | Confident | 75.3 | Confident | 27 Ų | 27 | 50.6 Ų | 50.6 | 14% | 0.141 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -85.6 | 127.3 | 175.8 | -176.3 | 67.7 | 0 | 0 | 0 | 110.4 | I318 M321 L325 L852 N857 P858 S862 | I318-L860 HydrophobicContact CG2-CB 4.32Å; M321-L860 HydrophobicContact CB-CD1 4.27Å; L325-L860 HydrophobicContact CD1-CD1 4.17Å; L852-L860 HydrophobicContact CB-CD2 4.23Å; N857-L860 WeakPolarHBondContact O-CB 3.29Å; N857-L860 PolarHBondContact O-N 3.26Å; N857-L860 VanDerWaalsContact O-N 3.09Å; P858-L860 VanDerWaalsContact C-N 3.27Å; P858-L860 PolarHBondContact O-N 3.24Å; L860-S862 PolarHBondContact O-N 3.38Å |
| 861 | N | 78.9 | Confident | 75.1 | Confident | 63 Ų | 63 | 50.9 Ų | 50.9 | 34% | 0.337 | 26% | 0.263 | S | S | . | . | trans | -79.6 | 81.1 | -174.8 | -163.7 | -50.7 | 0 | 0 | 0 | 112.2 | N322 T863 R864 L865 | N322-N861 WeakPolarHBondContact OD1-CB 3.5Å; N322-N861 PolarHBondContact OD1-N 2.99Å; N861-T863 VanDerWaalsContact C-N 3.29Å; N861-T863 PolarHBondContact O-N 2.91Å; N861-R864 HydrophobicContact CB-CB 4.14Å; N861-R864 WeakPolarHBondContact O-CB 3.25Å; N861-R864 PolarHBondContact O-N 2.86Å; N861-R864 WeakPolarHBondContact OD1-CB 3.44Å; N861-R864 PolarHBondContact OD1-N 3.49Å; N861-L865 PolarHBondContact O-N 3.41Å | ||
| 862 | S | 75.4 | Confident | 75.2 | Confident | 35 Ų | 35 | 48.6 Ų | 48.6 | 25% | 0.245 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.4 | -35.8 | 178.7 | 65.7 | 0 | 0 | 0 | 0 | 113.1 | L860 R864 L865 H866 E943 | L860-S862 PolarHBondContact O-N 3.38Å; S862-R864 PolarHBondContact O-N 3.44Å; S862-L865 CarbonylContact O-C 3.6Å; S862-L865 WeakPolarHBondContact O-CA 3.47Å; S862-L865 WeakPolarHBondContact O-CB 3.21Å; S862-L865 PolarHBondContact O-N 2.86Å; S862-H866 PolarHBondContact O-CD2 2.82Å; S862-H866 VanDerWaalsContact O-CD2 3.22Å; S862-H866 PolarHBondContact O-N 3.01Å; S862-E943 WeakPolarHBondContact CB-OE2 3.3Å; S862-E943 PolarHBondContact OG-OE2 3.17Å |
| 863 | T | 77.5 | Confident | 75.2 | Confident | 73 Ų | 73 | 48.3 Ų | 48.3 | 45% | 0.448 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -52 | -39.4 | 171.3 | -65.1 | 0 | 0 | 0 | 0 | 112.1 | N861 R867 | N861-T863 VanDerWaalsContact C-N 3.29Å; N861-T863 PolarHBondContact O-N 2.91Å; T863-R867 WeakPolarHBondContact O-CG 3.43Å; T863-R867 PolarHBondContact O-N 2.87Å; T863-R867 VanDerWaalsContact O-N 3.16Å |
| 864 | R | 81.5 | Confident | 75.1 | Confident | 62 Ų | 62 | 52.2 Ų | 52.2 | 23% | 0.234 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -72.4 | -37 | 175.3 | -163.8 | 175.4 | -60 | -87.1 | 6.3 | 112.4 | L325 E329 N861 S862 R867 L868 | L325-R864 HydrophobicContact CB-CG 4.4Å; E329-R864 HydrophobicContact CB-CG 4.28Å; E329-R864 HydrophobicContact CG-CG 4.45Å; E329-R864 VanDerWaalsContact OE2-CG 3.28Å; E329-R864 WeakPolarHBondContact OE2-CG 3.46Å; E329-R864 IonicContact OE2-CZ 2.78Å; E329-R864 IonicContact OE2-NH1 3.6Å; E329-R864 PolarHBondContact OE2-NH1 3.24Å; N861-R864 HydrophobicContact CB-CB 4.14Å; N861-R864 WeakPolarHBondContact O-CB 3.25Å; N861-R864 PolarHBondContact O-N 2.86Å; N861-R864 WeakPolarHBondContact OD1-CB 3.44Å; N861-R864 PolarHBondContact OD1-N 3.49Å; S862-R864 PolarHBondContact O-N 3.44Å; R864-R867 PolarHBondContact O-N 3.06Å; R864-L868 WeakPolarHBondContact O-CB 3.49Å; R864-L868 PolarHBondContact O-N 2.95Å |
| 865 | L | 84.2 | Confident | 75.2 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 174.4 | -173.5 | 61.3 | 0 | 0 | 0 | 111.6 | L325 L849 L852 F853 N861 S862 L868 F869 | L325-L865 HydrophobicContact CD2-CD1 3.99Å; L849-L865 HydrophobicContact CB-CD1 4.45Å; L852-L865 HydrophobicContact CB-CD2 3.92Å; L852-L865 HydrophobicContact CD1-CD1 4.33Å; F853-L865 HydrophobicContact CD1-CD2 3.95Å; F853-L865 HydrophobicContact CD2-CD2 4.26Å; F853-L865 HydrophobicContact CE1-CD2 3.75Å; F853-L865 HydrophobicContact CE1-CG 4.31Å; F853-L865 HydrophobicContact CE2-CD2 4.1Å; F853-L865 HydrophobicContact CE2-CG 4.45Å; F853-L865 HydrophobicContact CG-CD2 4.19Å; F853-L865 HydrophobicContact CZ-CD2 3.83Å; F853-L865 HydrophobicContact CZ-CG 4.04Å; N861-L865 PolarHBondContact O-N 3.41Å; S862-L865 CarbonylContact O-C 3.6Å; S862-L865 WeakPolarHBondContact O-CA 3.47Å; S862-L865 WeakPolarHBondContact O-CB 3.21Å; S862-L865 PolarHBondContact O-N 2.86Å; L865-L868 PolarHBondContact O-N 3.16Å; L865-F869 HydrophobicContact CD1-CD2 4.07Å; L865-F869 HydrophobicContact CD1-CE2 3.55Å; L865-F869 HydrophobicContact CD1-CZ 4.23Å; L865-F869 HydrophobicContact CD2-CE2 4.22Å; L865-F869 HydrophobicContact CG-CD2 3.95Å; L865-F869 HydrophobicContact CG-CE2 3.63Å; L865-F869 VanDerWaalsContact O-CD2 3.26Å; L865-F869 WeakPolarHBondContact O-CD2 3.47Å; L865-F869 PolarHBondContact O-N 3.25Å |
| 866 | H | 80.7 | Confident | 75.2 | Confident | 29 Ų | 29 | 52.9 Ų | 52.9 | 13% | 0.134 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61 | -42.7 | 171.6 | -64.3 | -53.6 | 0 | 0 | 0 | 112.5 | F853 S862 F869 K870 E943 S947 | F853-H866 AromaticContact CE1-NE2 3.21Å; F853-H866 WeakPolarHBondContact CE1-NE2 3.47Å; F853-H866 AromaticContact CZ-CE1 3.61Å; F853-H866 AromaticContact CZ-ND1 3.89Å; F853-H866 AromaticContact CZ-NE2 3.59Å; S862-H866 PolarHBondContact O-CD2 2.82Å; S862-H866 VanDerWaalsContact O-CD2 3.22Å; S862-H866 PolarHBondContact O-N 3.01Å; H866-F869 PolarHBondContact O-N 2.72Å; H866-K870 WeakPolarHBondContact O-CB 3.5Å; H866-K870 PolarHBondContact O-N 2.73Å; H866-E943 VanDerWaalsContact NE2-CA 3.33Å; H866-E943 WeakPolarHBondContact NE2-CA 3.29Å; H866-E943 PolarHBondContact NE2-O 3.45Å; H866-E943 IonicContact NE2-OE2 3.6Å; H866-E943 PolarHBondContact NE2-OE2 3.4Å; H866-S947 WeakPolarHBondContact CE1-CA 3.36Å; H866-S947 WeakPolarHBondContact CE1-CB 3.31Å; H866-S947 PolarHBondContact CE1-OG 2.8Å; H866-S947 PolarHBondContact ND1-OG 2.79Å; H866-S947 PolarHBondContact NE2-OG 3.1Å; H866-S947 VanDerWaalsContact NE2-OG 3.15Å |
| 867 | R | 80.5 | Confident | 76 | Confident | 133 Ų | 133 | 50.8 Ų | 50.8 | 50% | 0.502 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 175.4 | -70.2 | 171.7 | -168.9 | -165.1 | 3.7 | 111.7 | E329 T863 R864 K870 N871 | E329-R867 HydrophobicContact CG-CB 4.19Å; T863-R867 WeakPolarHBondContact O-CG 3.43Å; T863-R867 PolarHBondContact O-N 2.87Å; T863-R867 VanDerWaalsContact O-N 3.16Å; R864-R867 PolarHBondContact O-N 3.06Å; R867-K870 WeakPolarHBondContact O-CB 3.47Å; R867-K870 PolarHBondContact O-N 2.68Å; R867-N871 PolarHBondContact O-N 2.77Å; R867-N871 PolarHBondContact O-ND2 3.3Å; R867-N871 PolarHBondContact O-OD1 3.08Å |
| 868 | L | 84.3 | Confident | 76.8 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62 | -48.7 | 174.7 | 179.8 | 58.4 | 0 | 0 | 0 | 111.4 | L325 M328 A332 L849 R864 L865 K870 N871 L872 | L325-L868 HydrophobicContact CD2-CD2 3.79Å; M328-L868 HydrophobicContact CB-CD1 4.07Å; M328-L868 HydrophobicContact CB-CD2 4.04Å; M328-L868 HydrophobicContact CE-CD2 4.18Å; M328-L868 HydrophobicContact SD-CD2 4.4Å; A332-L868 HydrophobicContact CB-CD1 3.92Å; L849-L868 HydrophobicContact CD1-CD2 4.05Å; L849-L868 HydrophobicContact CD2-CD2 4.39Å; R864-L868 WeakPolarHBondContact O-CB 3.49Å; R864-L868 PolarHBondContact O-N 2.95Å; L865-L868 PolarHBondContact O-N 3.16Å; L868-K870 PolarHBondContact O-N 3.5Å; L868-N871 PolarHBondContact O-N 2.98Å; L868-L872 HydrophobicContact CD1-CD1 4.02Å; L868-L872 HydrophobicContact CD1-CG 4.25Å; L868-L872 HydrophobicContact CG-CD1 3.95Å; L868-L872 VanDerWaalsContact O-CG 3.29Å; L868-L872 WeakPolarHBondContact O-CG 3.43Å; L868-L872 PolarHBondContact O-N 3.44Å |
| 869 | F | 84.6 | Confident | 77.6 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.009 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.3 | -38.8 | 176.3 | -75.8 | -58.2 | 0 | 0 | 0 | 113 | L849 I850 F853 L865 H866 N871 L872 C873 L882 F886 | L849-F869 HydrophobicContact CB-CE1 4.18Å; L849-F869 HydrophobicContact CB-CZ 3.67Å; I850-F869 HydrophobicContact CG1-CE1 4.33Å; I850-F869 HydrophobicContact CG1-CZ 3.9Å; F853-F869 HydrophobicContact CD2-CE2 4.29Å; F853-F869 AromaticContact CE2-CD2 3.87Å; F853-F869 HydrophobicContact CE2-CD2 3.87Å; F853-F869 AromaticContact CE2-CE2 3.39Å; F853-F869 HydrophobicContact CE2-CE2 3.39Å; F853-F869 HydrophobicContact CE2-CZ 4.32Å; F853-F869 AromaticContact CZ-CD2 3.99Å; F853-F869 HydrophobicContact CZ-CD2 3.99Å; F853-F869 AromaticContact CZ-CE2 3.89Å; F853-F869 HydrophobicContact CZ-CE2 3.89Å; L865-F869 HydrophobicContact CD1-CD2 4.07Å; L865-F869 HydrophobicContact CD1-CE2 3.55Å; L865-F869 HydrophobicContact CD1-CZ 4.23Å; L865-F869 HydrophobicContact CD2-CE2 4.22Å; L865-F869 HydrophobicContact CG-CD2 3.95Å; L865-F869 HydrophobicContact CG-CE2 3.63Å; L865-F869 VanDerWaalsContact O-CD2 3.26Å; L865-F869 WeakPolarHBondContact O-CD2 3.47Å; L865-F869 PolarHBondContact O-N 3.25Å; H866-F869 PolarHBondContact O-N 2.72Å; F869-N871 VanDerWaalsContact C-N 3.34Å; F869-N871 PolarHBondContact O-N 2.88Å; F869-L872 HydrophobicContact CD1-CD1 4.48Å; F869-L872 PolarHBondContact O-N 2.93Å; F869-C873 WeakPolarHBondContact O-CB 3.49Å; F869-C873 PolarHBondContact O-N 3.34Å; F869-C873 PolarHBondContact O-SG 2.87Å; F869-L882 HydrophobicContact CD1-CD1 3.78Å; F869-L882 HydrophobicContact CD1-CD2 3.99Å; F869-L882 HydrophobicContact CE1-CD1 4.37Å; F869-L882 HydrophobicContact CE1-CD2 3.83Å; F869-F886 HydrophobicContact CD2-CZ 4.4Å; F869-F886 HydrophobicContact CE2-CZ 4.46Å |
| 870 | K | 79.3 | Confident | 77.8 | Confident | 76 Ų | 76 | 42.1 Ų | 42.1 | 33% | 0.33 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -54.6 | -48.9 | 170.4 | 163 | 176.3 | 173.9 | 166.3 | 0 | 111.3 | H866 R867 L868 C873 T950 I954 | H866-K870 WeakPolarHBondContact O-CB 3.5Å; H866-K870 PolarHBondContact O-N 2.73Å; R867-K870 WeakPolarHBondContact O-CB 3.47Å; R867-K870 PolarHBondContact O-N 2.68Å; L868-K870 PolarHBondContact O-N 3.5Å; K870-C873 PolarHBondContact O-N 2.96Å; K870-T950 HydrophobicContact CD-CG2 4.46Å; K870-I954 HydrophobicContact CD-CD1 3.5Å; K870-I954 VanDerWaalsContact CD-CD1 3.5Å; K870-I954 HydrophobicContact CG-CD1 3.72Å |
| 871 | N | 77.3 | Confident | 78 | Confident | 15 Ų | 15 | 43.1 Ų | 43.1 | 8% | 0.08 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.9 | -44.4 | -179.3 | -63.9 | -15.3 | 0 | 0 | 0 | 111 | A332 R333 L336 R867 L868 F869 C873 Y874 | A332-N871 HydrophobicContact CB-CB 3.88Å; R333-N871 VanDerWaalsContact CG-ND2 3.3Å; R333-N871 WeakPolarHBondContact CG-ND2 3.41Å; L336-N871 WeakPolarHBondContact CD1-O 3.37Å; R867-N871 PolarHBondContact O-N 2.77Å; R867-N871 PolarHBondContact O-ND2 3.3Å; R867-N871 PolarHBondContact O-OD1 3.08Å; L868-N871 PolarHBondContact O-N 2.98Å; F869-N871 VanDerWaalsContact C-N 3.34Å; F869-N871 PolarHBondContact O-N 2.88Å; N871-C873 VanDerWaalsContact C-N 3.29Å; N871-C873 PolarHBondContact O-N 3.37Å; N871-Y874 WeakPolarHBondContact O-CD2 3.22Å; N871-Y874 PolarHBondContact O-N 3.15Å |
| 872 | L | 80.6 | Confident | 78.1 | Confident | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.2 | -31.2 | 178.3 | -68.7 | 167.2 | 0 | 0 | 0 | 113.2 | L841 L846 L849 L868 F869 Y874 E875 T878 | L841-L872 HydrophobicContact CD1-CD1 3.79Å; L841-L872 HydrophobicContact CD1-CD2 3.96Å; L841-L872 HydrophobicContact CG-CD2 4.44Å; L846-L872 HydrophobicContact CD2-CD1 3.99Å; L849-L872 HydrophobicContact CD1-CD1 4.37Å; L868-L872 HydrophobicContact CD1-CD1 4.02Å; L868-L872 HydrophobicContact CD1-CG 4.25Å; L868-L872 HydrophobicContact CG-CD1 3.95Å; L868-L872 VanDerWaalsContact O-CG 3.29Å; L868-L872 WeakPolarHBondContact O-CG 3.43Å; L868-L872 PolarHBondContact O-N 3.44Å; F869-L872 HydrophobicContact CD1-CD1 4.48Å; F869-L872 PolarHBondContact O-N 2.93Å; L872-Y874 PolarHBondContact O-N 3.28Å; L872-E875 PolarHBondContact O-N 3.22Å; L872-T878 HydrophobicContact CB-CG2 4.12Å |
| 873 | C | 77.3 | Confident | 78.1 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 2.5 | 179 | -72.5 | 0 | 0 | 0 | 0 | 115.6 | F869 K870 N871 E875 R879 L882 L951 F955 | F869-C873 WeakPolarHBondContact O-CB 3.49Å; F869-C873 PolarHBondContact O-N 3.34Å; F869-C873 PolarHBondContact O-SG 2.87Å; K870-C873 PolarHBondContact O-N 2.96Å; N871-C873 VanDerWaalsContact C-N 3.29Å; N871-C873 PolarHBondContact O-N 3.37Å; C873-E875 VanDerWaalsContact C-N 3.26Å; C873-R879 HydrophobicContact CB-CB 4.09Å; C873-R879 HydrophobicContact CB-CG 4.04Å; C873-R879 WeakPolarHBondContact O-CB 3.04Å; C873-R879 WeakPolarHBondContact O-CD 3.43Å; C873-L882 VanDerWaalsContact SG-CD1 3.54Å; C873-L951 HydrophobicContact CB-CD2 3.5Å; C873-L951 VanDerWaalsContact CB-CD2 3.5Å; C873-L951 VanDerWaalsContact SG-CD2 3.52Å; C873-F955 HydrophobicContact CB-CD2 4.47Å; C873-F955 HydrophobicContact CB-CE2 3.84Å; C873-F955 WeakPolarHBondContact O-CE2 3.4Å; C873-F955 WeakPolarHBondContact O-CZ 3.33Å |
| 874 | Y | 71.4 | Confident | 77.9 | Confident | 94 Ų | 94 | 39.2 Ų | 39.2 | 37% | 0.369 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -25.8 | 164.5 | -80.7 | -88.4 | 0 | 0 | 0 | 112.1 | N871 L872 F955 | N871-Y874 WeakPolarHBondContact O-CD2 3.22Å; N871-Y874 PolarHBondContact O-N 3.15Å; L872-Y874 PolarHBondContact O-N 3.28Å; Y874-F955 HydrophobicContact CD1-CE1 4.24Å; Y874-F955 HydrophobicContact CD1-CZ 4.02Å; Y874-F955 HydrophobicContact CD2-CZ 4.25Å; Y874-F955 HydrophobicContact CE1-CE1 4.43Å; Y874-F955 HydrophobicContact CE1-CZ 4.26Å; Y874-F955 HydrophobicContact CE2-CZ 4.5Å; Y874-F955 HydrophobicContact CG-CZ 4.03Å |
| 875 | E | 70.1 | Confident | 77.7 | Confident | 20 Ų | 20 | 37.6 Ų | 37.6 | 9% | 0.093 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -79.7 | 119.4 | 171.1 | -163.6 | -76.1 | 106.5 | 0 | 0 | 109.5 | L872 C873 G877 T878 R879 | L872-E875 PolarHBondContact O-N 3.22Å; C873-E875 VanDerWaalsContact C-N 3.26Å; E875-G877 PolarHBondContact O-N 3.4Å; E875-G877 WeakPolarHBondContact OE1-CA 3.37Å; E875-G877 PolarHBondContact OE1-N 2.92Å; E875-T878 PolarHBondContact O-N 2.79Å; E875-T878 WeakPolarHBondContact OE2-CB 3.39Å; E875-T878 PolarHBondContact OE2-N 3.41Å; E875-T878 PolarHBondContact OE2-OG1 2.81Å; E875-T878 VanDerWaalsContact OE2-OG1 3.09Å; E875-R879 WeakPolarHBondContact O-CB 3.45Å; E875-R879 PolarHBondContact O-N 3.39Å |
| 876 | P | 68.3 | Low | 77.3 | Confident | 79 Ų | 79 | 37.4 Ų | 37.4 | 51% | 0.513 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -65.6 | -31.1 | -167.8 | 24.9 | -35.1 | 0 | 0 | 0 | 114.5 | D880 | P876-D880 PolarHBondContact O-N 3.06Å |
| 877 | G | 71.9 | Confident | 76.9 | Confident | 40 Ų | 40 | 38.6 Ų | 38.6 | 41% | 0.412 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -72 | -45.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E875 R879 W881 | E875-G877 PolarHBondContact O-N 3.4Å; E875-G877 WeakPolarHBondContact OE1-CA 3.37Å; E875-G877 PolarHBondContact OE1-N 2.92Å; G877-R879 VanDerWaalsContact C-N 3.3Å; G877-R879 PolarHBondContact O-N 3.41Å; G877-W881 WeakPolarHBondContact O-CB 3.37Å; G877-W881 PolarHBondContact O-N 2.87Å; G877-W881 VanDerWaalsContact O-N 3.09Å |
| 878 | T | 79.2 | Confident | 76.3 | Confident | 8 Ų | 8 | 34.7 Ų | 34.7 | 5% | 0.049 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.5 | -41.1 | 169 | -73.1 | 0 | 0 | 0 | 0 | 111.3 | L846 L872 E875 L882 | L846-T878 HydrophobicContact CD1-CG2 3.96Å; L846-T878 HydrophobicContact CD2-CG2 4.4Å; L872-T878 HydrophobicContact CB-CG2 4.12Å; E875-T878 PolarHBondContact O-N 2.79Å; E875-T878 WeakPolarHBondContact OE2-CB 3.39Å; E875-T878 PolarHBondContact OE2-N 3.41Å; E875-T878 PolarHBondContact OE2-OG1 2.81Å; E875-T878 VanDerWaalsContact OE2-OG1 3.09Å; T878-L882 HydrophobicContact CG2-CD1 3.61Å; T878-L882 HydrophobicContact CG2-CG 4.25Å; T878-L882 WeakPolarHBondContact O-CB 3.42Å; T878-L882 WeakPolarHBondContact O-CG 3.39Å; T878-L882 PolarHBondContact O-N 2.98Å |
| 879 | R | 80.3 | Confident | 75.6 | Confident | 50 Ų | 50 | 35.9 Ų | 35.9 | 19% | 0.189 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.5 | -54.2 | 178.1 | -173.9 | 178 | 63.5 | -142 | 2.2 | 113.4 | C873 E875 G877 W881 L882 I883 | C873-R879 HydrophobicContact CB-CB 4.09Å; C873-R879 HydrophobicContact CB-CG 4.04Å; C873-R879 WeakPolarHBondContact O-CB 3.04Å; C873-R879 WeakPolarHBondContact O-CD 3.43Å; E875-R879 WeakPolarHBondContact O-CB 3.45Å; E875-R879 PolarHBondContact O-N 3.39Å; G877-R879 VanDerWaalsContact C-N 3.3Å; G877-R879 PolarHBondContact O-N 3.41Å; R879-W881 VanDerWaalsContact C-N 3.3Å; R879-W881 PolarHBondContact O-N 2.72Å; R879-L882 PolarHBondContact O-N 3.09Å; R879-I883 HydrophobicContact CG-CD1 3.78Å; R879-I883 WeakPolarHBondContact O-CG1 3.28Å; R879-I883 PolarHBondContact O-N 3.3Å |
| 880 | D | 73.4 | Confident | 74.6 | Confident | 70 Ų | 70 | 37.2 Ų | 37.2 | 37% | 0.374 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.3 | -42.8 | 178.3 | 172.5 | 79.7 | 0 | 0 | 0 | 110.9 | P876 R884 | P876-D880 PolarHBondContact O-N 3.06Å; D880-R884 WeakPolarHBondContact O-CB 3.48Å; D880-R884 VanDerWaalsContact O-CG 3.28Å; D880-R884 WeakPolarHBondContact O-CG 3.48Å; D880-R884 PolarHBondContact O-N 2.69Å; D880-R884 IonicContact OD1-CZ 3.15Å; D880-R884 IonicContact OD1-NE 2.68Å; D880-R884 PolarHBondContact OD1-NE 3.28Å; D880-R884 IonicContact OD1-NH2 3.48Å; D880-R884 PolarHBondContact OD1-NH2 3.03Å; D880-R884 IonicContact OD2-CZ 3.2Å; D880-R884 IonicContact OD2-NE 3.37Å; D880-R884 PolarHBondContact OD2-NE 3.23Å; D880-R884 IonicContact OD2-NH2 2.73Å |
| 881 | W | 80.4 | Confident | 73.9 | Confident | 48 Ų | 48 | 36.9 Ų | 36.9 | 18% | 0.182 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.4 | -40 | 178.1 | -175.5 | 76.9 | 0 | 0 | 0 | 113.4 | K843 L846 I850 G877 R879 T885 | K843-W881 HydrophobicContact CB-CH2 4.41Å; K843-W881 HydrophobicContact CB-CZ2 3.97Å; K843-W881 HydrophobicContact CD-CD2 4.26Å; K843-W881 HydrophobicContact CD-CG 4.15Å; K843-W881 HydrophobicContact CG-CD2 4.03Å; K843-W881 HydrophobicContact CG-CG 4.33Å; K843-W881 HydrophobicContact CG-CZ2 4.29Å; L846-W881 HydrophobicContact CB-CE3 4.36Å; L846-W881 HydrophobicContact CB-CH2 4.05Å; L846-W881 HydrophobicContact CB-CZ3 3.51Å; L846-W881 HydrophobicContact CD1-CE3 3.83Å; L846-W881 HydrophobicContact CD1-CZ3 3.84Å; L846-W881 HydrophobicContact CG-CZ3 4.32Å; I850-W881 HydrophobicContact CD1-CH2 4.18Å; I850-W881 HydrophobicContact CD1-CZ3 4.14Å; G877-W881 WeakPolarHBondContact O-CB 3.37Å; G877-W881 PolarHBondContact O-N 2.87Å; G877-W881 VanDerWaalsContact O-N 3.09Å; R879-W881 VanDerWaalsContact C-N 3.3Å; R879-W881 PolarHBondContact O-N 2.72Å; W881-T885 HydrophobicContact CH2-CG2 4.39Å; W881-T885 WeakPolarHBondContact O-CB 3.44Å; W881-T885 PolarHBondContact O-N 3.25Å; W881-T885 PolarHBondContact O-OG1 3.24Å |
| 882 | L | 81.5 | Confident | 73.2 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.6 | -45.1 | 176.8 | -79.3 | 170.8 | 0 | 0 | 0 | 111.8 | I850 F869 C873 T878 R879 T885 F886 | I850-L882 HydrophobicContact CD1-CD2 3.98Å; F869-L882 HydrophobicContact CD1-CD1 3.78Å; F869-L882 HydrophobicContact CD1-CD2 3.99Å; F869-L882 HydrophobicContact CE1-CD1 4.37Å; F869-L882 HydrophobicContact CE1-CD2 3.83Å; C873-L882 VanDerWaalsContact SG-CD1 3.54Å; T878-L882 HydrophobicContact CG2-CD1 3.61Å; T878-L882 HydrophobicContact CG2-CG 4.25Å; T878-L882 WeakPolarHBondContact O-CB 3.42Å; T878-L882 WeakPolarHBondContact O-CG 3.39Å; T878-L882 PolarHBondContact O-N 2.98Å; R879-L882 PolarHBondContact O-N 3.09Å; L882-T885 PolarHBondContact O-N 2.82Å; L882-F886 HydrophobicContact CD2-CZ 4.36Å; L882-F886 WeakPolarHBondContact O-CG 3.47Å; L882-F886 PolarHBondContact O-N 3.43Å |
| 883 | I | 76.3 | Confident | 72.2 | Confident | 15 Ų | 15 | 41.2 Ų | 41.2 | 8% | 0.077 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.8 | -48.5 | 177.6 | -67.3 | 169.3 | 0 | 0 | 0 | 110.2 | R879 T885 F886 L887 L948 L951 A958 F959 | R879-I883 HydrophobicContact CG-CD1 3.78Å; R879-I883 WeakPolarHBondContact O-CG1 3.28Å; R879-I883 PolarHBondContact O-N 3.3Å; I883-T885 VanDerWaalsContact C-N 3.32Å; I883-T885 PolarHBondContact O-N 3.19Å; I883-F886 PolarHBondContact O-N 2.78Å; I883-L887 HydrophobicContact CG2-CD1 3.81Å; I883-L887 HydrophobicContact CG2-CG 4.45Å; I883-L887 WeakPolarHBondContact O-CB 3.06Å; I883-L887 VanDerWaalsContact O-CG 3.3Å; I883-L887 WeakPolarHBondContact O-CG 3.32Å; I883-L887 PolarHBondContact O-N 2.95Å; I883-L948 HydrophobicContact CG1-CD2 4.43Å; I883-L948 HydrophobicContact CG2-CD2 4.28Å; I883-L951 HydrophobicContact CG1-CD1 4.17Å; I883-A958 HydrophobicContact CD1-CB 4.38Å; I883-F959 HydrophobicContact CD1-CD2 4.43Å; I883-F959 HydrophobicContact CD1-CE1 4.47Å; I883-F959 HydrophobicContact CD1-CE2 3.7Å; I883-F959 HydrophobicContact CD1-CZ 3.74Å; I883-F959 HydrophobicContact CG1-CE2 4.49Å; I883-F959 HydrophobicContact CG1-CZ 4.05Å; I883-F959 HydrophobicContact CG2-CE1 4.04Å; I883-F959 HydrophobicContact CG2-CZ 4.25Å |
| 884 | R | 72.7 | Confident | 71.2 | Confident | 74 Ų | 74 | 46 Ų | 46 | 28% | 0.279 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.3 | -39.9 | 175.4 | -71.3 | -179.5 | -163.1 | -120.7 | 0.5 | 112.5 | D880 S888 | D880-R884 WeakPolarHBondContact O-CB 3.48Å; D880-R884 VanDerWaalsContact O-CG 3.28Å; D880-R884 WeakPolarHBondContact O-CG 3.48Å; D880-R884 PolarHBondContact O-N 2.69Å; D880-R884 IonicContact OD1-CZ 3.15Å; D880-R884 IonicContact OD1-NE 2.68Å; D880-R884 PolarHBondContact OD1-NE 3.28Å; D880-R884 IonicContact OD1-NH2 3.48Å; D880-R884 PolarHBondContact OD1-NH2 3.03Å; D880-R884 IonicContact OD2-CZ 3.2Å; D880-R884 IonicContact OD2-NE 3.37Å; D880-R884 PolarHBondContact OD2-NE 3.23Å; D880-R884 IonicContact OD2-NH2 2.73Å; R884-S888 WeakPolarHBondContact O-CB 3.5Å; R884-S888 PolarHBondContact O-N 2.91Å |
| 885 | T | 76.7 | Confident | 70.4 | Confident | 28 Ų | 28 | 48.3 Ų | 48.3 | 17% | 0.172 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.8 | -46.2 | -179.9 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | I850 W881 L882 I883 S888 I889 | I850-T885 HydrophobicContact CD1-CG2 3.85Å; W881-T885 HydrophobicContact CH2-CG2 4.39Å; W881-T885 WeakPolarHBondContact O-CB 3.44Å; W881-T885 PolarHBondContact O-N 3.25Å; W881-T885 PolarHBondContact O-OG1 3.24Å; L882-T885 PolarHBondContact O-N 2.82Å; I883-T885 VanDerWaalsContact C-N 3.32Å; I883-T885 PolarHBondContact O-N 3.19Å; T885-S888 PolarHBondContact O-N 3.01Å; T885-I889 HydrophobicContact CG2-CD1 3.94Å; T885-I889 VanDerWaalsContact O-CG1 3.32Å; T885-I889 WeakPolarHBondContact O-CG1 3.48Å; T885-I889 PolarHBondContact O-N 3.01Å |
| 886 | F | 77.2 | Confident | 69.6 | Low | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.8 | -46 | 176.2 | -68 | -25.1 | 0 | 0 | 0 | 112.1 | I850 F853 F869 L882 I883 S888 I889 L890 M944 L948 | I850-F886 HydrophobicContact CD1-CE1 4.2Å; I850-F886 HydrophobicContact CG1-CE1 4.04Å; F853-F886 HydrophobicContact CE2-CE1 4.17Å; F853-F886 HydrophobicContact CE2-CZ 4.06Å; F869-F886 HydrophobicContact CD2-CZ 4.4Å; F869-F886 HydrophobicContact CE2-CZ 4.46Å; L882-F886 HydrophobicContact CD2-CZ 4.36Å; L882-F886 WeakPolarHBondContact O-CG 3.47Å; L882-F886 PolarHBondContact O-N 3.43Å; I883-F886 PolarHBondContact O-N 2.78Å; F886-S888 PolarHBondContact O-N 2.86Å; F886-I889 PolarHBondContact O-N 3.23Å; F886-L890 WeakPolarHBondContact O-CG 3.23Å; F886-L890 PolarHBondContact O-N 2.89Å; F886-M944 HydrophobicContact CB-CE 3.98Å; F886-M944 HydrophobicContact CD1-CE 3.56Å; F886-M944 HydrophobicContact CE1-CE 4.41Å; F886-M944 HydrophobicContact CG-CE 4.11Å; F886-L948 HydrophobicContact CB-CD1 4.05Å; F886-L948 HydrophobicContact CB-CD2 4.05Å; F886-L948 HydrophobicContact CB-CG 4.08Å; F886-L948 HydrophobicContact CD2-CD2 4.11Å; F886-L948 HydrophobicContact CD2-CG 4.19Å |
| 887 | L | 71.2 | Confident | 68.8 | Low | 53 Ų | 53 | 49.3 Ų | 49.3 | 28% | 0.277 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.2 | -38.9 | 176.2 | -68.8 | 173.2 | 0 | 0 | 0 | 112.5 | I883 L890 D891 L948 | I883-L887 HydrophobicContact CG2-CD1 3.81Å; I883-L887 HydrophobicContact CG2-CG 4.45Å; I883-L887 WeakPolarHBondContact O-CB 3.06Å; I883-L887 VanDerWaalsContact O-CG 3.3Å; I883-L887 WeakPolarHBondContact O-CG 3.32Å; I883-L887 PolarHBondContact O-N 2.95Å; L887-L890 PolarHBondContact O-N 3.41Å; L887-D891 PolarHBondContact O-N 3.16Å; L887-L948 HydrophobicContact CD2-CD1 3.87Å; L887-L948 HydrophobicContact CG-CD1 4.34Å |
| 888 | S | 69.4 | Low | 67.5 | Low | 52 Ų | 52 | 54.9 Ų | 54.9 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.9 | -34.8 | 177.3 | -175.5 | 0 | 0 | 0 | 0 | 112.9 | R884 T885 F886 R892 | R884-S888 WeakPolarHBondContact O-CB 3.5Å; R884-S888 PolarHBondContact O-N 2.91Å; T885-S888 PolarHBondContact O-N 3.01Å; F886-S888 PolarHBondContact O-N 2.86Å; S888-R892 WeakPolarHBondContact O-CB 3.44Å; S888-R892 VanDerWaalsContact O-CG 3.27Å; S888-R892 WeakPolarHBondContact O-CG 3.42Å; S888-R892 PolarHBondContact O-N 3.18Å; S888-R892 VanDerWaalsContact O-N 3.13Å |
| 889 | I | 67.9 | Low | 66.1 | Low | 25 Ų | 25 | 62 Ų | 62 | 13% | 0.128 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.6 | -43.2 | 172.4 | -69.1 | 164.3 | 0 | 0 | 0 | 110.3 | I850 F854 T885 F886 R892 T893 M944 | I850-I889 HydrophobicContact CG2-CD1 4.14Å; F854-I889 HydrophobicContact CZ-CG2 4.49Å; T885-I889 HydrophobicContact CG2-CD1 3.94Å; T885-I889 VanDerWaalsContact O-CG1 3.32Å; T885-I889 WeakPolarHBondContact O-CG1 3.48Å; T885-I889 PolarHBondContact O-N 3.01Å; F886-I889 PolarHBondContact O-N 3.23Å; I889-R892 PolarHBondContact O-N 3.43Å; I889-T893 HydrophobicContact CG2-CG2 4.48Å; I889-T893 PolarHBondContact O-N 2.94Å; I889-T893 PolarHBondContact O-OG1 2.97Å; I889-M944 HydrophobicContact CB-CE 3.64Å; I889-M944 HydrophobicContact CD1-CE 3.91Å; I889-M944 HydrophobicContact CG1-CE 4.38Å; I889-M944 HydrophobicContact CG2-CE 3.58Å; I889-M944 HydrophobicContact CG2-SD 3.78Å |
| 890 | L | 65.2 | Low | 64.4 | Low | 31 Ų | 31 | 62.6 Ų | 62.6 | 16% | 0.162 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.8 | -38.4 | 178.7 | -69.8 | 169.8 | 0 | 0 | 0 | 113.3 | F886 L887 T893 Y894 C941 M944 I945 L948 | F886-L890 WeakPolarHBondContact O-CG 3.23Å; F886-L890 PolarHBondContact O-N 2.89Å; L887-L890 PolarHBondContact O-N 3.41Å; L890-T893 WeakPolarHBondContact CA-OG1 3.32Å; L890-T893 PolarHBondContact O-OG1 3.46Å; L890-T893 VanDerWaalsContact O-OG1 3.05Å; L890-Y894 VanDerWaalsContact O-CB 3.28Å; L890-Y894 WeakPolarHBondContact O-CB 3Å; L890-Y894 PolarHBondContact O-N 3.02Å; L890-C941 HydrophobicContact CD2-CB 4.06Å; L890-M944 HydrophobicContact CD1-CB 4.48Å; L890-M944 HydrophobicContact CD2-CB 4.3Å; L890-I945 HydrophobicContact CD1-CG1 4.31Å; L890-L948 HydrophobicContact CD1-CD1 3.66Å |
| 891 | D | 62.8 | Low | 62.7 | Low | 68 Ų | 68 | 64.4 Ų | 64.4 | 36% | 0.364 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.8 | -38.8 | 172.3 | -179.9 | 46.5 | 0 | 0 | 0 | 111.5 | L887 R895 | L887-D891 PolarHBondContact O-N 3.16Å; D891-R895 VanDerWaalsContact O-CG 3.27Å; D891-R895 WeakPolarHBondContact O-CG 3.36Å; D891-R895 PolarHBondContact O-N 3.02Å; D891-R895 IonicContact OD1-CZ 3.57Å; D891-R895 IonicContact OD1-NE 2.92Å; D891-R895 PolarHBondContact OD1-NE 2.77Å; D891-R895 IonicContact OD1-NH2 3.73Å; D891-R895 PolarHBondContact OD1-NH2 2.96Å; D891-R895 IonicContact OD2-CZ 2.75Å; D891-R895 VanDerWaalsContact OD2-CZ 3.24Å; D891-R895 IonicContact OD2-NE 3.19Å; D891-R895 PolarHBondContact OD2-NE 3.07Å; D891-R895 IonicContact OD2-NH2 2.68Å; D891-R895 PolarHBondContact OD2-NH2 3.3Å |
| 892 | R | 63.5 | Low | 60.3 | Low | 105 Ų | 105 | 67.9 Ų | 67.9 | 40% | 0.396 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 175.7 | -77.2 | 176.2 | 172.6 | -135.8 | -7.4 | 112.8 | S888 I889 R895 S896 V928 N929 | S888-R892 WeakPolarHBondContact O-CB 3.44Å; S888-R892 VanDerWaalsContact O-CG 3.27Å; S888-R892 WeakPolarHBondContact O-CG 3.42Å; S888-R892 PolarHBondContact O-N 3.18Å; S888-R892 VanDerWaalsContact O-N 3.13Å; I889-R892 PolarHBondContact O-N 3.43Å; R892-R895 PolarHBondContact O-N 3.11Å; R892-S896 WeakPolarHBondContact O-CB 3.41Å; R892-S896 PolarHBondContact O-N 2.98Å; R892-V928 PolarHBondContact NH1-O 2.86Å; R892-N929 PolarHBondContact NH1-OD1 3.14Å |
| 893 | T | 60.7 | Low | 58 | Low | 6 Ų | 6 | 73.2 Ų | 73.2 | 4% | 0.037 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 176.7 | 53.1 | 0 | 0 | 0 | 0 | 111.4 | I889 L890 R895 S896 A897 I932 L937 | I889-T893 HydrophobicContact CG2-CG2 4.48Å; I889-T893 PolarHBondContact O-N 2.94Å; I889-T893 PolarHBondContact O-OG1 2.97Å; L890-T893 WeakPolarHBondContact CA-OG1 3.32Å; L890-T893 PolarHBondContact O-OG1 3.46Å; L890-T893 VanDerWaalsContact O-OG1 3.05Å; T893-R895 PolarHBondContact O-N 3.39Å; T893-S896 PolarHBondContact O-N 3.48Å; T893-A897 WeakPolarHBondContact O-CB 3.17Å; T893-A897 PolarHBondContact O-N 3.08Å; T893-I932 HydrophobicContact CG2-CD1 3.55Å; T893-L937 HydrophobicContact CG2-CD1 3.97Å; T893-L937 HydrophobicContact CG2-CG 4.18Å |
| 894 | Y | 54.9 | Low | 55.7 | Low | 99 Ų | 99 | 82.3 Ų | 82.3 | 39% | 0.388 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 176.4 | 177.9 | -103.9 | 0 | 0 | 0 | 112.7 | L890 K898 L1022 | L890-Y894 VanDerWaalsContact O-CB 3.28Å; L890-Y894 WeakPolarHBondContact O-CB 3Å; L890-Y894 PolarHBondContact O-N 3.02Å; Y894-K898 PolarHBondContact O-N 3Å; Y894-L1022 HydrophobicContact CD2-CD1 4.47Å; Y894-L1022 HydrophobicContact CE2-CD1 3.96Å; Y894-L1022 HydrophobicContact CE2-CD2 4.03Å |
| 895 | R | 55.2 | Low | 53.7 | Low | 143 Ų | 143 | 85.2 Ų | 85.2 | 54% | 0.54 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.4 | -47.2 | 175.5 | -70.1 | 173 | -163.4 | -126 | 12.5 | 112.2 | D891 R892 T893 A897 K898 E899 | D891-R895 VanDerWaalsContact O-CG 3.27Å; D891-R895 WeakPolarHBondContact O-CG 3.36Å; D891-R895 PolarHBondContact O-N 3.02Å; D891-R895 IonicContact OD1-CZ 3.57Å; D891-R895 IonicContact OD1-NE 2.92Å; D891-R895 PolarHBondContact OD1-NE 2.77Å; D891-R895 IonicContact OD1-NH2 3.73Å; D891-R895 PolarHBondContact OD1-NH2 2.96Å; D891-R895 IonicContact OD2-CZ 2.75Å; D891-R895 VanDerWaalsContact OD2-CZ 3.24Å; D891-R895 IonicContact OD2-NE 3.19Å; D891-R895 PolarHBondContact OD2-NE 3.07Å; D891-R895 IonicContact OD2-NH2 2.68Å; D891-R895 PolarHBondContact OD2-NH2 3.3Å; R892-R895 PolarHBondContact O-N 3.11Å; T893-R895 PolarHBondContact O-N 3.39Å; R895-A897 VanDerWaalsContact C-N 3.32Å; R895-A897 PolarHBondContact O-N 3.18Å; R895-K898 WeakPolarHBondContact O-CA 3.46Å; R895-K898 WeakPolarHBondContact O-CB 3.2Å; R895-K898 PolarHBondContact O-N 3.36Å; R895-E899 PolarHBondContact O-N 3.17Å |
| 896 | S | 52.4 | Low | 51.3 | Low | 60 Ų | 60 | 90.3 Ų | 90.3 | 42% | 0.42 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.7 | -40.8 | -180 | -175.2 | 0 | 0 | 0 | 0 | 112.2 | R892 T893 K898 E899 A900 | R892-S896 WeakPolarHBondContact O-CB 3.41Å; R892-S896 PolarHBondContact O-N 2.98Å; T893-S896 PolarHBondContact O-N 3.48Å; S896-K898 PolarHBondContact O-N 3.12Å; S896-E899 PolarHBondContact O-N 3.3Å; S896-A900 WeakPolarHBondContact O-CB 3.44Å; S896-A900 PolarHBondContact O-N 3.28Å |
| 897 | A | 52 | Low | 49.1 | Very low | 61 Ų | 61 | 100.2 Ų | 100.2 | 50% | 0.504 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.2 | -25.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T893 R895 L937 | T893-A897 WeakPolarHBondContact O-CB 3.17Å; T893-A897 PolarHBondContact O-N 3.08Å; R895-A897 VanDerWaalsContact C-N 3.32Å; R895-A897 PolarHBondContact O-N 3.18Å; A897-L937 HydrophobicContact CB-CD2 3.9Å |
| 898 | K | 45.5 | Very low | 47.2 | Very low | 157 Ų | 157 | 101.7 Ų | 101.7 | 68% | 0.683 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -83.9 | -20.6 | 178.4 | -164.2 | 170.5 | -176 | 172 | 0 | 113.5 | Y894 R895 S896 | Y894-K898 PolarHBondContact O-N 3Å; R895-K898 WeakPolarHBondContact O-CA 3.46Å; R895-K898 WeakPolarHBondContact O-CB 3.2Å; R895-K898 PolarHBondContact O-N 3.36Å; S896-K898 PolarHBondContact O-N 3.12Å |
| 899 | E | 48.8 | Very low | 45.5 | Very low | 158 Ų | 158 | 103.9 Ų | 103.9 | 74% | 0.738 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -98.7 | -17.2 | -179 | -68.2 | 175.5 | 179.1 | 0 | 0 | 113.2 | R895 S896 S901 | R895-E899 PolarHBondContact O-N 3.17Å; S896-E899 PolarHBondContact O-N 3.3Å; E899-S901 PolarHBondContact O-N 2.9Å |
| 900 | A | 44.5 | Very low | 43.7 | Very low | 62 Ų | 62 | 107 Ų | 107 | 51% | 0.512 | 58% | 0.58 | S | S | . | * | trans | -73.1 | 23.3 | -173 | 0 | 0 | 0 | 0 | 0 | 116.3 | S896 V902 | S896-A900 WeakPolarHBondContact O-CB 3.44Å; S896-A900 PolarHBondContact O-N 3.28Å; A900-V902 PolarHBondContact O-N 3.35Å; A900-V902 VanDerWaalsContact O-N 3.11Å | ||
| 901 | S | 37.3 | Very low | 42 | Very low | 107 Ų | 107 | 113.1 Ų | 113.1 | 75% | 0.748 | 61% | 0.61 | S | S | * | * | trans | -80.6 | 20.2 | -175.3 | 66.7 | 0 | 0 | 0 | 0 | 115 | E899 | E899-S901 PolarHBondContact O-N 2.9Š| ||
| 902 | V | 31.4 | Very low | 40.4 | Very low | 121 Ų | 121 | 113.3 Ų | 113.3 | 73% | 0.733 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -138.1 | 122.8 | -179.2 | -175.3 | 0 | 0 | 0 | 0 | 110 | A900 | A900-V902 PolarHBondContact O-N 3.35Å; A900-V902 VanDerWaalsContact O-N 3.11Å |
| 903 | P | 32.5 | Very low | 38.7 | Very low | 113 Ų | 113 | 113.3 Ų | 113.3 | 73% | 0.734 | 64% | 0.64 | S | S | * | * | trans | -98.2 | 165.5 | -170.5 | 37.3 | -36.5 | 0 | 0 | 0 | 115.6 | ||||
| 904 | K | 27.3 | Very low | 37.3 | Very low | 206 Ų | 206 | 121.6 Ų | 121.6 | 90% | 0.896 | 68% | 0.678 | S | S | * | * | trans | 76.9 | 102.1 | 170.4 | -59.6 | -171.8 | 176.2 | -173 | 0 | 118.5 | ||||
| 905 | V | 30.5 | Very low | 36 | Very low | 135 Ų | 135 | 125.1 Ų | 125.1 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | trans | -141.1 | 141.1 | 145.7 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 906 | D | 27.9 | Very low | 34.6 | Very low | 134 Ų | 134 | 125.2 Ų | 125.2 | 72% | 0.717 | 71% | 0.708 | S | S | * | * | trans | -74.7 | 131.2 | -178.1 | -67 | -56.8 | 0 | 0 | 0 | 113.2 | ||||
| 907 | W | 30.2 | Very low | 33.5 | Very low | 209 Ų | 209 | 129.6 Ų | 129.6 | 79% | 0.792 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -90.9 | -22.7 | -169.3 | 18.9 | -73.9 | 0 | 0 | 0 | 113.8 | S909 S910 | W907-S909 VanDerWaalsContact C-N 3.3Å; W907-S909 PolarHBondContact O-N 2.83Å; W907-S910 PolarHBondContact O-N 2.9Å |
| 908 | A | 30.7 | Very low | 32.3 | Very low | 83 Ų | 83 | 137.1 Ų | 137.1 | 69% | 0.686 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -33.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S910 | A908-S910 PolarHBondContact O-N 3.03Š|
| 909 | S | 34.7 | Very low | 31.3 | Very low | 99 Ų | 99 | 135.2 Ų | 135.2 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -9.3 | -172.8 | -53.1 | 0 | 0 | 0 | 0 | 114.6 | W907 | W907-S909 VanDerWaalsContact C-N 3.3Å; W907-S909 PolarHBondContact O-N 2.83Å |
| 910 | S | 30.6 | Very low | 30.3 | Very low | 90 Ų | 90 | 132.5 Ų | 132.5 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -107.8 | -6.8 | -167.1 | -163.3 | 0 | 0 | 0 | 0 | 115.4 | W907 A908 | W907-S910 PolarHBondContact O-N 2.9Å; A908-S910 PolarHBondContact O-N 3.03Å |
| 911 | M | 27.8 | Very low | 29.3 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 79% | 0.788 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -94.8 | -5.3 | 179.5 | -74 | -176.9 | -79.2 | 0 | 0 | 114.3 | ||
| 912 | G | 29.5 | Very low | 28.9 | Very low | 71 Ų | 71 | 137.7 Ų | 137.7 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -96 | -4.2 | -173 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 913 | T | 29.2 | Very low | 28.5 | Very low | 105 Ų | 105 | 144.2 Ų | 144.2 | 64% | 0.644 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -142.8 | 45.7 | -152.7 | 44.8 | 0 | 0 | 0 | 0 | 115.8 | ||
| 914 | H | 30 | Very low | 28.2 | Very low | 180 Ų | 180 | 143.5 Ų | 143.5 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | trans | -143.1 | 9 | 178.4 | -109.4 | -64.2 | 0 | 0 | 0 | 118.8 | ||||
| 915 | I | 29 | Very low | 28.2 | Very low | 174 Ų | 174 | 141.4 Ų | 141.4 | 89% | 0.892 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -84.4 | -20.8 | -177 | -71.9 | 174.3 | 0 | 0 | 0 | 113.6 | ||
| 916 | E | 25.6 | Very low | 28 | Very low | 144 Ų | 144 | 142 Ų | 142 | 67% | 0.673 | 77% | 0.772 | S | S | * | * | trans | -109.1 | 93.8 | -178.5 | -70.6 | 169.6 | -149.9 | 0 | 0 | 112.7 | ||||
| 917 | Q | 28 | Very low | 28.3 | Very low | 152 Ų | 152 | 139.8 Ų | 139.8 | 71% | 0.71 | 76% | 0.763 | S | S | * | * | trans | 176.1 | 146.3 | 132.2 | -101.9 | 169.3 | 80.5 | 0 | 0 | 116.7 | ||||
| 918 | R | 27.8 | Very low | 28.6 | Very low | 219 Ų | 219 | 135 Ų | 135 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | trans | 75.1 | 85.9 | 149.6 | -68.6 | 167.9 | -164 | -143.1 | -1.6 | 119.6 | ||||
| 919 | S | 25.2 | Very low | 28.5 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | -34.7 | 163.5 | 135.6 | -175.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 920 | A | 26.1 | Very low | 28.6 | Very low | 100 Ų | 100 | 137.2 Ų | 137.2 | 83% | 0.826 | 75% | 0.748 | S | S | * | * | trans | 83 | 94 | 165.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 921 | G | 24.6 | Very low | 28.9 | Very low | 71 Ų | 71 | 140.9 Ų | 140.9 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | 103 | 56.3 | 115.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 922 | K | 27.9 | Very low | 29.8 | Very low | 207 Ų | 207 | 135.1 Ų | 135.1 | 90% | 0.9 | 73% | 0.732 | S | S | * | * | trans | -172 | 133.9 | 139 | -101.6 | 148.5 | -172.5 | 177.9 | 0 | 110.8 | ||||
| 923 | R | 23 | Very low | 30.4 | Very low | 259 Ų | 259 | 135.5 Ų | 135.5 | 98% | 0.977 | 72% | 0.717 | S | S | * | * | trans | -78.6 | 121.1 | 170.4 | -76.6 | 179.6 | 171 | 169.2 | -4.5 | 108.8 | ||||
| 924 | S | 26.3 | Very low | 31.2 | Very low | 98 Ų | 98 | 134.6 Ų | 134.6 | 69% | 0.685 | 71% | 0.713 | S | S | * | * | trans | -150.5 | 158.7 | 171.8 | -168.6 | 0 | 0 | 0 | 0 | 109.5 | N926 | S924-N926 PolarHBondContact O-N 3.38Š| ||
| 925 | N | 26.8 | Very low | 32.1 | Very low | 161 Ų | 161 | 132.8 Ų | 132.8 | 86% | 0.861 | 71% | 0.709 | S | S | * | * | trans | -79.1 | 70 | -164.7 | -66.4 | -19.1 | 0 | 0 | 0 | 113.9 | V927 | N925-V927 PolarHBondContact O-N 2.98Å; N925-V927 VanDerWaalsContact O-N 3.12Å | ||
| 926 | N | 28.4 | Very low | 33.3 | Very low | 149 Ų | 149 | 128.9 Ų | 128.9 | 80% | 0.797 | 69% | 0.686 | S | S | * | * | trans | -81.5 | 86.4 | 174.6 | -75.4 | 6.8 | 0 | 0 | 0 | 111.6 | S924 V928 | S924-N926 PolarHBondContact O-N 3.38Å; N926-V928 PolarHBondContact O-N 3.18Å | ||
| 927 | V | 33.1 | Very low | 34.8 | Very low | 87 Ų | 87 | 123.2 Ų | 123.2 | 53% | 0.527 | 66% | 0.66 | S | S | . | * | trans | -66.5 | 125.3 | 162.8 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | N925 N929 | N925-V927 PolarHBondContact O-N 2.98Å; N925-V927 VanDerWaalsContact O-N 3.12Å; V927-N929 PolarHBondContact O-N 3.12Å | ||
| 928 | V | 35.8 | Very low | 36.2 | Very low | 109 Ų | 109 | 120 Ų | 120 | 66% | 0.661 | 65% | 0.652 | S | S | * | * | trans | -53.7 | 125.8 | -172.8 | -171.8 | 0 | 0 | 0 | 0 | 111.6 | R892 N926 M930 | R892-V928 PolarHBondContact NH1-O 2.86Å; N926-V928 PolarHBondContact O-N 3.18Å; V928-M930 HydrophobicContact CB-CG 4.4Å; V928-M930 HydrophobicContact CG1-CG 3.74Å; V928-M930 PolarHBondContact O-N 2.91Å; V928-M930 VanDerWaalsContact O-N 3.17Å | ||
| 929 | N | 30.1 | Very low | 37.7 | Very low | 139 Ų | 139 | 111.8 Ų | 111.8 | 74% | 0.743 | 63% | 0.631 | S | S | * | * | trans | -81.5 | 88.3 | 170.1 | -83.6 | -0.2 | 0 | 0 | 0 | 109.4 | R892 V927 | R892-N929 PolarHBondContact NH1-OD1 3.14Å; V927-N929 PolarHBondContact O-N 3.12Å | ||
| 930 | M | 36.3 | Very low | 39.6 | Very low | 89 Ų | 89 | 106.2 Ų | 106.2 | 44% | 0.438 | 59% | 0.592 | S | S | . | * | trans | -87.4 | 113 | 168.2 | -61.8 | -167.8 | -70.2 | 0 | 0 | 109 | F854 V928 I932 | F854-M930 HydrophobicContact CE1-CE 4.47Å; F854-M930 HydrophobicContact CE2-CE 4.09Å; F854-M930 HydrophobicContact CZ-CE 3.86Å; V928-M930 HydrophobicContact CB-CG 4.4Å; V928-M930 HydrophobicContact CG1-CG 3.74Å; V928-M930 PolarHBondContact O-N 2.91Å; V928-M930 VanDerWaalsContact O-N 3.17Å; M930-I932 HydrophobicContact CB-CG1 4.5Å; M930-I932 PolarHBondContact O-N 3.2Å | ||
| 931 | N | 36.6 | Very low | 41.4 | Very low | 166 Ų | 166 | 102.8 Ų | 102.8 | 89% | 0.888 | 56% | 0.562 | S | S | * | * | trans | -75.2 | 111.2 | 167.1 | -90.1 | 3 | 0 | 0 | 0 | 108.4 | ||||
| 932 | I | 46.6 | Very low | 43.4 | Very low | 40 Ų | 40 | 102.9 Ų | 102.9 | 21% | 0.205 | 55% | 0.55 | C | S | . | * | trans | -96.6 | 129.5 | -177.3 | -53.9 | 157.8 | 0 | 0 | 0 | 108.4 | F854 T893 M930 L937 L940 | F854-I932 HydrophobicContact CD1-CG1 4.43Å; F854-I932 HydrophobicContact CE1-CD1 3.7Å; F854-I932 HydrophobicContact CE1-CG1 3.83Å; F854-I932 HydrophobicContact CE1-CG2 4.47Å; F854-I932 HydrophobicContact CZ-CD1 4.41Å; T893-I932 HydrophobicContact CG2-CD1 3.55Å; M930-I932 HydrophobicContact CB-CG1 4.5Å; M930-I932 PolarHBondContact O-N 3.2Å; I932-L937 HydrophobicContact CB-CD1 3.93Å; I932-L937 HydrophobicContact CG2-CD1 3.56Å; I932-L940 HydrophobicContact CD1-CD2 4.21Å; I932-L940 HydrophobicContact CG2-CD2 4.2Å | ||
| 933 | N | 42.4 | Very low | 45.4 | Very low | 78 Ų | 78 | 95.9 Ų | 95.9 | 42% | 0.417 | 52% | 0.521 | S | S | . | . | trans | -65.2 | 125.9 | 177.6 | 174.7 | -10.9 | 0 | 0 | 0 | 109.9 | L935 F936 | N933-L935 PolarHBondContact O-N 3.32Å; N933-L935 PolarHBondContact OD1-N 3.45Å; N933-L935 VanDerWaalsContact OD1-N 3.08Å; N933-F936 HydrophobicContact CB-CD2 3.91Å; N933-F936 HydrophobicContact CB-CE2 4.26Å; N933-F936 PolarHBondContact O-N 3.07Å | ||
| 934 | P | 46.7 | Very low | 47.8 | Very low | 86 Ų | 86 | 83.6 Ų | 83.6 | 56% | 0.558 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -53.7 | -25.6 | -178 | -29.6 | 36.3 | 0 | 0 | 0 | 115.9 | F936 L937 | P934-F936 VanDerWaalsContact C-N 3.26Å; P934-F936 PolarHBondContact O-N 3.12Å; P934-L937 WeakPolarHBondContact O-CB 3.39Å; P934-L937 PolarHBondContact O-N 3.34Å |
| 935 | L | 48.8 | Very low | 49.8 | Very low | 142 Ų | 142 | 82.3 Ų | 82.3 | 74% | 0.743 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -63.4 | -30.1 | 177.4 | -75.1 | 160.8 | 0 | 0 | 0 | 113.2 | N933 | N933-L935 PolarHBondContact O-N 3.32Å; N933-L935 PolarHBondContact OD1-N 3.45Å; N933-L935 VanDerWaalsContact OD1-N 3.08Å |
| 936 | F | 53 | Low | 51.7 | Low | 93 Ų | 93 | 76.4 Ų | 76.4 | 41% | 0.408 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -97.2 | -4.7 | -177.5 | -56.5 | -55.3 | 0 | 0 | 0 | 113.5 | H856 N933 P934 L940 | H856-F936 HydrophobicContact CB-CD1 4.48Å; H856-F936 AromaticContact CD2-CD1 3.48Å; H856-F936 VanDerWaalsContact CD2-CD1 3.48Å; H856-F936 WeakPolarHBondContact CD2-CD1 3.48Å; H856-F936 AromaticContact CG-CD1 3.78Å; H856-F936 AromaticContact NE2-CD1 3.64Å; N933-F936 HydrophobicContact CB-CD2 3.91Å; N933-F936 HydrophobicContact CB-CE2 4.26Å; N933-F936 PolarHBondContact O-N 3.07Å; P934-F936 VanDerWaalsContact C-N 3.26Å; P934-F936 PolarHBondContact O-N 3.12Å; F936-L940 WeakPolarHBondContact O-CB 3.35Å; F936-L940 PolarHBondContact O-N 3.38Å |
| 937 | L | 58.3 | Low | 53.6 | Low | 24 Ų | 24 | 69.5 Ų | 69.5 | 13% | 0.126 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -57.6 | -44.6 | -179.1 | -121.5 | 69.7 | 0 | 0 | 0 | 113.7 | T893 A897 I932 P934 C941 | T893-L937 HydrophobicContact CG2-CD1 3.97Å; T893-L937 HydrophobicContact CG2-CG 4.18Å; A897-L937 HydrophobicContact CB-CD2 3.9Å; I932-L937 HydrophobicContact CB-CD1 3.93Å; I932-L937 HydrophobicContact CG2-CD1 3.56Å; P934-L937 WeakPolarHBondContact O-CB 3.39Å; P934-L937 PolarHBondContact O-N 3.34Å; L937-C941 WeakPolarHBondContact O-CB 3.27Å; L937-C941 PolarHBondContact O-N 2.92Å; L937-C941 PolarHBondContact O-SG 3.14Å |
| 938 | P | 56.5 | Low | 55.5 | Low | 84 Ų | 84 | 66.1 Ų | 66.1 | 55% | 0.545 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.9 | -51.2 | -176 | -24.5 | 35.3 | 0 | 0 | 0 | 113 | C941 C942 | P938-C941 PolarHBondContact O-N 3.24Å; P938-C942 PolarHBondContact O-N 3.04Å; P938-C942 PolarHBondContact O-SG 3.13Å |
| 939 | A | 60 | Low | 56.8 | Low | 47 Ų | 47 | 61.5 Ų | 61.5 | 39% | 0.388 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.2 | -42 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | H856 C941 C942 E943 | H856-A939 WeakPolarHBondContact NE2-CB 3.38Å; A939-C941 VanDerWaalsContact C-N 3.3Å; A939-C941 PolarHBondContact O-N 3.05Å; A939-C942 WeakPolarHBondContact O-CB 3.4Å; A939-C942 PolarHBondContact O-N 3.48Å; A939-E943 WeakPolarHBondContact O-CG 3.42Å; A939-E943 PolarHBondContact O-N 2.83Å |
| 940 | L | 63.9 | Low | 58.6 | Low | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.2 | -45.2 | 171.9 | 179.4 | 71 | 0 | 0 | 0 | 111.4 | F853 F854 I932 F936 M944 | F853-L940 HydrophobicContact CB-CD1 3.95Å; F853-L940 WeakPolarHBondContact O-CD1 3.37Å; F854-L940 HydrophobicContact CD1-CD1 4.03Å; F854-L940 HydrophobicContact CD1-CD2 3.88Å; F854-L940 HydrophobicContact CD2-CD1 4.29Å; F854-L940 HydrophobicContact CE1-CD1 3.96Å; F854-L940 HydrophobicContact CE1-CD2 3.37Å; F854-L940 HydrophobicContact CE1-CG 4.33Å; F854-L940 HydrophobicContact CE2-CD1 4.22Å; F854-L940 HydrophobicContact CG-CD1 4.21Å; F854-L940 HydrophobicContact CZ-CD1 4.06Å; F854-L940 HydrophobicContact CZ-CD2 3.96Å; I932-L940 HydrophobicContact CD1-CD2 4.21Å; I932-L940 HydrophobicContact CG2-CD2 4.2Å; F936-L940 WeakPolarHBondContact O-CB 3.35Å; F936-L940 PolarHBondContact O-N 3.38Å; L940-M944 HydrophobicContact CD1-CG 4.44Å; L940-M944 HydrophobicContact CD1-SD 3.93Å; L940-M944 HydrophobicContact CG-SD 3.92Å; L940-M944 WeakPolarHBondContact O-CB 3.28Å; L940-M944 WeakPolarHBondContact O-CG 3.39Å; L940-M944 PolarHBondContact O-N 3.24Å |
| 941 | C | 65.1 | Low | 60.2 | Low | 28 Ų | 28 | 53.2 Ų | 53.2 | 19% | 0.189 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 177.6 | -67.9 | 0 | 0 | 0 | 0 | 111.8 | L890 L937 P938 A939 M944 I945 | L890-C941 HydrophobicContact CD2-CB 4.06Å; L937-C941 WeakPolarHBondContact O-CB 3.27Å; L937-C941 PolarHBondContact O-N 2.92Å; L937-C941 PolarHBondContact O-SG 3.14Å; P938-C941 PolarHBondContact O-N 3.24Å; A939-C941 VanDerWaalsContact C-N 3.3Å; A939-C941 PolarHBondContact O-N 3.05Å; C941-M944 PolarHBondContact O-N 3.25Å; C941-I945 HydrophobicContact CB-CD1 4.47Å; C941-I945 VanDerWaalsContact O-CB 3.29Å; C941-I945 WeakPolarHBondContact O-CB 3.4Å; C941-I945 WeakPolarHBondContact O-CD1 3.49Å; C941-I945 WeakPolarHBondContact O-CG1 3.34Å; C941-I945 PolarHBondContact O-N 3.42Å |
| 942 | C | 65.6 | Low | 61.5 | Low | 72 Ų | 72 | 46 Ų | 46 | 49% | 0.486 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.9 | -49.9 | 176.1 | -69.4 | 0 | 0 | 0 | 0 | 112.3 | P938 A939 M944 I945 A946 | P938-C942 PolarHBondContact O-N 3.04Å; P938-C942 PolarHBondContact O-SG 3.13Å; A939-C942 WeakPolarHBondContact O-CB 3.4Å; A939-C942 PolarHBondContact O-N 3.48Å; C942-M944 PolarHBondContact O-N 3.5Å; C942-I945 PolarHBondContact O-N 3.29Å; C942-A946 WeakPolarHBondContact O-CB 3.46Å; C942-A946 PolarHBondContact O-N 2.83Å |
| 943 | E | 70.6 | Confident | 62.3 | Low | 60 Ų | 60 | 49.2 Ų | 49.2 | 28% | 0.28 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 177.7 | -69.1 | -75.7 | 128.5 | 0 | 0 | 111.8 | F853 S862 H866 A939 A946 S947 | F853-E943 HydrophobicContact CD1-CB 3.85Å; F853-E943 HydrophobicContact CD1-CG 4.43Å; F853-E943 HydrophobicContact CE1-CB 4.09Å; S862-E943 WeakPolarHBondContact CB-OE2 3.3Å; S862-E943 PolarHBondContact OG-OE2 3.17Å; H866-E943 VanDerWaalsContact NE2-CA 3.33Å; H866-E943 WeakPolarHBondContact NE2-CA 3.29Å; H866-E943 PolarHBondContact NE2-O 3.45Å; H866-E943 IonicContact NE2-OE2 3.6Å; H866-E943 PolarHBondContact NE2-OE2 3.4Å; A939-E943 WeakPolarHBondContact O-CG 3.42Å; A939-E943 PolarHBondContact O-N 2.83Å; E943-A946 PolarHBondContact O-N 2.95Å; E943-S947 PolarHBondContact O-N 3.23Å; E943-S947 PolarHBondContact O-OG 3.14Å |
| 944 | M | 72 | Confident | 63.3 | Low | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.1 | -35.1 | 179.3 | -65.8 | -177.1 | 71.7 | 0 | 0 | 112.5 | F886 I889 L890 L940 C941 C942 S947 L948 | F886-M944 HydrophobicContact CB-CE 3.98Å; F886-M944 HydrophobicContact CD1-CE 3.56Å; F886-M944 HydrophobicContact CE1-CE 4.41Å; F886-M944 HydrophobicContact CG-CE 4.11Å; I889-M944 HydrophobicContact CB-CE 3.64Å; I889-M944 HydrophobicContact CD1-CE 3.91Å; I889-M944 HydrophobicContact CG1-CE 4.38Å; I889-M944 HydrophobicContact CG2-CE 3.58Å; I889-M944 HydrophobicContact CG2-SD 3.78Å; L890-M944 HydrophobicContact CD1-CB 4.48Å; L890-M944 HydrophobicContact CD2-CB 4.3Å; L940-M944 HydrophobicContact CD1-CG 4.44Å; L940-M944 HydrophobicContact CD1-SD 3.93Å; L940-M944 HydrophobicContact CG-SD 3.92Å; L940-M944 WeakPolarHBondContact O-CB 3.28Å; L940-M944 WeakPolarHBondContact O-CG 3.39Å; L940-M944 PolarHBondContact O-N 3.24Å; C941-M944 PolarHBondContact O-N 3.25Å; C942-M944 PolarHBondContact O-N 3.5Å; M944-S947 WeakPolarHBondContact O-CB 3.39Å; M944-L948 WeakPolarHBondContact O-CG 3.31Å; M944-L948 PolarHBondContact O-N 2.7Å |
| 945 | I | 68.5 | Low | 64.3 | Low | 72 Ų | 72 | 45 Ų | 45 | 37% | 0.369 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -70.5 | -36.9 | 173.2 | -70.3 | 164.8 | 0 | 0 | 0 | 111 | L890 C941 C942 L948 T949 | L890-I945 HydrophobicContact CD1-CG1 4.31Å; C941-I945 HydrophobicContact CB-CD1 4.47Å; C941-I945 VanDerWaalsContact O-CB 3.29Å; C941-I945 WeakPolarHBondContact O-CB 3.4Å; C941-I945 WeakPolarHBondContact O-CD1 3.49Å; C941-I945 WeakPolarHBondContact O-CG1 3.34Å; C941-I945 PolarHBondContact O-N 3.42Å; C942-I945 PolarHBondContact O-N 3.29Å; I945-L948 PolarHBondContact O-N 3.05Å; I945-T949 VanDerWaalsContact O-CB 3.25Å; I945-T949 WeakPolarHBondContact O-CB 3.42Å; I945-T949 PolarHBondContact O-N 3.18Å; I945-T949 PolarHBondContact O-OG1 2.98Å |
| 946 | A | 66.7 | Low | 64.5 | Low | 37 Ų | 37 | 41.2 Ų | 41.2 | 31% | 0.306 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.7 | -42 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | C942 E943 T950 | C942-A946 WeakPolarHBondContact O-CB 3.46Å; C942-A946 PolarHBondContact O-N 2.83Å; E943-A946 PolarHBondContact O-N 2.95Å; A946-T950 WeakPolarHBondContact O-CB 3.35Å; A946-T950 PolarHBondContact O-N 3.3Å; A946-T950 PolarHBondContact O-OG1 3.25Å |
| 947 | S | 69.6 | Low | 64.6 | Low | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.6 | -53.7 | 169 | -77.1 | 0 | 0 | 0 | 0 | 111.8 | F853 H866 E943 M944 T949 T950 L951 | F853-S947 WeakPolarHBondContact CZ-OG 3.37Å; H866-S947 WeakPolarHBondContact CE1-CA 3.36Å; H866-S947 WeakPolarHBondContact CE1-CB 3.31Å; H866-S947 PolarHBondContact CE1-OG 2.8Å; H866-S947 PolarHBondContact ND1-OG 2.79Å; H866-S947 PolarHBondContact NE2-OG 3.1Å; H866-S947 VanDerWaalsContact NE2-OG 3.15Å; E943-S947 PolarHBondContact O-N 3.23Å; E943-S947 PolarHBondContact O-OG 3.14Å; M944-S947 WeakPolarHBondContact O-CB 3.39Å; S947-T949 PolarHBondContact O-N 2.76Å; S947-T950 PolarHBondContact O-N 3.14Å; S947-L951 WeakPolarHBondContact O-CG 3.35Å; S947-L951 PolarHBondContact O-N 2.89Å |
| 948 | L | 71.7 | Confident | 64.6 | Low | 17 Ų | 17 | 41.6 Ų | 41.6 | 9% | 0.089 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.8 | -40.8 | -178.6 | -76.5 | 169.9 | 0 | 0 | 0 | 112.6 | I883 F886 L887 L890 M944 I945 T950 L951 A952 F959 | I883-L948 HydrophobicContact CG1-CD2 4.43Å; I883-L948 HydrophobicContact CG2-CD2 4.28Å; F886-L948 HydrophobicContact CB-CD1 4.05Å; F886-L948 HydrophobicContact CB-CD2 4.05Å; F886-L948 HydrophobicContact CB-CG 4.08Å; F886-L948 HydrophobicContact CD2-CD2 4.11Å; F886-L948 HydrophobicContact CD2-CG 4.19Å; L887-L948 HydrophobicContact CD2-CD1 3.87Å; L887-L948 HydrophobicContact CG-CD1 4.34Å; L890-L948 HydrophobicContact CD1-CD1 3.66Å; M944-L948 WeakPolarHBondContact O-CG 3.31Å; M944-L948 PolarHBondContact O-N 2.7Å; I945-L948 PolarHBondContact O-N 3.05Å; L948-T950 PolarHBondContact O-N 3.25Å; L948-L951 PolarHBondContact O-N 3.23Å; L948-A952 WeakPolarHBondContact O-CB 3.49Å; L948-A952 PolarHBondContact O-N 2.7Å; L948-F959 HydrophobicContact CD2-CE1 4.35Å; L948-F959 HydrophobicContact CD2-CZ 4.33Å |
| 949 | T | 63.1 | Low | 64.5 | Low | 11 Ų | 11 | 38.8 Ų | 38.8 | 7% | 0.067 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.9 | -42.6 | 175 | -63.4 | 0 | 0 | 0 | 0 | 111.5 | I945 S947 L951 A952 K953 P1044 A1048 | I945-T949 VanDerWaalsContact O-CB 3.25Å; I945-T949 WeakPolarHBondContact O-CB 3.42Å; I945-T949 PolarHBondContact O-N 3.18Å; I945-T949 PolarHBondContact O-OG1 2.98Å; S947-T949 PolarHBondContact O-N 2.76Å; T949-L951 VanDerWaalsContact C-N 3.34Å; T949-L951 PolarHBondContact O-N 3.42Å; T949-A952 PolarHBondContact O-N 2.79Å; T949-K953 HydrophobicContact CG2-CD 4.39Å; T949-K953 WeakPolarHBondContact O-CG 3.36Å; T949-K953 PolarHBondContact O-N 2.95Å; T949-P1044 HydrophobicContact CG2-CB 4.21Å; T949-A1048 HydrophobicContact CG2-CB 4.05Å |
| 950 | T | 68.9 | Low | 63.6 | Low | 52 Ų | 52 | 39.1 Ų | 39.1 | 32% | 0.319 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.9 | -41.6 | 175.9 | -58.3 | 0 | 0 | 0 | 0 | 111 | K870 A946 S947 L948 I954 | K870-T950 HydrophobicContact CD-CG2 4.46Å; A946-T950 WeakPolarHBondContact O-CB 3.35Å; A946-T950 PolarHBondContact O-N 3.3Å; A946-T950 PolarHBondContact O-OG1 3.25Å; S947-T950 PolarHBondContact O-N 3.14Å; L948-T950 PolarHBondContact O-N 3.25Å; T950-I954 HydrophobicContact CG2-CD1 4.02Å; T950-I954 VanDerWaalsContact O-CD1 3.27Å; T950-I954 WeakPolarHBondContact O-CD1 3.41Å; T950-I954 VanDerWaalsContact O-CG1 3.26Å; T950-I954 WeakPolarHBondContact O-CG1 3.29Å; T950-I954 PolarHBondContact O-N 3.48Å |
| 951 | L | 69.4 | Low | 62.3 | Low | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.8 | -38.2 | 176.1 | -66.1 | 177.3 | 0 | 0 | 0 | 112.6 | C873 I883 S947 L948 T949 I954 F955 F959 | C873-L951 HydrophobicContact CB-CD2 3.5Å; C873-L951 VanDerWaalsContact CB-CD2 3.5Å; C873-L951 VanDerWaalsContact SG-CD2 3.52Å; I883-L951 HydrophobicContact CG1-CD1 4.17Å; S947-L951 WeakPolarHBondContact O-CG 3.35Å; S947-L951 PolarHBondContact O-N 2.89Å; L948-L951 PolarHBondContact O-N 3.23Å; T949-L951 VanDerWaalsContact C-N 3.34Å; T949-L951 PolarHBondContact O-N 3.42Å; L951-I954 PolarHBondContact O-N 2.98Å; L951-F955 HydrophobicContact CD2-CD2 4.39Å; L951-F955 HydrophobicContact CD2-CE2 4.4Å; L951-F955 PolarHBondContact O-N 3.36Å; L951-F959 HydrophobicContact CB-CE2 4.25Å; L951-F959 HydrophobicContact CB-CZ 4.26Å |
| 952 | A | 64.3 | Low | 60.8 | Low | 15 Ų | 15 | 44.1 Ų | 44.1 | 12% | 0.124 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.1 | -40 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L948 T949 I954 F959 | L948-A952 WeakPolarHBondContact O-CB 3.49Å; L948-A952 PolarHBondContact O-N 2.7Å; T949-A952 PolarHBondContact O-N 2.79Å; A952-I954 PolarHBondContact O-N 3.39Å; A952-F959 VanDerWaalsContact CA-CE2 3.42Å; A952-F959 HydrophobicContact CB-CD2 4.05Å; A952-F959 HydrophobicContact CB-CE1 4.39Å; A952-F959 HydrophobicContact CB-CE2 3.81Å; A952-F959 HydrophobicContact CB-CG 4.47Å; A952-F959 HydrophobicContact CB-CZ 3.98Å |
| 953 | K | 62.2 | Low | 59.2 | Low | 106 Ų | 106 | 44.4 Ų | 44.4 | 46% | 0.461 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.9 | -20.6 | 174.6 | -74.3 | -177.8 | 176.7 | -173.7 | 0 | 113.9 | T949 E1047 I1051 | T949-K953 HydrophobicContact CG2-CD 4.39Å; T949-K953 WeakPolarHBondContact O-CG 3.36Å; T949-K953 PolarHBondContact O-N 2.95Å; K953-E1047 IonicContact NZ-OE2 3.32Å; K953-E1047 PolarHBondContact NZ-OE2 3.15Å; K953-I1051 HydrophobicContact CG-CD1 4.39Å |
| 954 | I | 64.9 | Low | 57.2 | Low | 53 Ų | 53 | 45.4 Ų | 45.4 | 27% | 0.272 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -104.3 | -37.6 | -176.7 | -62.1 | 166.4 | 0 | 0 | 0 | 111.9 | K870 T950 L951 A952 P956 | K870-I954 HydrophobicContact CD-CD1 3.5Å; K870-I954 VanDerWaalsContact CD-CD1 3.5Å; K870-I954 HydrophobicContact CG-CD1 3.72Å; T950-I954 HydrophobicContact CG2-CD1 4.02Å; T950-I954 VanDerWaalsContact O-CD1 3.27Å; T950-I954 WeakPolarHBondContact O-CD1 3.41Å; T950-I954 VanDerWaalsContact O-CG1 3.26Å; T950-I954 WeakPolarHBondContact O-CG1 3.29Å; T950-I954 PolarHBondContact O-N 3.48Å; L951-I954 PolarHBondContact O-N 2.98Å; A952-I954 PolarHBondContact O-N 3.39Å; I954-P956 VanDerWaalsContact C-CD 3.42Å; I954-P956 WeakPolarHBondContact O-CD 3.44Å |
| 955 | F | 66.6 | Low | 55.1 | Low | 23 Ų | 23 | 51.6 Ų | 51.6 | 10% | 0.101 | 33% | 0.332 | C | S | . | . | trans | -125.7 | 58.9 | -176 | -54.9 | -68.7 | 0 | 0 | 0 | 111.6 | C873 Y874 L951 T957 A958 | C873-F955 HydrophobicContact CB-CD2 4.47Å; C873-F955 HydrophobicContact CB-CE2 3.84Å; C873-F955 WeakPolarHBondContact O-CE2 3.4Å; C873-F955 WeakPolarHBondContact O-CZ 3.33Å; Y874-F955 HydrophobicContact CD1-CE1 4.24Å; Y874-F955 HydrophobicContact CD1-CZ 4.02Å; Y874-F955 HydrophobicContact CD2-CZ 4.25Å; Y874-F955 HydrophobicContact CE1-CE1 4.43Å; Y874-F955 HydrophobicContact CE1-CZ 4.26Å; Y874-F955 HydrophobicContact CE2-CZ 4.5Å; Y874-F955 HydrophobicContact CG-CZ 4.03Å; L951-F955 HydrophobicContact CD2-CD2 4.39Å; L951-F955 HydrophobicContact CD2-CE2 4.4Å; L951-F955 PolarHBondContact O-N 3.36Å; F955-T957 PolarHBondContact O-N 3.47Å; F955-A958 HydrophobicContact CB-CB 3.94Å; F955-A958 VanDerWaalsContact O-CB 3.29Å; F955-A958 WeakPolarHBondContact O-CB 3.41Å; F955-A958 PolarHBondContact O-N 3.37Å | ||
| 956 | P | 53.6 | Low | 53.1 | Low | 62 Ų | 62 | 54.5 Ų | 54.5 | 40% | 0.403 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57.6 | -35.4 | -176.7 | 22.8 | -33.7 | 0 | 0 | 0 | 112.7 | I954 A958 F959 F960 | I954-P956 VanDerWaalsContact C-CD 3.42Å; I954-P956 WeakPolarHBondContact O-CD 3.44Å; P956-A958 PolarHBondContact O-N 3.16Å; P956-F959 PolarHBondContact O-N 3.24Å; P956-F960 PolarHBondContact O-N 3.11Å; P956-F960 VanDerWaalsContact O-N 3.16Å |
| 957 | T | 55.2 | Low | 51.2 | Low | 89 Ų | 89 | 57.6 Ų | 57.6 | 55% | 0.546 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.7 | -15.7 | 174.9 | 54 | 0 | 0 | 0 | 0 | 114.6 | F955 | F955-T957 PolarHBondContact O-N 3.47Å |
| 958 | A | 58 | Low | 49.3 | Very low | 36 Ų | 36 | 63.7 Ų | 63.7 | 30% | 0.298 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -82.7 | -17.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | I883 F955 P956 | I883-A958 HydrophobicContact CD1-CB 4.38Å; F955-A958 HydrophobicContact CB-CB 3.94Å; F955-A958 VanDerWaalsContact O-CB 3.29Å; F955-A958 WeakPolarHBondContact O-CB 3.41Å; F955-A958 PolarHBondContact O-N 3.37Å; P956-A958 PolarHBondContact O-N 3.16Å |
| 959 | F | 54.3 | Low | 47.3 | Very low | 26 Ų | 26 | 67.7 Ų | 67.7 | 11% | 0.114 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -94.9 | -23.9 | 173.4 | -68.2 | -100.3 | 0 | 0 | 0 | 111.7 | I883 L948 L951 A952 P956 P961 | I883-F959 HydrophobicContact CD1-CD2 4.43Å; I883-F959 HydrophobicContact CD1-CE1 4.47Å; I883-F959 HydrophobicContact CD1-CE2 3.7Å; I883-F959 HydrophobicContact CD1-CZ 3.74Å; I883-F959 HydrophobicContact CG1-CE2 4.49Å; I883-F959 HydrophobicContact CG1-CZ 4.05Å; I883-F959 HydrophobicContact CG2-CE1 4.04Å; I883-F959 HydrophobicContact CG2-CZ 4.25Å; L948-F959 HydrophobicContact CD2-CE1 4.35Å; L948-F959 HydrophobicContact CD2-CZ 4.33Å; L951-F959 HydrophobicContact CB-CE2 4.25Å; L951-F959 HydrophobicContact CB-CZ 4.26Å; A952-F959 VanDerWaalsContact CA-CE2 3.42Å; A952-F959 HydrophobicContact CB-CD2 4.05Å; A952-F959 HydrophobicContact CB-CE1 4.39Å; A952-F959 HydrophobicContact CB-CE2 3.81Å; A952-F959 HydrophobicContact CB-CG 4.47Å; A952-F959 HydrophobicContact CB-CZ 3.98Å; P956-F959 PolarHBondContact O-N 3.24Å; F959-P961 WeakPolarHBondContact O-CD 3.29Å |
| 960 | F | 42.2 | Very low | 45.6 | Very low | 54 Ų | 54 | 72.9 Ų | 72.9 | 24% | 0.237 | 48% | 0.48 | C | S | . | . | trans | -120.8 | 89.9 | 176.4 | -64.5 | -63.9 | 0 | 0 | 0 | 113.2 | P956 G962 L1052 | P956-F960 PolarHBondContact O-N 3.11Å; P956-F960 VanDerWaalsContact O-N 3.16Å; F960-G962 PolarHBondContact O-N 3.15Å; F960-L1052 HydrophobicContact CE2-CD2 3.62Å; F960-L1052 HydrophobicContact CZ-CB 4.21Å; F960-L1052 HydrophobicContact CZ-CD2 3.56Å; F960-L1052 HydrophobicContact CZ-CG 4.5Å; F960-L1052 WeakPolarHBondContact CZ-O 3.43Å | ||
| 961 | P | 35.6 | Very low | 43.8 | Very low | 72 Ų | 72 | 78.5 Ų | 78.5 | 47% | 0.468 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | 66.1 | 177.9 | 33.1 | -36.4 | 0 | 0 | 0 | 112.1 | F959 L1007 | F959-P961 WeakPolarHBondContact O-CD 3.29Å; P961-L1007 HydrophobicContact CG-CB 4Å; P961-L1007 HydrophobicContact CG-CD2 4.19Å |
| 962 | G | 33.7 | Very low | 42 | Very low | 62 Ų | 62 | 82.2 Ų | 82.2 | 64% | 0.639 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -161 | -24.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 117 | F960 A964 | F960-G962 PolarHBondContact O-N 3.15Å; G962-A964 VanDerWaalsContact C-N 3.31Å; G962-A964 PolarHBondContact O-N 3.37Å |
| 963 | A | 31.7 | Very low | 40.2 | Very low | 79 Ų | 79 | 85.5 Ų | 85.5 | 65% | 0.653 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -79.8 | 3.7 | -168.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 964 | A | 29.3 | Very low | 38.8 | Very low | 81 Ų | 81 | 84.9 Ų | 84.9 | 67% | 0.669 | 59% | 0.592 | S | S | * | * | trans | -128.4 | 36.4 | -159.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | G962 | G962-A964 VanDerWaalsContact C-N 3.31Å; G962-A964 PolarHBondContact O-N 3.37Å | ||
| 965 | T | 27.2 | Very low | 37.2 | Very low | 131 Ų | 131 | 88.2 Ų | 88.2 | 80% | 0.804 | 62% | 0.615 | S | S | * | * | trans | -136.1 | 48.2 | 176.6 | 50.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 966 | T | 27.2 | Very low | 35.5 | Very low | 133 Ų | 133 | 95.7 Ų | 95.7 | 82% | 0.816 | 65% | 0.65 | S | S | * | * | trans | -137.3 | 70.9 | 170.8 | 36.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 967 | T | 27.3 | Very low | 34.4 | Very low | 101 Ų | 101 | 101.5 Ų | 101.5 | 62% | 0.62 | 67% | 0.672 | S | S | * | * | trans | -83.4 | 128.4 | 157.9 | 53 | 0 | 0 | 0 | 0 | 109.2 | A969 | T967-A969 PolarHBondContact O-N 3.18Š| ||
| 968 | P | 28.1 | Very low | 33.2 | Very low | 131 Ų | 131 | 100.4 Ų | 100.4 | 85% | 0.851 | 68% | 0.678 | S | S | * | * | trans | -68.1 | 118.5 | -175.1 | 26.8 | -33.9 | 0 | 0 | 0 | 111.1 | ||||
| 969 | A | 30 | Very low | 32 | Very low | 102 Ų | 102 | 108.1 Ų | 108.1 | 84% | 0.843 | 71% | 0.705 | S | S | * | * | trans | -88.8 | 107.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | T967 | T967-A969 PolarHBondContact O-N 3.18Š| ||
| 970 | S | 29 | Very low | 30.8 | Very low | 119 Ų | 119 | 116.9 Ų | 116.9 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | trans | -82.8 | 113.6 | 171.7 | 177.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 971 | E | 30.7 | Very low | 30.4 | Very low | 171 Ų | 171 | 119.3 Ų | 119.3 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | trans | -136.8 | 139.7 | 153.5 | -70.5 | -163.9 | 150.7 | 0 | 0 | 109 | ||||
| 972 | G | 31 | Very low | 30.1 | Very low | 80 Ų | 80 | 121.9 Ų | 121.9 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -78.5 | 149.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 973 | G | 27 | Very low | 29.9 | Very low | 85 Ų | 85 | 125.2 Ų | 125.2 | 88% | 0.876 | 79% | 0.786 | S | S | * | * | trans | -85 | 153.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 974 | A | 32 | Very low | 29.7 | Very low | 93 Ų | 93 | 125.1 Ų | 125.1 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -149.2 | 113.8 | 155.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 975 | T | 31.1 | Very low | 29.9 | Very low | 123 Ų | 123 | 128.9 Ų | 128.9 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | 31.6 | 126.3 | 146.3 | 49.8 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 976 | E | 31.7 | Very low | 30 | Very low | 179 Ų | 179 | 131.6 Ų | 131.6 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | trans | 91.2 | 120.3 | 132.3 | -70.6 | 177.5 | 177.8 | 0 | 0 | 122.9 | ||||
| 977 | E | 31.2 | Very low | 30.2 | Very low | 185 Ų | 185 | 129 Ų | 129 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | 44.6 | 120.4 | 142 | -54.6 | -146.3 | 150.2 | 0 | 0 | 123.3 | ||||
| 978 | G | 29.1 | Very low | 30.4 | Very low | 66 Ų | 66 | 129.6 Ų | 129.6 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | 120.4 | 109.6 | 101.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 979 | K | 33.2 | Very low | 30.5 | Very low | 197 Ų | 197 | 128.2 Ų | 128.2 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | trans | 66.1 | 95.5 | 145.4 | -62.2 | 166.6 | -177.3 | 153.1 | 0 | 120.4 | ||||
| 980 | K | 28.2 | Very low | 30.5 | Very low | 210 Ų | 210 | 128.6 Ų | 128.6 | 91% | 0.913 | 78% | 0.781 | S | S | * | * | 67.5 | 162.2 | 123.1 | -82.6 | -165.1 | 171.2 | -178.2 | 0 | 119.8 | |||||
| 981 | P | 33.5 | Very low | 30.6 | Very low | 105 Ų | 105 | 129.6 Ų | 129.6 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | trans | -123.8 | 177.6 | -146.9 | 40.9 | -27 | 0 | 0 | 0 | 115.2 | ||||
| 982 | T | 29.3 | Very low | 30.5 | Very low | 127 Ų | 127 | 126 Ų | 126 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | 164.7 | 133.1 | 122.7 | 37.5 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 983 | V | 29.6 | Very low | 30.2 | Very low | 131 Ų | 131 | 125.7 Ų | 125.7 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | 64.5 | 112.8 | 133.7 | -178.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 984 | A | 28.8 | Very low | 30.3 | Very low | 78 Ų | 78 | 127.8 Ų | 127.8 | 65% | 0.645 | 78% | 0.776 | S | S | * | * | trans | 67 | 163.5 | 145.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 985 | H | 32.4 | Very low | 30.1 | Very low | 159 Ų | 159 | 130.7 Ų | 130.7 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | cis | -160.8 | 152.9 | 25 | -115.6 | -49.4 | 0 | 0 | 0 | 112.8 | ||||
| 986 | K | 30.6 | Very low | 30 | Very low | 188 Ų | 188 | 129.3 Ų | 129.3 | 82% | 0.817 | 79% | 0.785 | S | S | * | * | trans | 66.9 | 158.4 | 148.7 | -70 | 175.8 | 179.5 | 176.3 | 0 | 118.7 | ||||
| 987 | A | 30.4 | Very low | 29.7 | Very low | 79 Ų | 79 | 125.5 Ų | 125.5 | 65% | 0.653 | 78% | 0.778 | S | S | * | * | cis | -170.2 | 168.9 | -22.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 988 | S | 31.4 | Very low | 29.4 | Very low | 114 Ų | 114 | 123.1 Ų | 123.1 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | 66.8 | 146 | 155.9 | 37.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 989 | S | 29.9 | Very low | 29.4 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | cis | -173.8 | 156.9 | -13.3 | 47.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 990 | S | 30.8 | Very low | 29.3 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | 72.6 | 151.4 | 158.3 | 82.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 991 | V | 30.5 | Very low | 29.5 | Very low | 140 Ų | 140 | 125.3 Ų | 125.3 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | cis | -167.6 | 159.1 | -12.2 | 122.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 992 | A | 28.9 | Very low | 29.6 | Very low | 94 Ų | 94 | 123.9 Ų | 123.9 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | cis | -174.8 | 143.2 | -40.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 993 | G | 25.7 | Very low | 29.9 | Very low | 75 Ų | 75 | 121 Ų | 121 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | -177.3 | 157.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 994 | P | 27.7 | Very low | 30.3 | Very low | 129 Ų | 129 | 122.1 Ų | 122.1 | 84% | 0.838 | 75% | 0.746 | S | S | * | * | trans | -122.2 | 135.6 | -159.1 | 37.7 | -23.2 | 0 | 0 | 0 | 117 | ||||
| 995 | T | 28.8 | Very low | 30.7 | Very low | 154 Ų | 154 | 124.7 Ų | 124.7 | 95% | 0.945 | 75% | 0.745 | S | S | * | * | trans | -140.7 | 170.6 | 160.9 | 49.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 996 | A | 28.9 | Very low | 30.9 | Very low | 94 Ų | 94 | 122 Ų | 122 | 78% | 0.777 | 73% | 0.732 | S | S | * | * | trans | -123.5 | 162 | -150.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 997 | S | 26.1 | Very low | 31.1 | Very low | 98 Ų | 98 | 115.9 Ų | 115.9 | 69% | 0.685 | 71% | 0.708 | S | S | * | * | trans | -38.5 | 153.9 | 157.7 | 48.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 998 | D | 24.9 | Very low | 31.5 | Very low | 136 Ų | 136 | 116.7 Ų | 116.7 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | cis | -145.4 | 151.2 | 5.3 | -90.2 | -44.3 | 0 | 0 | 0 | 110.2 | ||||
| 999 | N | 28.7 | Very low | 31.9 | Very low | 165 Ų | 165 | 113.5 Ų | 113.5 | 88% | 0.882 | 68% | 0.679 | S | S | * | * | trans | -159.1 | 101.7 | 156.8 | -99.1 | -38.8 | 0 | 0 | 0 | 108.9 | ||||
| 1000 | Q | 30.8 | Very low | 32.1 | Very low | 188 Ų | 188 | 111.7 Ų | 111.7 | 88% | 0.879 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 127.8 | 177.4 | -72.1 | 179.5 | -13.5 | 0 | 0 | 110.3 | ||
| 1001 | L | 31.8 | Very low | 32.5 | Very low | 166 Ų | 166 | 107.9 Ų | 107.9 | 87% | 0.869 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 127.4 | 173.8 | -70 | 159.7 | 0 | 0 | 0 | 109 | T1003 | L1001-T1003 PolarHBondContact O-N 3.24Š|
| 1002 | V | 35.1 | Very low | 33.2 | Very low | 75 Ų | 75 | 105.6 Ų | 105.6 | 46% | 0.455 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -54.7 | 124.5 | 169.9 | 164.8 | 0 | 0 | 0 | 0 | 109 | E1006 | V1002-E1006 HydrophobicContact CG1-CB 3.91Å; V1002-E1006 HydrophobicContact CG1-CG 4.39Å; V1002-E1006 WeakPolarHBondContact CG1-OE2 3.15Å |
| 1003 | T | 36.7 | Very low | 33.9 | Very low | 66 Ų | 66 | 105.6 Ų | 105.6 | 41% | 0.405 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -74.7 | 155.8 | -178.7 | 65.5 | 0 | 0 | 0 | 0 | 111 | L1001 E1005 E1006 | L1001-T1003 PolarHBondContact O-N 3.24Å; T1003-E1005 WeakPolarHBondContact CB-OE2 3.27Å; T1003-E1005 PolarHBondContact O-N 3Å; T1003-E1005 VanDerWaalsContact O-N 3.09Å; T1003-E1005 PolarHBondContact OG1-OE2 3.27Å; T1003-E1006 PolarHBondContact O-N 2.86Å; T1003-E1006 VanDerWaalsContact O-N 3.1Å |
| 1004 | K | 36.6 | Very low | 34.8 | Very low | 154 Ų | 154 | 104.6 Ų | 104.6 | 67% | 0.67 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -52.2 | -31.1 | 176.6 | -173.2 | 170.1 | 179.3 | -76.1 | 0 | 112.4 | E1006 L1007 E1008 | K1004-E1006 PolarHBondContact O-N 3.19Å; K1004-L1007 PolarHBondContact O-N 3.31Å; K1004-E1008 IonicContact NZ-OE1 3.77Å; K1004-E1008 PolarHBondContact NZ-OE1 2.94Å; K1004-E1008 WeakPolarHBondContact O-CG 3.35Å; K1004-E1008 PolarHBondContact O-N 3.41Å |
| 1005 | E | 38.8 | Very low | 35.8 | Very low | 133 Ų | 133 | 103.5 Ų | 103.5 | 62% | 0.621 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.6 | -35.9 | -180 | -58.1 | 153.1 | 140.3 | 0 | 0 | 112.9 | T1003 E1008 A1009 | T1003-E1005 WeakPolarHBondContact CB-OE2 3.27Å; T1003-E1005 PolarHBondContact O-N 3Å; T1003-E1005 VanDerWaalsContact O-N 3.09Å; T1003-E1005 PolarHBondContact OG1-OE2 3.27Å; E1005-E1008 PolarHBondContact O-N 3.3Å; E1005-A1009 WeakPolarHBondContact O-CB 3.39Å; E1005-A1009 PolarHBondContact O-N 3.24Å |
| 1006 | E | 36.6 | Very low | 37 | Very low | 103 Ų | 103 | 99 Ų | 99 | 48% | 0.481 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -70.8 | -32.2 | 177.5 | -66.6 | -167.5 | 174 | 0 | 0 | 112.4 | V1002 T1003 K1004 L1010 | V1002-E1006 HydrophobicContact CG1-CB 3.91Å; V1002-E1006 HydrophobicContact CG1-CG 4.39Å; V1002-E1006 WeakPolarHBondContact CG1-OE2 3.15Å; T1003-E1006 PolarHBondContact O-N 2.86Å; T1003-E1006 VanDerWaalsContact O-N 3.1Å; K1004-E1006 PolarHBondContact O-N 3.19Å; E1006-L1010 PolarHBondContact O-N 3.12Å |
| 1007 | L | 34.5 | Very low | 38.3 | Very low | 59 Ų | 59 | 98 Ų | 98 | 31% | 0.309 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -75 | -37.6 | 175.6 | -80.3 | 162.9 | 0 | 0 | 0 | 111.5 | P961 K1004 L1010 C1011 | P961-L1007 HydrophobicContact CG-CB 4Å; P961-L1007 HydrophobicContact CG-CD2 4.19Å; K1004-L1007 PolarHBondContact O-N 3.31Å; L1007-L1010 PolarHBondContact O-N 3.35Å; L1007-C1011 PolarHBondContact O-N 3.23Å |
| 1008 | E | 38.9 | Very low | 39.9 | Very low | 95 Ų | 95 | 98.5 Ų | 98.5 | 44% | 0.444 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 169.7 | -72.6 | 171.7 | 177.5 | 0 | 0 | 111.3 | K1004 E1005 L1010 C1011 T1012 | K1004-E1008 IonicContact NZ-OE1 3.77Å; K1004-E1008 PolarHBondContact NZ-OE1 2.94Å; K1004-E1008 WeakPolarHBondContact O-CG 3.35Å; K1004-E1008 PolarHBondContact O-N 3.41Å; E1005-E1008 PolarHBondContact O-N 3.3Å; E1008-L1010 PolarHBondContact O-N 2.88Å; E1008-C1011 PolarHBondContact O-N 2.9Å; E1008-T1012 PolarHBondContact O-N 3.03Å; E1008-T1012 PolarHBondContact O-OG1 2.96Å |
| 1009 | A | 38.7 | Very low | 41.5 | Very low | 47 Ų | 47 | 95.2 Ų | 95.2 | 39% | 0.388 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.2 | -44.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1005 C1011 T1012 T1013 | E1005-A1009 WeakPolarHBondContact O-CB 3.39Å; E1005-A1009 PolarHBondContact O-N 3.24Å; A1009-C1011 PolarHBondContact O-N 3.37Å; A1009-T1012 WeakPolarHBondContact CA-OG1 3.3Å; A1009-T1012 PolarHBondContact O-N 3.38Å; A1009-T1012 PolarHBondContact O-OG1 3.32Å; A1009-T1013 PolarHBondContact O-N 3.13Å; A1009-T1013 PolarHBondContact O-OG1 2.9Å |
| 1010 | L | 34.3 | Very low | 43.3 | Very low | 64 Ų | 64 | 88.5 Ų | 88.5 | 34% | 0.335 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.1 | -43.4 | 173.3 | -102.9 | 161.4 | 0 | 0 | 0 | 112.1 | E1006 L1007 E1008 T1013 L1014 | E1006-L1010 PolarHBondContact O-N 3.12Å; L1007-L1010 PolarHBondContact O-N 3.35Å; E1008-L1010 PolarHBondContact O-N 2.88Å; L1010-T1013 WeakPolarHBondContact O-CB 3.34Å; L1010-T1013 PolarHBondContact O-N 3Å; L1010-T1013 VanDerWaalsContact O-N 3.16Å; L1010-L1014 PolarHBondContact O-N 3.47Å |
| 1011 | C | 39.4 | Very low | 45.2 | Very low | 31 Ų | 31 | 85.3 Ų | 85.3 | 21% | 0.209 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65.4 | -38.5 | 177.6 | -160.8 | 0 | 0 | 0 | 0 | 112.4 | L1007 E1008 A1009 T1013 L1014 K1015 | L1007-C1011 PolarHBondContact O-N 3.23Å; E1008-C1011 PolarHBondContact O-N 2.9Å; A1009-C1011 PolarHBondContact O-N 3.37Å; C1011-T1013 VanDerWaalsContact C-N 3.32Å; C1011-L1014 PolarHBondContact O-N 3.46Å; C1011-K1015 PolarHBondContact O-N 3Å; C1011-K1015 VanDerWaalsContact O-N 3.14Å |
| 1012 | T | 45.3 | Very low | 46.8 | Very low | 92 Ų | 92 | 81.2 Ų | 81.2 | 56% | 0.564 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -68.6 | -29.2 | 172.2 | 57.8 | 0 | 0 | 0 | 0 | 113.1 | E1008 A1009 K1015 D1016 | E1008-T1012 PolarHBondContact O-N 3.03Å; E1008-T1012 PolarHBondContact O-OG1 2.96Å; A1009-T1012 WeakPolarHBondContact CA-OG1 3.3Å; A1009-T1012 PolarHBondContact O-N 3.38Å; A1009-T1012 PolarHBondContact O-OG1 3.32Å; T1012-K1015 PolarHBondContact O-N 3.12Å; T1012-D1016 PolarHBondContact O-N 2.72Å |
| 1013 | T | 43.7 | Very low | 48.4 | Very low | 93 Ų | 93 | 78.5 Ų | 78.5 | 57% | 0.571 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -72 | -34.1 | 176 | -53.4 | 0 | 0 | 0 | 0 | 111.7 | A1009 L1010 C1011 D1016 | A1009-T1013 PolarHBondContact O-N 3.13Å; A1009-T1013 PolarHBondContact O-OG1 2.9Å; L1010-T1013 WeakPolarHBondContact O-CB 3.34Å; L1010-T1013 PolarHBondContact O-N 3Å; L1010-T1013 VanDerWaalsContact O-N 3.16Å; C1011-T1013 VanDerWaalsContact C-N 3.32Å; T1013-D1016 VanDerWaalsContact O-CB 3.28Å; T1013-D1016 WeakPolarHBondContact O-CB 3.31Å; T1013-D1016 PolarHBondContact O-N 2.87Å |
| 1014 | L | 44.1 | Very low | 50.1 | Low | 54 Ų | 54 | 75.8 Ų | 75.8 | 28% | 0.283 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -73.8 | -26.5 | 172.1 | -75.6 | 166.3 | 0 | 0 | 0 | 113.1 | L1010 C1011 D1016 | L1010-L1014 PolarHBondContact O-N 3.47Å; C1011-L1014 PolarHBondContact O-N 3.46Å; L1014-D1016 VanDerWaalsContact C-N 3.29Å |
| 1015 | K | 49.5 | Very low | 51.8 | Low | 106 Ų | 106 | 71.8 Ų | 71.8 | 46% | 0.461 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -5.1 | 170.1 | -75.2 | -164.1 | 167.3 | -146.8 | 0 | 114.3 | C1011 T1012 D1103 | C1011-K1015 PolarHBondContact O-N 3Å; C1011-K1015 VanDerWaalsContact O-N 3.14Å; T1012-K1015 PolarHBondContact O-N 3.12Å; K1015-D1103 IonicContact NZ-OD2 3.59Å; K1015-D1103 PolarHBondContact NZ-OD2 3.49Å |
| 1016 | D | 52.7 | Low | 53.2 | Low | 59 Ų | 59 | 68.2 Ų | 68.2 | 32% | 0.316 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -70.7 | 142.9 | -175.6 | -169.6 | 14.6 | 0 | 0 | 0 | 112.1 | T1012 T1013 L1014 K1018 L1019 | T1012-D1016 PolarHBondContact O-N 2.72Å; T1013-D1016 VanDerWaalsContact O-CB 3.28Å; T1013-D1016 WeakPolarHBondContact O-CB 3.31Å; T1013-D1016 PolarHBondContact O-N 2.87Å; L1014-D1016 VanDerWaalsContact C-N 3.29Å; D1016-K1018 PolarHBondContact O-N 3.43Å; D1016-K1018 IonicContact OD2-NZ 2.76Å; D1016-K1018 PolarHBondContact OD2-NZ 3.1Å; D1016-L1019 PolarHBondContact O-N 2.89Å |
| 1017 | N | 56.7 | Low | 54.9 | Low | 73 Ų | 73 | 63.6 Ų | 63.6 | 39% | 0.39 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.4 | -21.3 | -167.4 | -67.6 | -25.3 | 0 | 0 | 0 | 113.6 | L1019 W1020 E1021 K1106 | N1017-L1019 PolarHBondContact O-N 3.33Å; N1017-W1020 WeakPolarHBondContact O-CB 3.46Å; N1017-W1020 PolarHBondContact O-N 2.88Å; N1017-W1020 VanDerWaalsContact O-N 3.14Å; N1017-E1021 PolarHBondContact O-N 2.92Å; N1017-E1021 VanDerWaalsContact O-N 3.08Å; N1017-K1106 PolarHBondContact OD1-NZ 3.45Å |
| 1018 | K | 60.2 | Low | 56.8 | Low | 110 Ų | 110 | 62.9 Ų | 62.9 | 48% | 0.478 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -56.6 | -34.4 | -177.7 | -54.7 | -170.4 | -174.6 | 80.5 | 0 | 113.4 | D1016 E1021 L1022 | D1016-K1018 PolarHBondContact O-N 3.43Å; D1016-K1018 IonicContact OD2-NZ 2.76Å; D1016-K1018 PolarHBondContact OD2-NZ 3.1Å; K1018-E1021 PolarHBondContact O-N 3.06Å; K1018-L1022 WeakPolarHBondContact O-CB 3.28Å; K1018-L1022 VanDerWaalsContact O-CG 3.28Å; K1018-L1022 WeakPolarHBondContact O-CG 3.49Å; K1018-L1022 PolarHBondContact O-N 2.79Å |
| 1019 | L | 59.2 | Low | 58.2 | Low | 66 Ų | 66 | 67.1 Ų | 67.1 | 35% | 0.346 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -73.9 | -37.2 | -179.4 | -163.9 | 148.8 | 0 | 0 | 0 | 111.6 | D1016 N1017 L1022 L1023 F1049 | D1016-L1019 PolarHBondContact O-N 2.89Å; N1017-L1019 PolarHBondContact O-N 3.33Å; L1019-L1022 PolarHBondContact O-N 3.27Å; L1019-L1023 WeakPolarHBondContact O-CB 3.35Å; L1019-L1023 PolarHBondContact O-N 3.4Å; L1019-F1049 HydrophobicContact CD2-CD2 3.47Å; L1019-F1049 VanDerWaalsContact CD2-CD2 3.47Å; L1019-F1049 HydrophobicContact CD2-CE2 3.6Å |
| 1020 | W | 66.1 | Low | 59.5 | Low | 24 Ų | 24 | 65.9 Ų | 65.9 | 9% | 0.091 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 170.1 | -66.4 | 82.3 | 0 | 0 | 0 | 111.4 | N1017 S1024 F1049 H1053 K1106 F1107 F1110 | N1017-W1020 WeakPolarHBondContact O-CB 3.46Å; N1017-W1020 PolarHBondContact O-N 2.88Å; N1017-W1020 VanDerWaalsContact O-N 3.14Å; W1020-S1024 WeakPolarHBondContact O-CB 3.48Å; W1020-S1024 PolarHBondContact O-N 3.25Å; W1020-F1049 HydrophobicContact CD2-CE2 4.28Å; W1020-F1049 AromaticContact CD2-CZ 3.61Å; W1020-F1049 HydrophobicContact CD2-CZ 3.61Å; W1020-F1049 AromaticContact CE2-CZ 3.72Å; W1020-F1049 HydrophobicContact CE3-CE1 4.12Å; W1020-F1049 AromaticContact CE3-CZ 3.51Å; W1020-F1049 HydrophobicContact CE3-CZ 3.51Å; W1020-F1049 HydrophobicContact CG-CZ 4.32Å; W1020-F1049 HydrophobicContact CH2-CE1 4.02Å; W1020-F1049 AromaticContact CH2-CZ 3.67Å; W1020-F1049 HydrophobicContact CH2-CZ 3.67Å; W1020-F1049 AromaticContact CZ2-CZ 3.78Å; W1020-F1049 HydrophobicContact CZ2-CZ 3.78Å; W1020-F1049 AromaticContact CZ3-CE1 3.78Å; W1020-F1049 HydrophobicContact CZ3-CE1 3.78Å; W1020-F1049 AromaticContact CZ3-CZ 3.52Å; W1020-F1049 HydrophobicContact CZ3-CZ 3.52Å; W1020-H1053 AromaticContact CZ2-CD2 3.54Å; W1020-K1106 HydrophobicContact CH2-CB 4.15Å; W1020-K1106 HydrophobicContact CZ2-CB 4.2Å; W1020-K1106 HydrophobicContact CZ3-CB 4.39Å; W1020-F1107 HydrophobicContact CH2-CB 3.95Å; W1020-F1107 HydrophobicContact CH2-CD2 4.47Å; W1020-F1110 HydrophobicContact CE3-CB 3.73Å; W1020-F1110 HydrophobicContact CE3-CD1 4.49Å; W1020-F1110 AromaticContact CE3-CD2 3.82Å; W1020-F1110 HydrophobicContact CE3-CD2 3.82Å; W1020-F1110 AromaticContact CE3-CG 3.77Å; W1020-F1110 HydrophobicContact CE3-CG 3.77Å; W1020-F1110 HydrophobicContact CZ3-CB 3.53Å; W1020-F1110 HydrophobicContact CZ3-CD1 4.17Å; W1020-F1110 HydrophobicContact CZ3-CD2 4.29Å; W1020-F1110 AromaticContact CZ3-CG 3.76Å; W1020-F1110 HydrophobicContact CZ3-CG 3.76Å |
| 1021 | E | 69.5 | Low | 61.1 | Low | 122 Ų | 122 | 65.3 Ų | 65.3 | 57% | 0.57 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -64.7 | -44.1 | 178.8 | -71.3 | 172.6 | -171.2 | 0 | 0 | 112.4 | N1017 K1018 S1024 T1025 | N1017-E1021 PolarHBondContact O-N 2.92Å; N1017-E1021 VanDerWaalsContact O-N 3.08Å; K1018-E1021 PolarHBondContact O-N 3.06Å; E1021-S1024 PolarHBondContact O-N 3.18Å; E1021-T1025 WeakPolarHBondContact O-CB 3.26Å; E1021-T1025 PolarHBondContact O-N 2.92Å; E1021-T1025 PolarHBondContact O-OG1 3.42Å |
| 1022 | L | 65.7 | Low | 62.4 | Low | 80 Ų | 80 | 70.8 Ų | 70.8 | 42% | 0.419 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.3 | -52.1 | 178.4 | -74.8 | 168.8 | 0 | 0 | 0 | 111.7 | Y894 K1018 L1019 S1024 T1025 C1026 | Y894-L1022 HydrophobicContact CD2-CD1 4.47Å; Y894-L1022 HydrophobicContact CE2-CD1 3.96Å; Y894-L1022 HydrophobicContact CE2-CD2 4.03Å; K1018-L1022 WeakPolarHBondContact O-CB 3.28Å; K1018-L1022 VanDerWaalsContact O-CG 3.28Å; K1018-L1022 WeakPolarHBondContact O-CG 3.49Å; K1018-L1022 PolarHBondContact O-N 2.79Å; L1019-L1022 PolarHBondContact O-N 3.27Å; L1022-S1024 VanDerWaalsContact C-N 3.28Å; L1022-S1024 PolarHBondContact O-N 3.02Å; L1022-T1025 WeakPolarHBondContact O-CB 3.44Å; L1022-T1025 PolarHBondContact O-N 3.42Å; L1022-C1026 PolarHBondContact O-N 3.42Å; L1022-C1026 PolarHBondContact O-SG 3.13Å |
| 1023 | L | 69.9 | Low | 63.1 | Low | 18 Ų | 18 | 68.5 Ų | 68.5 | 9% | 0.094 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.6 | -39.4 | 177.1 | -175.4 | 61.5 | 0 | 0 | 0 | 110.9 | L1019 T1025 C1026 L1027 V1046 F1049 F1110 | L1019-L1023 WeakPolarHBondContact O-CB 3.35Å; L1019-L1023 PolarHBondContact O-N 3.4Å; L1023-T1025 VanDerWaalsContact C-N 3.29Å; L1023-T1025 PolarHBondContact O-N 3.17Å; L1023-C1026 PolarHBondContact O-N 3.08Å; L1023-L1027 HydrophobicContact CD1-CD1 4.33Å; L1023-L1027 HydrophobicContact CD1-CG 4.32Å; L1023-L1027 HydrophobicContact CG-CD1 4.01Å; L1023-L1027 HydrophobicContact CG-CG 4.42Å; L1023-L1027 WeakPolarHBondContact O-CB 3.27Å; L1023-L1027 WeakPolarHBondContact O-CG 3.4Å; L1023-L1027 PolarHBondContact O-N 3.49Å; L1023-V1046 HydrophobicContact CD1-CG2 4.35Å; L1023-F1049 HydrophobicContact CD2-CB 3.64Å; L1023-F1049 HydrophobicContact CD2-CD1 3.75Å; L1023-F1049 HydrophobicContact CD2-CD2 3.69Å; L1023-F1049 HydrophobicContact CD2-CE1 4.38Å; L1023-F1049 HydrophobicContact CD2-CE2 4.32Å; L1023-F1049 HydrophobicContact CD2-CG 3.37Å; L1023-F1110 HydrophobicContact CB-CE2 4.44Å; L1023-F1110 HydrophobicContact CB-CZ 4.48Å; L1023-F1110 HydrophobicContact CD2-CE1 4.48Å; L1023-F1110 HydrophobicContact CD2-CE2 4.34Å; L1023-F1110 HydrophobicContact CD2-CZ 3.65Å; L1023-F1110 HydrophobicContact CG-CE2 4.28Å; L1023-F1110 HydrophobicContact CG-CZ 3.86Å |
| 1024 | S | 71.7 | Confident | 63.6 | Low | 9 Ų | 9 | 72 Ų | 72 | 6% | 0.063 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63 | -33.1 | 173.4 | 177.5 | 0 | 0 | 0 | 0 | 113.1 | W1020 E1021 L1022 S1028 K1113 H1114 | W1020-S1024 WeakPolarHBondContact O-CB 3.48Å; W1020-S1024 PolarHBondContact O-N 3.25Å; E1021-S1024 PolarHBondContact O-N 3.18Å; L1022-S1024 VanDerWaalsContact C-N 3.28Å; L1022-S1024 PolarHBondContact O-N 3.02Å; S1024-S1028 VanDerWaalsContact O-CB 3.29Å; S1024-S1028 WeakPolarHBondContact O-CB 3.39Å; S1024-S1028 PolarHBondContact O-N 3.34Å; S1024-S1028 PolarHBondContact O-OG 2.85Å; S1024-S1028 VanDerWaalsContact O-OG 3.13Å; S1024-K1113 WeakPolarHBondContact OG-CE 3.32Å; S1024-K1113 PolarHBondContact OG-NZ 2.95Å; S1024-H1114 WeakPolarHBondContact CA-NE2 3.01Å; S1024-H1114 VanDerWaalsContact CB-NE2 3.35Å; S1024-H1114 WeakPolarHBondContact CB-NE2 3.39Å; S1024-H1114 PolarHBondContact O-CE1 3.32Å; S1024-H1114 VanDerWaalsContact O-CE1 3.24Å; S1024-H1114 PolarHBondContact OG-CE1 3.24Å; S1024-H1114 VanDerWaalsContact OG-CE1 3.23Å; S1024-H1114 PolarHBondContact OG-NE2 3.08Å |
| 1025 | T | 72.3 | Confident | 64.4 | Low | 70 Ų | 70 | 72.4 Ų | 72.4 | 43% | 0.429 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -73.3 | -39 | 178.8 | -59 | 0 | 0 | 0 | 0 | 110.4 | E1021 L1022 L1023 R1029 | E1021-T1025 WeakPolarHBondContact O-CB 3.26Å; E1021-T1025 PolarHBondContact O-N 2.92Å; E1021-T1025 PolarHBondContact O-OG1 3.42Å; L1022-T1025 WeakPolarHBondContact O-CB 3.44Å; L1022-T1025 PolarHBondContact O-N 3.42Å; L1023-T1025 VanDerWaalsContact C-N 3.29Å; L1023-T1025 PolarHBondContact O-N 3.17Å; T1025-R1029 WeakPolarHBondContact O-CG 3.49Å; T1025-R1029 PolarHBondContact O-N 3.39Å; T1025-R1029 VanDerWaalsContact O-N 3.16Å |
| 1026 | C | 67.7 | Low | 65 | Low | 58 Ų | 58 | 69.8 Ų | 69.8 | 39% | 0.392 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.9 | -50.3 | 173.4 | -67.6 | 0 | 0 | 0 | 0 | 111.9 | L1022 L1023 S1028 R1029 L1030 L1042 | L1022-C1026 PolarHBondContact O-N 3.42Å; L1022-C1026 PolarHBondContact O-SG 3.13Å; L1023-C1026 PolarHBondContact O-N 3.08Å; C1026-S1028 PolarHBondContact O-N 3.03Å; C1026-R1029 PolarHBondContact O-N 3.21Å; C1026-R1029 VanDerWaalsContact O-N 3.12Å; C1026-L1030 PolarHBondContact O-N 3.19Å; C1026-L1042 HydrophobicContact CB-CD1 3.61Å |
| 1027 | L | 72.4 | Confident | 65.5 | Low | 6 Ų | 6 | 73 Ų | 73 | 3% | 0.031 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.6 | -40 | 179 | -66.6 | 172.6 | 0 | 0 | 0 | 112.5 | L1023 R1029 L1030 A1031 V1046 F1110 H1114 V1117 | L1023-L1027 HydrophobicContact CD1-CD1 4.33Å; L1023-L1027 HydrophobicContact CD1-CG 4.32Å; L1023-L1027 HydrophobicContact CG-CD1 4.01Å; L1023-L1027 HydrophobicContact CG-CG 4.42Å; L1023-L1027 WeakPolarHBondContact O-CB 3.27Å; L1023-L1027 WeakPolarHBondContact O-CG 3.4Å; L1023-L1027 PolarHBondContact O-N 3.49Å; L1027-R1029 PolarHBondContact O-N 3.33Å; L1027-L1030 HydrophobicContact CD2-CD1 4.38Å; L1027-L1030 PolarHBondContact O-N 3.22Å; L1027-A1031 WeakPolarHBondContact O-CB 3.02Å; L1027-A1031 PolarHBondContact O-N 3.47Å; L1027-V1046 HydrophobicContact CD1-CG2 4.41Å; L1027-V1046 HydrophobicContact CD2-CG2 3.87Å; L1027-F1110 HydrophobicContact CD1-CE1 4.22Å; L1027-F1110 HydrophobicContact CD1-CE2 4.24Å; L1027-F1110 HydrophobicContact CD1-CZ 3.53Å; L1027-H1114 HydrophobicContact CB-CB 4.35Å; L1027-H1114 WeakPolarHBondContact CB-ND1 3.37Å; L1027-H1114 HydrophobicContact CD1-CB 4.05Å; L1027-V1117 HydrophobicContact CD2-CB 4.43Å; L1027-V1117 HydrophobicContact CD2-CG1 3.77Å |
| 1028 | S | 74.5 | Confident | 65.8 | Low | 44 Ų | 44 | 72.5 Ų | 72.5 | 31% | 0.308 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.7 | -22.4 | 173.7 | -70.4 | 0 | 0 | 0 | 0 | 113.8 | S1024 C1026 H1114 | S1024-S1028 VanDerWaalsContact O-CB 3.29Å; S1024-S1028 WeakPolarHBondContact O-CB 3.39Å; S1024-S1028 PolarHBondContact O-N 3.34Å; S1024-S1028 PolarHBondContact O-OG 2.85Å; S1024-S1028 VanDerWaalsContact O-OG 3.13Å; C1026-S1028 PolarHBondContact O-N 3.03Å; S1028-H1114 PolarHBondContact OG-CE1 3.35Å |
| 1029 | R | 68.6 | Low | 65.9 | Low | 183 Ų | 183 | 67.7 Ų | 67.7 | 69% | 0.691 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -78.8 | -39.6 | 170.3 | -74.3 | 175.4 | -179.6 | -164 | 0 | 111.9 | T1025 C1026 L1027 A1031 L1032 | T1025-R1029 WeakPolarHBondContact O-CG 3.49Å; T1025-R1029 PolarHBondContact O-N 3.39Å; T1025-R1029 VanDerWaalsContact O-N 3.16Å; C1026-R1029 PolarHBondContact O-N 3.21Å; C1026-R1029 VanDerWaalsContact O-N 3.12Å; L1027-R1029 PolarHBondContact O-N 3.33Å; R1029-A1031 VanDerWaalsContact C-N 3.29Å; R1029-A1031 PolarHBondContact O-N 2.82Å; R1029-L1032 WeakPolarHBondContact O-CB 3.49Å; R1029-L1032 PolarHBondContact O-N 2.65Å; R1029-L1032 VanDerWaalsContact O-N 3.13Å |
| 1030 | L | 66.9 | Low | 66.2 | Low | 21 Ų | 21 | 67.1 Ų | 67.1 | 11% | 0.11 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.3 | -32.9 | 173.4 | -69.4 | 175.4 | 0 | 0 | 0 | 112.7 | C1026 L1027 L1032 S1033 T1038 V1039 L1042 | C1026-L1030 PolarHBondContact O-N 3.19Å; L1027-L1030 HydrophobicContact CD2-CD1 4.38Å; L1027-L1030 PolarHBondContact O-N 3.22Å; L1030-L1032 PolarHBondContact O-N 3.37Å; L1030-L1032 VanDerWaalsContact O-N 3.09Å; L1030-S1033 PolarHBondContact O-N 3.41Å; L1030-S1033 VanDerWaalsContact O-N 3.08Å; L1030-S1033 PolarHBondContact O-OG 2.91Å; L1030-T1038 HydrophobicContact CD2-CG2 3.6Å; L1030-V1039 HydrophobicContact CB-CG2 4.49Å; L1030-L1042 HydrophobicContact CD1-CB 4.17Å; L1030-L1042 HydrophobicContact CD1-CD1 3.54Å; L1030-L1042 HydrophobicContact CD1-CG 3.88Å |
| 1031 | A | 66.4 | Low | 66.1 | Low | 52 Ų | 52 | 70.9 Ų | 70.9 | 43% | 0.43 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -9.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1027 R1029 V1117 | L1027-A1031 WeakPolarHBondContact O-CB 3.02Å; L1027-A1031 PolarHBondContact O-N 3.47Å; R1029-A1031 VanDerWaalsContact C-N 3.29Å; R1029-A1031 PolarHBondContact O-N 2.82Å; A1031-V1117 HydrophobicContact CB-CG2 3.82Å |
| 1032 | L | 67.1 | Low | 65.9 | Low | 147 Ų | 147 | 67 Ų | 67 | 77% | 0.77 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -11.1 | 174.7 | -61.5 | 171.2 | 0 | 0 | 0 | 113 | R1029 L1030 | R1029-L1032 WeakPolarHBondContact O-CB 3.49Å; R1029-L1032 PolarHBondContact O-N 2.65Å; R1029-L1032 VanDerWaalsContact O-N 3.13Å; L1030-L1032 PolarHBondContact O-N 3.37Å; L1030-L1032 VanDerWaalsContact O-N 3.09Å |
| 1033 | S | 59.4 | Low | 66 | Low | 43 Ų | 43 | 65.2 Ų | 65.2 | 30% | 0.301 | 36% | 0.358 | S | S | . | . | trans | -93.2 | 116.9 | 172.7 | 52.4 | 0 | 0 | 0 | 0 | 109.9 | L1030 D1035 | L1030-S1033 PolarHBondContact O-N 3.41Å; L1030-S1033 VanDerWaalsContact O-N 3.08Å; L1030-S1033 PolarHBondContact O-OG 2.91Å; S1033-D1035 PolarHBondContact O-N 3.24Å; S1033-D1035 VanDerWaalsContact O-N 3.07Å | ||
| 1034 | N | 56 | Low | 65.8 | Low | 168 Ų | 168 | 67.1 Ų | 67.1 | 90% | 0.898 | 37% | 0.372 | S | S | * | . | trans | -69.1 | 1.1 | 178.4 | -73.1 | -3.6 | 0 | 0 | 0 | 114.5 | P1036 | N1034-P1036 WeakPolarHBondContact O-CD 3.44Š| ||
| 1035 | D | 60.9 | Low | 65.4 | Low | 61 Ų | 61 | 68 Ų | 68 | 33% | 0.326 | 38% | 0.379 | S | S | . | . | trans | -85.8 | 117.5 | 179.2 | 169.6 | 34.9 | 0 | 0 | 0 | 111.8 | S1033 H1037 T1038 | S1033-D1035 PolarHBondContact O-N 3.24Å; S1033-D1035 VanDerWaalsContact O-N 3.07Å; D1035-H1037 PolarHBondContact O-N 3.2Å; D1035-H1037 WeakPolarHBondContact OD1-CB 3.4Å; D1035-H1037 IonicContact OD1-CD2 3.09Å; D1035-H1037 PolarHBondContact OD1-CD2 3.03Å; D1035-H1037 IonicContact OD1-CG 3.7Å; D1035-H1037 PolarHBondContact OD1-N 3.49Å; D1035-T1038 VanDerWaalsContact OD2-CB 3.29Å; D1035-T1038 WeakPolarHBondContact OD2-CB 3.11Å; D1035-T1038 PolarHBondContact OD2-N 3.46Å; D1035-T1038 PolarHBondContact OD2-OG1 3.33Å | ||
| 1036 | P | 60.6 | Low | 65.3 | Low | 51 Ų | 51 | 64.8 Ų | 64.8 | 33% | 0.331 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -70 | -12.6 | 177 | 31 | -36.8 | 0 | 0 | 0 | 114.1 | N1034 Q1124 | N1034-P1036 WeakPolarHBondContact O-CD 3.44Å; P1036-Q1124 PolarHBondContact O-NE2 3.3Å |
| 1037 | H | 63.9 | Low | 65.4 | Low | 128 Ų | 128 | 63.1 Ų | 63.1 | 59% | 0.593 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -84.7 | -40.4 | 177.4 | -65.6 | -83.7 | 0 | 0 | 0 | 112.7 | D1035 V1039 L1040 | D1035-H1037 PolarHBondContact O-N 3.2Å; D1035-H1037 WeakPolarHBondContact OD1-CB 3.4Å; D1035-H1037 IonicContact OD1-CD2 3.09Å; D1035-H1037 PolarHBondContact OD1-CD2 3.03Å; D1035-H1037 IonicContact OD1-CG 3.7Å; D1035-H1037 PolarHBondContact OD1-N 3.49Å; H1037-V1039 PolarHBondContact O-N 2.96Å; H1037-V1039 VanDerWaalsContact O-N 3.16Å; H1037-L1040 WeakPolarHBondContact O-CB 3.49Å; H1037-L1040 PolarHBondContact O-N 3.23Å |
| 1038 | T | 61.9 | Low | 65 | Low | 62 Ų | 62 | 63.5 Ų | 63.5 | 38% | 0.38 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.5 | -30 | 176.2 | -59.9 | 0 | 0 | 0 | 0 | 111.5 | L1030 D1035 L1040 V1041 | L1030-T1038 HydrophobicContact CD2-CG2 3.6Å; D1035-T1038 VanDerWaalsContact OD2-CB 3.29Å; D1035-T1038 WeakPolarHBondContact OD2-CB 3.11Å; D1035-T1038 PolarHBondContact OD2-N 3.46Å; D1035-T1038 PolarHBondContact OD2-OG1 3.33Å; T1038-L1040 PolarHBondContact O-N 2.98Å; T1038-V1041 WeakPolarHBondContact O-CB 3.36Å; T1038-V1041 WeakPolarHBondContact O-CG2 3.28Å; T1038-V1041 PolarHBondContact O-N 3.2Å |
| 1039 | V | 62.6 | Low | 64.7 | Low | 9 Ų | 9 | 61.6 Ų | 61.6 | 6% | 0.055 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.9 | -40.4 | 173.1 | 170.5 | 0 | 0 | 0 | 0 | 113 | L1030 H1037 V1041 L1042 V1117 Q1120 I1121 | L1030-V1039 HydrophobicContact CB-CG2 4.49Å; H1037-V1039 PolarHBondContact O-N 2.96Å; H1037-V1039 VanDerWaalsContact O-N 3.16Å; V1039-V1041 PolarHBondContact O-N 3.09Å; V1039-L1042 PolarHBondContact O-N 3.44Å; V1039-V1117 HydrophobicContact CG1-CG1 3.66Å; V1039-V1117 HydrophobicContact CG2-CG1 4.31Å; V1039-Q1120 HydrophobicContact CG1-CB 4.45Å; V1039-Q1120 HydrophobicContact CG1-CG 4.23Å; V1039-I1121 HydrophobicContact CG1-CD1 4.25Å; V1039-I1121 HydrophobicContact CG1-CG1 3.73Å |
| 1040 | L | 65.3 | Low | 64.7 | Low | 53 Ų | 53 | 52.9 Ų | 52.9 | 28% | 0.277 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.7 | -24.5 | -177.3 | -70.2 | 167.9 | 0 | 0 | 0 | 113 | H1037 T1038 L1042 Q1043 Q1124 | H1037-L1040 WeakPolarHBondContact O-CB 3.49Å; H1037-L1040 PolarHBondContact O-N 3.23Å; T1038-L1040 PolarHBondContact O-N 2.98Å; L1040-L1042 PolarHBondContact O-N 3.43Å; L1040-L1042 VanDerWaalsContact O-N 3.15Å; L1040-Q1043 VanDerWaalsContact CD2-OE1 3.31Å; L1040-Q1043 VanDerWaalsContact O-CB 3.27Å; L1040-Q1043 WeakPolarHBondContact O-CB 3.28Å; L1040-Q1043 PolarHBondContact O-N 2.89Å; L1040-Q1124 HydrophobicContact CD2-CB 4.05Å; L1040-Q1124 HydrophobicContact CD2-CG 4.46Å; L1040-Q1124 VanDerWaalsContact CD2-OE1 3.27Å |
| 1041 | V | 64.1 | Low | 64.6 | Low | 103 Ų | 103 | 54.7 Ų | 54.7 | 62% | 0.624 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -31.1 | -179.9 | -176.9 | 0 | 0 | 0 | 0 | 112.1 | T1038 V1039 | T1038-V1041 WeakPolarHBondContact O-CB 3.36Å; T1038-V1041 WeakPolarHBondContact O-CG2 3.28Å; T1038-V1041 PolarHBondContact O-N 3.2Å; V1039-V1041 PolarHBondContact O-N 3.09Å |
| 1042 | L | 66.7 | Low | 64.3 | Low | 42 Ų | 42 | 54.7 Ų | 54.7 | 22% | 0.22 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 0.5 | 176.1 | -63.3 | -169.3 | 0 | 0 | 0 | 114.6 | C1026 L1030 V1039 L1040 A1045 V1046 | C1026-L1042 HydrophobicContact CB-CD1 3.61Å; L1030-L1042 HydrophobicContact CD1-CB 4.17Å; L1030-L1042 HydrophobicContact CD1-CD1 3.54Å; L1030-L1042 HydrophobicContact CD1-CG 3.88Å; V1039-L1042 PolarHBondContact O-N 3.44Å; L1040-L1042 PolarHBondContact O-N 3.43Å; L1040-L1042 VanDerWaalsContact O-N 3.15Å; L1042-A1045 PolarHBondContact O-N 2.98Å; L1042-V1046 WeakPolarHBondContact O-CG2 3.28Å; L1042-V1046 PolarHBondContact O-N 3.16Å |
| 1043 | Q | 68.3 | Low | 64.1 | Low | 42 Ų | 42 | 50.3 Ų | 50.3 | 20% | 0.196 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -50.4 | -48.4 | 178.1 | 174.9 | 179.4 | -11.2 | 0 | 0 | 112.3 | L1040 A1045 V1046 E1047 I1121 | L1040-Q1043 VanDerWaalsContact CD2-OE1 3.31Å; L1040-Q1043 VanDerWaalsContact O-CB 3.27Å; L1040-Q1043 WeakPolarHBondContact O-CB 3.28Å; L1040-Q1043 PolarHBondContact O-N 2.89Å; Q1043-A1045 VanDerWaalsContact C-N 3.27Å; Q1043-A1045 PolarHBondContact O-N 3.06Å; Q1043-V1046 PolarHBondContact O-N 3.09Å; Q1043-E1047 HydrophobicContact CG-CG 4.01Å; Q1043-E1047 WeakPolarHBondContact CG-OE1 3.42Å; Q1043-E1047 PolarHBondContact NE2-OE1 2.96Å; Q1043-E1047 WeakPolarHBondContact O-CB 3.4Å; Q1043-E1047 VanDerWaalsContact O-CG 3.29Å; Q1043-E1047 WeakPolarHBondContact O-CG 3.42Å; Q1043-E1047 PolarHBondContact O-N 2.9Å; Q1043-I1121 HydrophobicContact CB-CG2 4.48Å; Q1043-I1121 HydrophobicContact CG-CG2 4.02Å |
| 1044 | P | 65.1 | Low | 64 | Low | 58 Ų | 58 | 49.5 Ų | 49.5 | 38% | 0.377 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.2 | -33.8 | 180 | -23.4 | 35 | 0 | 0 | 0 | 113.6 | T949 A1048 | T949-P1044 HydrophobicContact CG2-CB 4.21Å; P1044-A1048 VanDerWaalsContact O-CB 3.28Å; P1044-A1048 WeakPolarHBondContact O-CB 3.41Å; P1044-A1048 PolarHBondContact O-N 3.33Å |
| 1045 | A | 63.6 | Low | 63.7 | Low | 27 Ų | 27 | 47.5 Ų | 47.5 | 22% | 0.223 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -74.5 | -39 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | L1042 Q1043 F1049 | L1042-A1045 PolarHBondContact O-N 2.98Å; Q1043-A1045 VanDerWaalsContact C-N 3.27Å; Q1043-A1045 PolarHBondContact O-N 3.06Å; A1045-F1049 VanDerWaalsContact O-CB 3.22Å; A1045-F1049 WeakPolarHBondContact O-CB 3.22Å; A1045-F1049 PolarHBondContact O-N 3.25Å |
| 1046 | V | 70.4 | Confident | 63.1 | Low | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.4 | -43.7 | 174.1 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | L1023 L1027 L1042 Q1043 F1049 F1050 I1121 F1134 | L1023-V1046 HydrophobicContact CD1-CG2 4.35Å; L1027-V1046 HydrophobicContact CD1-CG2 4.41Å; L1027-V1046 HydrophobicContact CD2-CG2 3.87Å; L1042-V1046 WeakPolarHBondContact O-CG2 3.28Å; L1042-V1046 PolarHBondContact O-N 3.16Å; Q1043-V1046 PolarHBondContact O-N 3.09Å; V1046-F1049 WeakPolarHBondContact O-CB 3.49Å; V1046-F1049 PolarHBondContact O-N 3.01Å; V1046-F1050 HydrophobicContact CG1-CD2 3.88Å; V1046-F1050 HydrophobicContact CG1-CE2 3.89Å; V1046-F1050 VanDerWaalsContact O-CD2 3.31Å; V1046-F1050 WeakPolarHBondContact O-CD2 3.36Å; V1046-F1050 PolarHBondContact O-N 3.41Å; V1046-I1121 HydrophobicContact CB-CD1 4.41Å; V1046-I1121 HydrophobicContact CG1-CD1 4.39Å; V1046-I1121 HydrophobicContact CG2-CD1 4.25Å; V1046-F1134 HydrophobicContact CG1-CE1 3.92Å; V1046-F1134 HydrophobicContact CG1-CZ 4.05Å |
| 1047 | E | 69.6 | Low | 62.2 | Low | 22 Ų | 22 | 52.4 Ų | 52.4 | 10% | 0.103 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.1 | -47.4 | 175 | -71.7 | -177.9 | 173.6 | 0 | 0 | 112.1 | K953 Q1043 F1049 F1050 I1051 P1133 F1134 | K953-E1047 IonicContact NZ-OE2 3.32Å; K953-E1047 PolarHBondContact NZ-OE2 3.15Å; Q1043-E1047 HydrophobicContact CG-CG 4.01Å; Q1043-E1047 WeakPolarHBondContact CG-OE1 3.42Å; Q1043-E1047 PolarHBondContact NE2-OE1 2.96Å; Q1043-E1047 WeakPolarHBondContact O-CB 3.4Å; Q1043-E1047 VanDerWaalsContact O-CG 3.29Å; Q1043-E1047 WeakPolarHBondContact O-CG 3.42Å; Q1043-E1047 PolarHBondContact O-N 2.9Å; E1047-F1049 VanDerWaalsContact C-N 3.31Å; E1047-F1049 PolarHBondContact O-N 2.88Å; E1047-F1050 PolarHBondContact O-N 3.22Å; E1047-I1051 VanDerWaalsContact O-CG1 3.28Å; E1047-I1051 WeakPolarHBondContact O-CG1 3.44Å; E1047-I1051 PolarHBondContact O-N 3.03Å; E1047-P1133 HydrophobicContact CB-CB 3.91Å; E1047-P1133 HydrophobicContact CB-CG 3.98Å; E1047-P1133 HydrophobicContact CG-CB 4.07Å; E1047-P1133 HydrophobicContact CG-CG 3.62Å; E1047-F1134 HydrophobicContact CG-CE2 3.93Å; E1047-F1134 HydrophobicContact CG-CZ 4Å |
| 1048 | A | 63.4 | Low | 60.7 | Low | 14 Ų | 14 | 51.1 Ų | 51.1 | 12% | 0.116 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60 | -43.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | T949 P1044 F1050 I1051 L1052 | T949-A1048 HydrophobicContact CG2-CB 4.05Å; P1044-A1048 VanDerWaalsContact O-CB 3.28Å; P1044-A1048 WeakPolarHBondContact O-CB 3.41Å; P1044-A1048 PolarHBondContact O-N 3.33Å; A1048-F1050 PolarHBondContact O-N 3.25Å; A1048-I1051 PolarHBondContact O-N 3.25Å; A1048-L1052 WeakPolarHBondContact O-CB 3.45Å; A1048-L1052 WeakPolarHBondContact O-CG 3.29Å; A1048-L1052 PolarHBondContact O-N 2.91Å |
| 1049 | F | 67.9 | Low | 59.3 | Low | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.018 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 178 | -177.7 | -95.8 | 0 | 0 | 0 | 112.6 | L1019 W1020 L1023 A1045 V1046 E1047 L1052 H1053 F1110 | L1019-F1049 HydrophobicContact CD2-CD2 3.47Å; L1019-F1049 VanDerWaalsContact CD2-CD2 3.47Å; L1019-F1049 HydrophobicContact CD2-CE2 3.6Å; W1020-F1049 HydrophobicContact CD2-CE2 4.28Å; W1020-F1049 AromaticContact CD2-CZ 3.61Å; W1020-F1049 HydrophobicContact CD2-CZ 3.61Å; W1020-F1049 AromaticContact CE2-CZ 3.72Å; W1020-F1049 HydrophobicContact CE3-CE1 4.12Å; W1020-F1049 AromaticContact CE3-CZ 3.51Å; W1020-F1049 HydrophobicContact CE3-CZ 3.51Å; W1020-F1049 HydrophobicContact CG-CZ 4.32Å; W1020-F1049 HydrophobicContact CH2-CE1 4.02Å; W1020-F1049 AromaticContact CH2-CZ 3.67Å; W1020-F1049 HydrophobicContact CH2-CZ 3.67Å; W1020-F1049 AromaticContact CZ2-CZ 3.78Å; W1020-F1049 HydrophobicContact CZ2-CZ 3.78Å; W1020-F1049 AromaticContact CZ3-CE1 3.78Å; W1020-F1049 HydrophobicContact CZ3-CE1 3.78Å; W1020-F1049 AromaticContact CZ3-CZ 3.52Å; W1020-F1049 HydrophobicContact CZ3-CZ 3.52Å; L1023-F1049 HydrophobicContact CD2-CB 3.64Å; L1023-F1049 HydrophobicContact CD2-CD1 3.75Å; L1023-F1049 HydrophobicContact CD2-CD2 3.69Å; L1023-F1049 HydrophobicContact CD2-CE1 4.38Å; L1023-F1049 HydrophobicContact CD2-CE2 4.32Å; L1023-F1049 HydrophobicContact CD2-CG 3.37Å; A1045-F1049 VanDerWaalsContact O-CB 3.22Å; A1045-F1049 WeakPolarHBondContact O-CB 3.22Å; A1045-F1049 PolarHBondContact O-N 3.25Å; V1046-F1049 WeakPolarHBondContact O-CB 3.49Å; V1046-F1049 PolarHBondContact O-N 3.01Å; E1047-F1049 VanDerWaalsContact C-N 3.31Å; E1047-F1049 PolarHBondContact O-N 2.88Å; F1049-L1052 PolarHBondContact O-N 2.79Å; F1049-H1053 AromaticContact CD1-CE1 3.84Å; F1049-H1053 AromaticContact CD2-CE1 3.56Å; F1049-H1053 AromaticContact CD2-ND1 3.93Å; F1049-H1053 AromaticContact CD2-NE2 3.25Å; F1049-H1053 VanDerWaalsContact CD2-NE2 3.25Å; F1049-H1053 WeakPolarHBondContact CD2-NE2 3.4Å; F1049-H1053 AromaticContact CE1-CE1 3.92Å; F1049-H1053 AromaticContact CE2-CE1 3.67Å; F1049-H1053 AromaticContact CE2-ND1 3.68Å; F1049-H1053 AromaticContact CE2-NE2 2.89Å; F1049-H1053 WeakPolarHBondContact CE2-NE2 3.33Å; F1049-H1053 AromaticContact CG-CE1 3.64Å; F1049-H1053 AromaticContact CZ-CE1 3.82Å; F1049-H1053 AromaticContact CZ-ND1 3.77Å; F1049-H1053 AromaticContact CZ-NE2 3.66Å; F1049-H1053 CovalentContact O-CE1 1.86Å; F1049-H1053 PolarHBondContact O-CE1 3.28Å; F1049-H1053 PolarHBondContact O-N 3.28Å; F1049-H1053 PolarHBondContact O-ND1 3.32Å; F1049-F1110 HydrophobicContact CD1-CE1 4.11Å; F1049-F1110 HydrophobicContact CD1-CZ 4.39Å; F1049-F1110 HydrophobicContact CE1-CD1 4.12Å; F1049-F1110 AromaticContact CE1-CE1 3.84Å; F1049-F1110 HydrophobicContact CE1-CE1 3.84Å; F1049-F1110 HydrophobicContact CE1-CZ 4.18Å |
| 1050 | F | 68.8 | Low | 57.8 | Low | 1 Ų | 1 | 59 Ų | 59 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.6 | -45.7 | 175.8 | -89.3 | -112 | 0 | 0 | 0 | 111.4 | V1046 E1047 A1048 L1052 H1053 A1054 F1107 F1110 L1118 F1134 L1137 | V1046-F1050 HydrophobicContact CG1-CD2 3.88Å; V1046-F1050 HydrophobicContact CG1-CE2 3.89Å; V1046-F1050 VanDerWaalsContact O-CD2 3.31Å; V1046-F1050 WeakPolarHBondContact O-CD2 3.36Å; V1046-F1050 PolarHBondContact O-N 3.41Å; E1047-F1050 PolarHBondContact O-N 3.22Å; A1048-F1050 PolarHBondContact O-N 3.25Å; F1050-L1052 VanDerWaalsContact C-N 3.34Å; F1050-L1052 PolarHBondContact O-N 3.43Å; F1050-H1053 CarbonylContact O-C 3.52Å; F1050-H1053 PolarHBondContact O-N 3.17Å; F1050-H1053 VanDerWaalsContact O-N 3.1Å; F1050-A1054 VanDerWaalsContact O-CB 3.25Å; F1050-A1054 WeakPolarHBondContact O-CB 3.29Å; F1050-A1054 PolarHBondContact O-N 3.34Å; F1050-F1107 AromaticContact CD1-CE2 3.72Å; F1050-F1107 HydrophobicContact CD1-CE2 3.72Å; F1050-F1107 AromaticContact CD1-CZ 3.79Å; F1050-F1107 HydrophobicContact CD1-CZ 3.79Å; F1050-F1107 AromaticContact CE1-CE2 3.6Å; F1050-F1107 HydrophobicContact CE1-CE2 3.6Å; F1050-F1107 AromaticContact CE1-CZ 3.43Å; F1050-F1107 HydrophobicContact CE1-CZ 3.43Å; F1050-F1107 VanDerWaalsContact CE1-CZ 3.43Å; F1050-F1107 HydrophobicContact CG-CE2 4.3Å; F1050-F1107 HydrophobicContact CZ-CE2 4.09Å; F1050-F1107 HydrophobicContact CZ-CZ 4.19Å; F1050-F1110 HydrophobicContact CE2-CE1 4.37Å; F1050-L1118 HydrophobicContact CE1-CD1 4.39Å; F1050-L1118 HydrophobicContact CE2-CD1 4.08Å; F1050-L1118 HydrophobicContact CZ-CD1 3.72Å; F1050-L1118 HydrophobicContact CZ-CD2 3.89Å; F1050-L1118 HydrophobicContact CZ-CG 4.48Å; F1050-F1134 HydrophobicContact CB-CD1 4.47Å; F1050-F1134 HydrophobicContact CB-CE1 4.46Å; F1050-F1134 AromaticContact CD1-CD1 3.71Å; F1050-F1134 HydrophobicContact CD1-CD1 3.71Å; F1050-F1134 HydrophobicContact CD1-CE1 4.12Å; F1050-F1134 HydrophobicContact CD2-CD1 4.38Å; F1050-F1134 AromaticContact CD2-CE1 3.95Å; F1050-F1134 HydrophobicContact CD2-CE1 3.95Å; F1050-F1134 AromaticContact CE1-CD1 3.96Å; F1050-F1134 HydrophobicContact CE1-CD1 3.96Å; F1050-F1134 HydrophobicContact CE1-CE1 4.35Å; F1050-F1134 HydrophobicContact CE2-CE1 4.19Å; F1050-F1134 AromaticContact CG-CD1 3.93Å; F1050-F1134 HydrophobicContact CG-CD1 3.93Å; F1050-F1134 AromaticContact CG-CE1 3.92Å; F1050-F1134 HydrophobicContact CG-CE1 3.92Å; F1050-F1134 HydrophobicContact CZ-CD1 4.41Å; F1050-F1134 HydrophobicContact CZ-CE1 4.39Å; F1050-L1137 HydrophobicContact CE1-CD1 3.93Å; F1050-L1137 HydrophobicContact CE1-CD2 3.89Å; F1050-L1137 HydrophobicContact CE1-CG 3.87Å |
| 1051 | I | 65.5 | Low | 56.2 | Low | 59 Ų | 59 | 60.9 Ų | 60.9 | 30% | 0.303 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.7 | -46.3 | 175.7 | -69.4 | 163.8 | 0 | 0 | 0 | 111.2 | K953 E1047 A1048 H1053 A1054 P1133 | K953-I1051 HydrophobicContact CG-CD1 4.39Å; E1047-I1051 VanDerWaalsContact O-CG1 3.28Å; E1047-I1051 WeakPolarHBondContact O-CG1 3.44Å; E1047-I1051 PolarHBondContact O-N 3.03Å; A1048-I1051 PolarHBondContact O-N 3.25Å; I1051-H1053 PolarHBondContact O-N 3.3Å; I1051-H1053 VanDerWaalsContact O-N 3.14Å; I1051-A1054 PolarHBondContact O-N 3.5Å; I1051-P1133 HydrophobicContact CD1-CB 3.99Å; I1051-P1133 HydrophobicContact CG1-CB 3.82Å |
| 1052 | L | 59.6 | Low | 54.5 | Low | 51 Ų | 51 | 60.4 Ų | 60.4 | 27% | 0.267 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.9 | -17.4 | 179.8 | -71.5 | 168.4 | 0 | 0 | 0 | 114.1 | F960 A1048 F1049 F1050 | F960-L1052 HydrophobicContact CE2-CD2 3.62Å; F960-L1052 HydrophobicContact CZ-CB 4.21Å; F960-L1052 HydrophobicContact CZ-CD2 3.56Å; F960-L1052 HydrophobicContact CZ-CG 4.5Å; F960-L1052 WeakPolarHBondContact CZ-O 3.43Å; A1048-L1052 WeakPolarHBondContact O-CB 3.45Å; A1048-L1052 WeakPolarHBondContact O-CG 3.29Å; A1048-L1052 PolarHBondContact O-N 2.91Å; F1049-L1052 PolarHBondContact O-N 2.79Å; F1050-L1052 VanDerWaalsContact C-N 3.34Å; F1050-L1052 PolarHBondContact O-N 3.43Å |
| 1053 | H | 61.9 | Low | 52.7 | Low | 56 Ų | 56 | 68.1 Ų | 68.1 | 26% | 0.259 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -119 | 5.1 | -178.8 | -63.2 | 85.2 | 0 | 0 | 0 | 113.4 | W1020 F1049 F1050 I1051 | W1020-H1053 AromaticContact CZ2-CD2 3.54Å; F1049-H1053 AromaticContact CD1-CE1 3.84Å; F1049-H1053 AromaticContact CD2-CE1 3.56Å; F1049-H1053 AromaticContact CD2-ND1 3.93Å; F1049-H1053 AromaticContact CD2-NE2 3.25Å; F1049-H1053 VanDerWaalsContact CD2-NE2 3.25Å; F1049-H1053 WeakPolarHBondContact CD2-NE2 3.4Å; F1049-H1053 AromaticContact CE1-CE1 3.92Å; F1049-H1053 AromaticContact CE2-CE1 3.67Å; F1049-H1053 AromaticContact CE2-ND1 3.68Å; F1049-H1053 AromaticContact CE2-NE2 2.89Å; F1049-H1053 WeakPolarHBondContact CE2-NE2 3.33Å; F1049-H1053 AromaticContact CG-CE1 3.64Å; F1049-H1053 AromaticContact CZ-CE1 3.82Å; F1049-H1053 AromaticContact CZ-ND1 3.77Å; F1049-H1053 AromaticContact CZ-NE2 3.66Å; F1049-H1053 CovalentContact O-CE1 1.86Å; F1049-H1053 PolarHBondContact O-CE1 3.28Å; F1049-H1053 PolarHBondContact O-N 3.28Å; F1049-H1053 PolarHBondContact O-ND1 3.32Å; F1050-H1053 CarbonylContact O-C 3.52Å; F1050-H1053 PolarHBondContact O-N 3.17Å; F1050-H1053 VanDerWaalsContact O-N 3.1Å; I1051-H1053 PolarHBondContact O-N 3.3Å; I1051-H1053 VanDerWaalsContact O-N 3.14Å |
| 1054 | A | 57.1 | Low | 50.9 | Low | 25 Ų | 25 | 71.9 Ų | 71.9 | 21% | 0.207 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -86.2 | -20.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | F1050 I1051 N1056 V1136 | F1050-A1054 VanDerWaalsContact O-CB 3.25Å; F1050-A1054 WeakPolarHBondContact O-CB 3.29Å; F1050-A1054 PolarHBondContact O-N 3.34Å; I1051-A1054 PolarHBondContact O-N 3.5Å; A1054-N1056 PolarHBondContact O-N 2.72Å; A1054-V1136 HydrophobicContact CB-CG2 3.38Å |
| 1055 | D | 51.1 | Low | 49.2 | Very low | 127 Ų | 127 | 77.8 Ų | 77.8 | 68% | 0.679 | 41% | 0.414 | S | S | * | . | trans | -77 | 83.3 | -173.3 | -91.9 | -19.4 | 0 | 0 | 0 | 112.4 | ||||
| 1056 | N | 47 | Very low | 47.5 | Very low | 74 Ų | 74 | 81.3 Ų | 81.3 | 40% | 0.396 | 44% | 0.437 | S | S | . | . | trans | -141.7 | 20.6 | 159.4 | -129.7 | 46 | 0 | 0 | 0 | 113.2 | A1054 S1058 E1059 | A1054-N1056 PolarHBondContact O-N 2.72Å; N1056-S1058 PolarHBondContact O-N 3.11Å; N1056-S1058 VanDerWaalsContact O-N 3.1Å; N1056-E1059 PolarHBondContact ND2-OE2 3.5Å; N1056-E1059 VanDerWaalsContact ND2-OE2 3.14Å; N1056-E1059 PolarHBondContact O-N 2.89Å | ||
| 1057 | K | 42.5 | Very low | 45.4 | Very low | 141 Ų | 141 | 90 Ų | 90 | 61% | 0.613 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -15.5 | -179 | -74 | -171.7 | 177.2 | -179.9 | 0 | 114.3 | ||
| 1058 | S | 32.5 | Very low | 43.3 | Very low | 101 Ų | 101 | 94.3 Ų | 94.3 | 71% | 0.706 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -17.4 | -177 | 43.6 | 0 | 0 | 0 | 0 | 115.6 | N1056 | N1056-S1058 PolarHBondContact O-N 3.11Å; N1056-S1058 VanDerWaalsContact O-N 3.1Å |
| 1059 | E | 33.3 | Very low | 41.5 | Very low | 127 Ų | 127 | 100.2 Ų | 100.2 | 59% | 0.593 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -14 | -175.7 | -69.5 | -164 | 135.2 | 0 | 0 | 115 | N1056 | N1056-E1059 PolarHBondContact ND2-OE2 3.5Å; N1056-E1059 VanDerWaalsContact ND2-OE2 3.14Å; N1056-E1059 PolarHBondContact O-N 2.89Å |
| 1060 | M | 30.4 | Very low | 39.4 | Very low | 108 Ų | 108 | 103.9 Ų | 103.9 | 53% | 0.532 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.1 | -42.9 | -178.5 | -80.6 | -178.8 | 160.1 | 0 | 0 | 113.6 | S1062 R1063 | M1060-S1062 PolarHBondContact O-N 2.81Å; M1060-S1062 VanDerWaalsContact O-N 3.09Å; M1060-R1063 PolarHBondContact O-N 2.87Å |
| 1061 | S | 30.5 | Very low | 37.2 | Very low | 94 Ų | 94 | 113 Ų | 113 | 66% | 0.657 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -11.7 | -175.4 | -55.3 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1062 | S | 28.5 | Very low | 35.3 | Very low | 92 Ų | 92 | 119.6 Ų | 119.6 | 64% | 0.643 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | 7.1 | 179.4 | 53.6 | 0 | 0 | 0 | 0 | 114.4 | M1060 | M1060-S1062 PolarHBondContact O-N 2.81Å; M1060-S1062 VanDerWaalsContact O-N 3.09Å |
| 1063 | R | 30.3 | Very low | 33.7 | Very low | 205 Ų | 205 | 123.3 Ų | 123.3 | 77% | 0.774 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -114.9 | -14.9 | 179.4 | -83.1 | -178.8 | 160.2 | 155.8 | -3.1 | 115.4 | M1060 | M1060-R1063 PolarHBondContact O-N 2.87Š|
| 1064 | T | 30 | Very low | 32 | Very low | 120 Ų | 120 | 124.6 Ų | 124.6 | 74% | 0.736 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -10.6 | -168.9 | -25.8 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1065 | E | 28.9 | Very low | 30.6 | Very low | 182 Ų | 182 | 132.7 Ų | 132.7 | 85% | 0.85 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 18.1 | -175.1 | -60.7 | -172.2 | 145 | 0 | 0 | 113.9 | ||
| 1066 | S | 27.5 | Very low | 29.3 | Very low | 101 Ų | 101 | 132 Ų | 132 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -126.5 | -7.2 | -172.3 | -59.6 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1067 | E | 27.3 | Very low | 28.5 | Very low | 186 Ų | 186 | 134.4 Ų | 134.4 | 87% | 0.869 | 76% | 0.755 | S | S | * | * | trans | -121 | 60.5 | -175.7 | -67.5 | -174.3 | 166 | 0 | 0 | 111.8 | ||||
| 1068 | S | 25.5 | Very low | 27.8 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -107.8 | 18.9 | 177.6 | 54.2 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1069 | T | 24.7 | Very low | 27.5 | Very low | 139 Ų | 139 | 132.9 Ų | 132.9 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -154.7 | 137.9 | 169.1 | 29.1 | 0 | 0 | 0 | 0 | 110.1 | ||
| 1070 | G | 24.9 | Very low | 27.2 | Very low | 80 Ų | 80 | 135.6 Ų | 135.6 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | 131.4 | 91.1 | 172 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1071 | M | 22.8 | Very low | 27 | Very low | 194 Ų | 194 | 137.6 Ų | 137.6 | 96% | 0.956 | 78% | 0.778 | S | S | * | * | trans | -94.2 | 102 | 167.7 | 173 | 175.2 | 167.1 | 0 | 0 | 107.8 | ||||
| 1072 | E | 25.4 | Very low | 26.7 | Very low | 196 Ų | 196 | 137.3 Ų | 137.3 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | trans | -145.8 | 158 | 178.1 | -145.5 | 168.5 | -129.7 | 0 | 0 | 112.3 | ||||
| 1073 | I | 25.4 | Very low | 26.5 | Very low | 130 Ų | 130 | 138.5 Ų | 138.5 | 67% | 0.667 | 79% | 0.79 | S | S | * | * | trans | -116.6 | 144.3 | -161.4 | -56.3 | 166.9 | 0 | 0 | 0 | 110.1 | ||||
| 1074 | A | 25.7 | Very low | 26.2 | Very low | 82 Ų | 82 | 135.6 Ų | 135.6 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | trans | 136.4 | 169.2 | 131.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1075 | Q | 28.2 | Very low | 25.9 | Very low | 196 Ų | 196 | 134.8 Ų | 134.8 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | trans | 97.7 | 114 | 155.3 | -46.3 | -157.3 | 20.1 | 0 | 0 | 118 | ||||
| 1076 | S | 24.8 | Very low | 25.8 | Very low | 111 Ų | 111 | 132 Ų | 132 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -93.5 | 157.5 | -177.3 | 53.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1077 | P | 29.7 | Very low | 25.7 | Very low | 125 Ų | 125 | 133.5 Ų | 133.5 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -104.6 | 151.8 | 152.9 | 33.6 | -24.4 | 0 | 0 | 0 | 113.3 | ||||
| 1078 | T | 27.9 | Very low | 25.7 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -72.8 | 153.7 | -171.9 | 47.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1079 | P | 26.1 | Very low | 25.9 | Very low | 84 Ų | 84 | 133.9 Ų | 133.9 | 55% | 0.545 | 79% | 0.787 | S | S | . | * | trans | -82.7 | 145.5 | 167.3 | 35 | -33.2 | 0 | 0 | 0 | 111.8 | ||||
| 1080 | F | 27 | Very low | 26.1 | Very low | 183 Ų | 183 | 131.7 Ų | 131.7 | 80% | 0.803 | 78% | 0.778 | S | S | * | * | trans | -159.9 | 130.7 | 159.4 | -124.7 | -78.7 | 0 | 0 | 0 | 114.9 | ||||
| 1081 | D | 26.2 | Very low | 26.8 | Very low | 150 Ų | 150 | 130.2 Ų | 130.2 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | trans | 52.5 | 155.7 | 161.6 | -74.7 | -9.1 | 0 | 0 | 0 | 123.9 | ||||
| 1082 | A | 23.7 | Very low | 27.4 | Very low | 88 Ų | 88 | 123 Ų | 123 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | trans | -121.7 | -178.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1083 | S | 23.8 | Very low | 27.7 | Very low | 117 Ų | 117 | 117.5 Ų | 117.5 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | trans | 75.3 | 100.2 | -179.8 | 76.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1084 | T | 25.6 | Very low | 28.3 | Very low | 145 Ų | 145 | 112.5 Ų | 112.5 | 89% | 0.89 | 68% | 0.679 | S | S | * | * | -161.5 | 151.4 | 129 | -73 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 1085 | S | 23.3 | Very low | 28.7 | Very low | 102 Ų | 102 | 113 Ų | 113 | 71% | 0.713 | 68% | 0.676 | S | S | * | * | trans | -100.5 | 177.4 | -174.3 | 49.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 1086 | V | 26.9 | Very low | 29.2 | Very low | 124 Ų | 124 | 105.1 Ų | 105.1 | 75% | 0.752 | 65% | 0.647 | S | S | * | * | trans | 82.8 | 94.1 | 165.2 | -165.1 | 0 | 0 | 0 | 0 | 117.1 | E1088 | V1086-E1088 PolarHBondContact O-N 3.45Š| ||
| 1087 | T | 25.4 | Very low | 30.1 | Very low | 133 Ų | 133 | 100.5 Ų | 100.5 | 82% | 0.816 | 61% | 0.612 | S | S | * | * | 46.9 | 71.7 | 124.3 | -36.6 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 1088 | E | 26.3 | Very low | 30.8 | Very low | 181 Ų | 181 | 100.5 Ų | 100.5 | 85% | 0.846 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -157.5 | 167.9 | 148.2 | -119.7 | 170.4 | -144 | 0 | 0 | 111.2 | V1086 S1090 | V1086-E1088 PolarHBondContact O-N 3.45Å; E1088-S1090 PolarHBondContact O-N 3.32Å |
| 1089 | L | 31.2 | Very low | 31.8 | Very low | 124 Ų | 124 | 103.5 Ų | 103.5 | 65% | 0.649 | 60% | 0.603 | S | S | * | * | trans | -61.5 | 114.9 | -165.8 | -66.2 | 85 | 0 | 0 | 0 | 112.9 | F1092 | L1089-F1092 HydrophobicContact CB-CE2 3.78Å; L1089-F1092 HydrophobicContact CB-CZ 3.97Å; L1089-F1092 HydrophobicContact CD2-CZ 4.47Å; L1089-F1092 VanDerWaalsContact O-CD2 3.23Å; L1089-F1092 WeakPolarHBondContact O-CD2 3.41Å; L1089-F1092 WeakPolarHBondContact O-CE2 3.46Å | ||
| 1090 | S | 28.4 | Very low | 33.2 | Very low | 94 Ų | 94 | 101.3 Ų | 101.3 | 66% | 0.657 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -92.7 | 4.2 | -173.1 | 54.3 | 0 | 0 | 0 | 0 | 116 | E1088 F1092 | E1088-S1090 PolarHBondContact O-N 3.32Å; S1090-F1092 PolarHBondContact O-N 3.47Å; S1090-F1092 VanDerWaalsContact O-N 3.07Å |
| 1091 | V | 38.3 | Very low | 34.8 | Very low | 48 Ų | 48 | 95.2 Ų | 95.2 | 29% | 0.291 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -61.4 | -18.7 | -178.5 | -176.9 | 0 | 0 | 0 | 0 | 113.3 | A1093 | V1091-A1093 PolarHBondContact O-N 3.42Å; V1091-A1093 VanDerWaalsContact O-N 3.15Å |
| 1092 | F | 36.3 | Very low | 36.6 | Very low | 43 Ų | 43 | 91.2 Ų | 91.2 | 19% | 0.189 | 56% | 0.555 | C | S | . | * | G | 310 helix | trans | -79.9 | 8.4 | -171.6 | -44 | -48.5 | 0 | 0 | 0 | 115.4 | L1089 S1090 N1094 Y1097 Q1098 R1109 | L1089-F1092 HydrophobicContact CB-CE2 3.78Å; L1089-F1092 HydrophobicContact CB-CZ 3.97Å; L1089-F1092 HydrophobicContact CD2-CZ 4.47Å; L1089-F1092 VanDerWaalsContact O-CD2 3.23Å; L1089-F1092 WeakPolarHBondContact O-CD2 3.41Å; L1089-F1092 WeakPolarHBondContact O-CE2 3.46Å; S1090-F1092 PolarHBondContact O-N 3.47Å; S1090-F1092 VanDerWaalsContact O-N 3.07Å; F1092-N1094 PolarHBondContact O-N 3.49Å; F1092-Y1097 HydrophobicContact CB-CD1 4.3Å; F1092-Y1097 HydrophobicContact CB-CE1 4.16Å; F1092-Y1097 HydrophobicContact CD1-CD1 4.18Å; F1092-Y1097 AromaticContact CD1-CE1 3.51Å; F1092-Y1097 HydrophobicContact CD1-CE1 3.51Å; F1092-Y1097 HydrophobicContact CD1-CE2 4.21Å; F1092-Y1097 AromaticContact CD1-CZ 3.53Å; F1092-Y1097 HydrophobicContact CE1-CE1 4.36Å; F1092-Y1097 AromaticContact CE1-CZ 3.96Å; F1092-Y1097 HydrophobicContact CG-CE1 4.13Å; F1092-Q1098 PolarHBondContact O-NE2 3.3Å; F1092-R1109 HydrophobicContact CE1-CG 3.52Å; F1092-R1109 VanDerWaalsContact CE1-NE 3.31Å; F1092-R1109 VanDerWaalsContact CG-NH2 3.32Å; F1092-R1109 HydrophobicContact CZ-CG 3.58Å |
| 1093 | A | 31.1 | Very low | 38.3 | Very low | 80 Ų | 80 | 90 Ų | 90 | 66% | 0.661 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -73 | -10.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | V1091 | V1091-A1093 PolarHBondContact O-N 3.42Å; V1091-A1093 VanDerWaalsContact O-N 3.15Å |
| 1094 | N | 37.5 | Very low | 40.3 | Very low | 25 Ų | 25 | 86 Ų | 86 | 13% | 0.134 | 51% | 0.505 | C | S | . | . | trans | -71.9 | 128 | -174.7 | -93.9 | -39.1 | 0 | 0 | 0 | 114.1 | F1092 G1096 Y1097 Q1098 F1526 | F1092-N1094 PolarHBondContact O-N 3.49Å; N1094-G1096 VanDerWaalsContact C-N 3.32Å; N1094-G1096 PolarHBondContact O-N 3.08Å; N1094-Y1097 WeakPolarHBondContact O-CB 3.23Å; N1094-Y1097 PolarHBondContact O-N 3.38Å; N1094-Y1097 VanDerWaalsContact O-N 3.15Å; N1094-Q1098 PolarHBondContact O-N 3.16Å; N1094-Q1098 VanDerWaalsContact O-N 3.16Å; N1094-F1526 PolarHBondContact ND2-O 2.9Å; N1094-F1526 PolarHBondContact OD1-O 3.38Å | ||
| 1095 | P | 34.1 | Very low | 42.3 | Very low | 94 Ų | 94 | 80.9 Ų | 80.9 | 61% | 0.61 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.3 | -34.4 | 176.7 | -25.8 | 34.9 | 0 | 0 | 0 | 114.6 | Q1098 K1099 | P1095-Q1098 PolarHBondContact O-N 2.94Å; P1095-K1099 PolarHBondContact O-N 3.37Å |
| 1096 | G | 38.6 | Very low | 44.5 | Very low | 30 Ų | 30 | 79.3 Ų | 79.3 | 31% | 0.309 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.4 | -42 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | N1094 Q1098 K1099 | N1094-G1096 VanDerWaalsContact C-N 3.32Å; N1094-G1096 PolarHBondContact O-N 3.08Å; G1096-Q1098 VanDerWaalsContact C-N 3.3Å; G1096-Q1098 PolarHBondContact O-N 2.9Å; G1096-K1099 WeakPolarHBondContact O-CB 3.47Å; G1096-K1099 PolarHBondContact O-N 2.97Å; G1096-K1099 VanDerWaalsContact O-N 3.11Å |
| 1097 | Y | 43.9 | Very low | 46.6 | Very low | 14 Ų | 14 | 73.8 Ų | 73.8 | 6% | 0.055 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -61.6 | -38.6 | 176.7 | -173.4 | -87.8 | 0 | 0 | 0 | 111.9 | F1092 N1094 K1099 L1100 Q1105 V1108 R1109 | F1092-Y1097 HydrophobicContact CB-CD1 4.3Å; F1092-Y1097 HydrophobicContact CB-CE1 4.16Å; F1092-Y1097 HydrophobicContact CD1-CD1 4.18Å; F1092-Y1097 AromaticContact CD1-CE1 3.51Å; F1092-Y1097 HydrophobicContact CD1-CE1 3.51Å; F1092-Y1097 HydrophobicContact CD1-CE2 4.21Å; F1092-Y1097 AromaticContact CD1-CZ 3.53Å; F1092-Y1097 HydrophobicContact CE1-CE1 4.36Å; F1092-Y1097 AromaticContact CE1-CZ 3.96Å; F1092-Y1097 HydrophobicContact CG-CE1 4.13Å; N1094-Y1097 WeakPolarHBondContact O-CB 3.23Å; N1094-Y1097 PolarHBondContact O-N 3.38Å; N1094-Y1097 VanDerWaalsContact O-N 3.15Å; Y1097-K1099 VanDerWaalsContact C-N 3.27Å; Y1097-K1099 PolarHBondContact O-N 3.36Å; Y1097-L1100 WeakPolarHBondContact O-CB 3.42Å; Y1097-L1100 PolarHBondContact O-N 2.85Å; Y1097-Q1105 HydrophobicContact CD1-CG 4.1Å; Y1097-Q1105 HydrophobicContact CE1-CB 3.89Å; Y1097-Q1105 HydrophobicContact CE1-CG 3.55Å; Y1097-Q1105 VanDerWaalsContact CE1-OE1 3.29Å; Y1097-Q1105 HydrophobicContact CE2-CG 4.46Å; Y1097-Q1105 PolarHBondContact O-NE2 2.92Å; Y1097-Q1105 WeakPolarHBondContact OH-CA 3.24Å; Y1097-Q1105 WeakPolarHBondContact OH-CB 3.48Å; Y1097-Q1105 PolarHBondContact OH-O 3.48Å; Y1097-V1108 HydrophobicContact CE2-CB 4.48Å; Y1097-V1108 HydrophobicContact CE2-CG1 4.25Å; Y1097-R1109 WeakPolarHBondContact OH-CG 3.49Å; Y1097-R1109 PolarHBondContact OH-NE 3.23Å |
| 1098 | Q | 44.9 | Very low | 48.7 | Very low | 124 Ų | 124 | 67.9 Ų | 67.9 | 58% | 0.579 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -70 | -18.2 | 177.6 | -66.4 | 176 | 14.1 | 0 | 0 | 114 | F1092 N1094 P1095 G1096 | F1092-Q1098 PolarHBondContact O-NE2 3.3Å; N1094-Q1098 PolarHBondContact O-N 3.16Å; N1094-Q1098 VanDerWaalsContact O-N 3.16Å; P1095-Q1098 PolarHBondContact O-N 2.94Å; G1096-Q1098 VanDerWaalsContact C-N 3.3Å; G1096-Q1098 PolarHBondContact O-N 2.9Å |
| 1099 | K | 49.4 | Very low | 51 | Low | 190 Ų | 190 | 64 Ų | 64 | 83% | 0.826 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -80.2 | -18.7 | 172.5 | -74.2 | -179.1 | 175.2 | -179.3 | 0 | 113.6 | P1095 G1096 Y1097 | P1095-K1099 PolarHBondContact O-N 3.37Å; G1096-K1099 WeakPolarHBondContact O-CB 3.47Å; G1096-K1099 PolarHBondContact O-N 2.97Å; G1096-K1099 VanDerWaalsContact O-N 3.11Å; Y1097-K1099 VanDerWaalsContact C-N 3.27Å; Y1097-K1099 PolarHBondContact O-N 3.36Å |
| 1100 | L | 55.9 | Low | 53.1 | Low | 38 Ų | 38 | 58.8 Ų | 58.8 | 20% | 0.199 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -74 | 147.9 | 176.1 | -63.6 | 169.6 | 0 | 0 | 0 | 110.5 | Y1097 I1104 Q1105 | Y1097-L1100 WeakPolarHBondContact O-CB 3.42Å; Y1097-L1100 PolarHBondContact O-N 2.85Å; L1100-I1104 HydrophobicContact CB-CB 4.39Å; L1100-I1104 HydrophobicContact CB-CG2 4.03Å; L1100-I1104 HydrophobicContact CD1-CG2 4.16Å; L1100-I1104 HydrophobicContact CD2-CG2 4.26Å; L1100-I1104 HydrophobicContact CG-CG2 4.38Å; L1100-Q1105 HydrophobicContact CB-CG 4.22Å; L1100-Q1105 PolarHBondContact O-NE2 3.3Å |
| 1101 | S | 60.2 | Low | 55.4 | Low | 56 Ų | 56 | 54.3 Ų | 54.3 | 39% | 0.392 | 30% | 0.3 | S | S | . | . | trans | -62.6 | 152.6 | 179.6 | 78 | 0 | 0 | 0 | 0 | 111.7 | D1103 I1104 Q1105 | S1101-D1103 PolarHBondContact O-N 3.22Å; S1101-I1104 PolarHBondContact O-N 3.14Å; S1101-I1104 WeakPolarHBondContact OG-CD1 3.18Å; S1101-I1104 WeakPolarHBondContact OG-CG1 3.19Å; S1101-I1104 PolarHBondContact OG-N 3.1Å; S1101-Q1105 WeakPolarHBondContact O-CG 3.19Å; S1101-Q1105 PolarHBondContact O-N 3.15Å | ||
| 1102 | A | 64.1 | Low | 57.1 | Low | 66 Ų | 66 | 55.4 Ų | 55.4 | 55% | 0.545 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.8 | -32.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | K1106 | A1102-K1106 WeakPolarHBondContact O-CG 3.23Å; A1102-K1106 PolarHBondContact O-N 3.27Å; A1102-K1106 VanDerWaalsContact O-N 3.07Å |
| 1103 | D | 59.9 | Low | 59 | Low | 63 Ų | 63 | 59.6 Ų | 59.6 | 34% | 0.337 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -70.3 | -38.9 | 175.8 | -72.3 | -10.5 | 0 | 0 | 0 | 111.3 | K1015 S1101 K1106 F1107 | K1015-D1103 IonicContact NZ-OD2 3.59Å; K1015-D1103 PolarHBondContact NZ-OD2 3.49Å; S1101-D1103 PolarHBondContact O-N 3.22Å; D1103-K1106 PolarHBondContact O-N 3.01Å; D1103-F1107 PolarHBondContact O-N 2.96Å |
| 1104 | I | 65.9 | Low | 61.3 | Low | 31 Ų | 31 | 56 Ų | 56 | 16% | 0.159 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 172.8 | -67.7 | 168.8 | 0 | 0 | 0 | 111.1 | L1100 S1101 K1106 F1107 V1108 Y1140 | L1100-I1104 HydrophobicContact CB-CB 4.39Å; L1100-I1104 HydrophobicContact CB-CG2 4.03Å; L1100-I1104 HydrophobicContact CD1-CG2 4.16Å; L1100-I1104 HydrophobicContact CD2-CG2 4.26Å; L1100-I1104 HydrophobicContact CG-CG2 4.38Å; S1101-I1104 PolarHBondContact O-N 3.14Å; S1101-I1104 WeakPolarHBondContact OG-CD1 3.18Å; S1101-I1104 WeakPolarHBondContact OG-CG1 3.19Å; S1101-I1104 PolarHBondContact OG-N 3.1Å; I1104-K1106 VanDerWaalsContact C-N 3.33Å; I1104-K1106 PolarHBondContact O-N 3.14Å; I1104-F1107 WeakPolarHBondContact O-CB 3Å; I1104-F1107 PolarHBondContact O-N 2.56Å; I1104-F1107 VanDerWaalsContact O-N 3.16Å; I1104-V1108 HydrophobicContact CG2-CG2 4.4Å; I1104-V1108 WeakPolarHBondContact O-CG2 3.47Å; I1104-V1108 PolarHBondContact O-N 2.76Å; I1104-Y1140 HydrophobicContact CG2-CE1 4.48Å; I1104-Y1140 WeakPolarHBondContact CG2-OH 3.19Å |
| 1105 | Q | 66 | Low | 63.3 | Low | 39 Ų | 39 | 57.7 Ų | 57.7 | 18% | 0.182 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59 | -43.6 | 176.1 | -70.4 | -175.7 | 34.4 | 0 | 0 | 111.5 | Y1097 L1100 S1101 R1109 | Y1097-Q1105 HydrophobicContact CD1-CG 4.1Å; Y1097-Q1105 HydrophobicContact CE1-CB 3.89Å; Y1097-Q1105 HydrophobicContact CE1-CG 3.55Å; Y1097-Q1105 VanDerWaalsContact CE1-OE1 3.29Å; Y1097-Q1105 HydrophobicContact CE2-CG 4.46Å; Y1097-Q1105 PolarHBondContact O-NE2 2.92Å; Y1097-Q1105 WeakPolarHBondContact OH-CA 3.24Å; Y1097-Q1105 WeakPolarHBondContact OH-CB 3.48Å; Y1097-Q1105 PolarHBondContact OH-O 3.48Å; L1100-Q1105 HydrophobicContact CB-CG 4.22Å; L1100-Q1105 PolarHBondContact O-NE2 3.3Å; S1101-Q1105 WeakPolarHBondContact O-CG 3.19Å; S1101-Q1105 PolarHBondContact O-N 3.15Å; Q1105-R1109 VanDerWaalsContact O-CG 3.31Å; Q1105-R1109 WeakPolarHBondContact O-CG 3.45Å; Q1105-R1109 PolarHBondContact O-N 3.07Å |
| 1106 | K | 70.4 | Confident | 65.3 | Low | 69 Ų | 69 | 56.8 Ų | 56.8 | 30% | 0.3 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 172.5 | -71.6 | 175.8 | -172.5 | -177.5 | 0 | 112.2 | N1017 W1020 A1102 D1103 I1104 R1109 F1110 | N1017-K1106 PolarHBondContact OD1-NZ 3.45Å; W1020-K1106 HydrophobicContact CH2-CB 4.15Å; W1020-K1106 HydrophobicContact CZ2-CB 4.2Å; W1020-K1106 HydrophobicContact CZ3-CB 4.39Å; A1102-K1106 WeakPolarHBondContact O-CG 3.23Å; A1102-K1106 PolarHBondContact O-N 3.27Å; A1102-K1106 VanDerWaalsContact O-N 3.07Å; D1103-K1106 PolarHBondContact O-N 3.01Å; I1104-K1106 VanDerWaalsContact C-N 3.33Å; I1104-K1106 PolarHBondContact O-N 3.14Å; K1106-R1109 PolarHBondContact O-N 3.35Å; K1106-F1110 WeakPolarHBondContact O-CB 3.16Å; K1106-F1110 PolarHBondContact O-N 2.89Å |
| 1107 | F | 71.6 | Confident | 67.3 | Low | 8 Ų | 8 | 55.6 Ų | 55.6 | 4% | 0.035 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.1 | -49.5 | 178.9 | 176.7 | -93.8 | 0 | 0 | 0 | 112.3 | W1020 F1050 D1103 I1104 F1110 A1111 V1136 L1137 Y1140 | W1020-F1107 HydrophobicContact CH2-CB 3.95Å; W1020-F1107 HydrophobicContact CH2-CD2 4.47Å; F1050-F1107 AromaticContact CD1-CE2 3.72Å; F1050-F1107 HydrophobicContact CD1-CE2 3.72Å; F1050-F1107 AromaticContact CD1-CZ 3.79Å; F1050-F1107 HydrophobicContact CD1-CZ 3.79Å; F1050-F1107 AromaticContact CE1-CE2 3.6Å; F1050-F1107 HydrophobicContact CE1-CE2 3.6Å; F1050-F1107 AromaticContact CE1-CZ 3.43Å; F1050-F1107 HydrophobicContact CE1-CZ 3.43Å; F1050-F1107 VanDerWaalsContact CE1-CZ 3.43Å; F1050-F1107 HydrophobicContact CG-CE2 4.3Å; F1050-F1107 HydrophobicContact CZ-CE2 4.09Å; F1050-F1107 HydrophobicContact CZ-CZ 4.19Å; D1103-F1107 PolarHBondContact O-N 2.96Å; I1104-F1107 WeakPolarHBondContact O-CB 3Å; I1104-F1107 PolarHBondContact O-N 2.56Å; I1104-F1107 VanDerWaalsContact O-N 3.16Å; F1107-F1110 PolarHBondContact O-N 3.05Å; F1107-A1111 WeakPolarHBondContact O-CB 3.23Å; F1107-A1111 PolarHBondContact O-N 3.09Å; F1107-V1136 HydrophobicContact CE1-CG1 3.7Å; F1107-V1136 HydrophobicContact CZ-CB 4.13Å; F1107-V1136 HydrophobicContact CZ-CG1 3.73Å; F1107-L1137 HydrophobicContact CE1-CD2 4.39Å; F1107-L1137 HydrophobicContact CZ-CD2 4.29Å; F1107-Y1140 HydrophobicContact CE1-CD2 4.13Å; F1107-Y1140 HydrophobicContact CE1-CE2 4.27Å |
| 1108 | V | 69.4 | Low | 69.1 | Low | 8 Ų | 8 | 55.3 Ų | 55.3 | 5% | 0.048 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.1 | -49.9 | 178.1 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | Y1097 I1104 F1110 A1111 E1112 Y1140 | Y1097-V1108 HydrophobicContact CE2-CB 4.48Å; Y1097-V1108 HydrophobicContact CE2-CG1 4.25Å; I1104-V1108 HydrophobicContact CG2-CG2 4.4Å; I1104-V1108 WeakPolarHBondContact O-CG2 3.47Å; I1104-V1108 PolarHBondContact O-N 2.76Å; V1108-F1110 VanDerWaalsContact C-N 3.27Å; V1108-F1110 PolarHBondContact O-N 2.8Å; V1108-A1111 PolarHBondContact O-N 3.39Å; V1108-E1112 VanDerWaalsContact CG1-CD 3.5Å; V1108-E1112 HydrophobicContact CG1-CG 4.2Å; V1108-E1112 VanDerWaalsContact CG1-OE1 3.3Å; V1108-E1112 WeakPolarHBondContact CG1-OE1 3.38Å; V1108-E1112 WeakPolarHBondContact O-CB 3.11Å; V1108-E1112 VanDerWaalsContact O-CG 3.28Å; V1108-E1112 WeakPolarHBondContact O-CG 3.35Å; V1108-E1112 PolarHBondContact O-N 3.15Å; V1108-Y1140 HydrophobicContact CG2-CD1 3.8Å; V1108-Y1140 HydrophobicContact CG2-CE1 3.69Å; V1108-Y1140 HydrophobicContact CG2-CG 4.46Å |
| 1109 | R | 72.9 | Confident | 70.9 | Confident | 100 Ų | 100 | 49.5 Ų | 49.5 | 38% | 0.377 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -55.9 | -40.7 | 178 | -70.5 | 173.6 | -165.4 | -155.1 | 1.9 | 113.1 | F1092 Y1097 Q1105 K1106 K1113 | F1092-R1109 HydrophobicContact CE1-CG 3.52Å; F1092-R1109 VanDerWaalsContact CE1-NE 3.31Å; F1092-R1109 VanDerWaalsContact CG-NH2 3.32Å; F1092-R1109 HydrophobicContact CZ-CG 3.58Å; Y1097-R1109 WeakPolarHBondContact OH-CG 3.49Å; Y1097-R1109 PolarHBondContact OH-NE 3.23Å; Q1105-R1109 VanDerWaalsContact O-CG 3.31Å; Q1105-R1109 WeakPolarHBondContact O-CG 3.45Å; Q1105-R1109 PolarHBondContact O-N 3.07Å; K1106-R1109 PolarHBondContact O-N 3.35Å; R1109-K1113 VanDerWaalsContact O-CB 3.23Å; R1109-K1113 WeakPolarHBondContact O-CB 3.29Å; R1109-K1113 PolarHBondContact O-N 3.16Å |
| 1110 | F | 77.1 | Confident | 72.4 | Confident | 14 Ų | 14 | 43.1 Ų | 43.1 | 6% | 0.061 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.3 | -46.2 | 179.5 | 172.6 | -89.3 | 0 | 0 | 0 | 111.5 | W1020 L1023 L1027 F1049 F1050 K1106 F1107 V1108 K1113 H1114 | W1020-F1110 HydrophobicContact CE3-CB 3.73Å; W1020-F1110 HydrophobicContact CE3-CD1 4.49Å; W1020-F1110 AromaticContact CE3-CD2 3.82Å; W1020-F1110 HydrophobicContact CE3-CD2 3.82Å; W1020-F1110 AromaticContact CE3-CG 3.77Å; W1020-F1110 HydrophobicContact CE3-CG 3.77Å; W1020-F1110 HydrophobicContact CZ3-CB 3.53Å; W1020-F1110 HydrophobicContact CZ3-CD1 4.17Å; W1020-F1110 HydrophobicContact CZ3-CD2 4.29Å; W1020-F1110 AromaticContact CZ3-CG 3.76Å; W1020-F1110 HydrophobicContact CZ3-CG 3.76Å; L1023-F1110 HydrophobicContact CB-CE2 4.44Å; L1023-F1110 HydrophobicContact CB-CZ 4.48Å; L1023-F1110 HydrophobicContact CD2-CE1 4.48Å; L1023-F1110 HydrophobicContact CD2-CE2 4.34Å; L1023-F1110 HydrophobicContact CD2-CZ 3.65Å; L1023-F1110 HydrophobicContact CG-CE2 4.28Å; L1023-F1110 HydrophobicContact CG-CZ 3.86Å; L1027-F1110 HydrophobicContact CD1-CE1 4.22Å; L1027-F1110 HydrophobicContact CD1-CE2 4.24Å; L1027-F1110 HydrophobicContact CD1-CZ 3.53Å; F1049-F1110 HydrophobicContact CD1-CE1 4.11Å; F1049-F1110 HydrophobicContact CD1-CZ 4.39Å; F1049-F1110 HydrophobicContact CE1-CD1 4.12Å; F1049-F1110 AromaticContact CE1-CE1 3.84Å; F1049-F1110 HydrophobicContact CE1-CE1 3.84Å; F1049-F1110 HydrophobicContact CE1-CZ 4.18Å; F1050-F1110 HydrophobicContact CE2-CE1 4.37Å; K1106-F1110 WeakPolarHBondContact O-CB 3.16Å; K1106-F1110 PolarHBondContact O-N 2.89Å; F1107-F1110 PolarHBondContact O-N 3.05Å; V1108-F1110 VanDerWaalsContact C-N 3.27Å; V1108-F1110 PolarHBondContact O-N 2.8Å; F1110-K1113 PolarHBondContact O-N 3.46Å; F1110-H1114 AromaticContact CD2-CD2 3.61Å; F1110-H1114 AromaticContact CD2-NE2 3.84Å; F1110-H1114 AromaticContact CE2-CD2 3.52Å; F1110-H1114 AromaticContact CE2-NE2 3.75Å; F1110-H1114 AromaticContact CG-CD2 3.98Å; F1110-H1114 AromaticContact CZ-CD2 3.8Å; F1110-H1114 PolarHBondContact O-CD2 3.32Å; F1110-H1114 PolarHBondContact O-N 3.22Å |
| 1111 | A | 75.3 | Confident | 73.6 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.9 | -33 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1107 V1108 R1115 L1118 I1143 | F1107-A1111 WeakPolarHBondContact O-CB 3.23Å; F1107-A1111 PolarHBondContact O-N 3.09Å; V1108-A1111 PolarHBondContact O-N 3.39Å; A1111-R1115 WeakPolarHBondContact O-CA 3.18Å; A1111-R1115 PolarHBondContact O-N 3.16Å; A1111-R1115 VanDerWaalsContact O-N 3.1Å; A1111-L1118 HydrophobicContact CB-CD2 4.03Å; A1111-I1143 HydrophobicContact CB-CD1 3.74Å; A1111-I1143 HydrophobicContact CB-CG2 4.2Å |
| 1112 | E | 74.3 | Confident | 74.7 | Confident | 71 Ų | 71 | 39.4 Ų | 39.4 | 33% | 0.332 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.3 | -49.2 | 167.6 | -71.8 | 168.2 | 161.9 | 0 | 0 | 111.6 | V1108 H1114 R1115 I1143 | V1108-E1112 VanDerWaalsContact CG1-CD 3.5Å; V1108-E1112 HydrophobicContact CG1-CG 4.2Å; V1108-E1112 VanDerWaalsContact CG1-OE1 3.3Å; V1108-E1112 WeakPolarHBondContact CG1-OE1 3.38Å; V1108-E1112 WeakPolarHBondContact O-CB 3.11Å; V1108-E1112 VanDerWaalsContact O-CG 3.28Å; V1108-E1112 WeakPolarHBondContact O-CG 3.35Å; V1108-E1112 PolarHBondContact O-N 3.15Å; E1112-H1114 VanDerWaalsContact C-N 3.26Å; E1112-H1114 PolarHBondContact O-N 2.85Å; E1112-R1115 WeakPolarHBondContact O-CB 3.39Å; E1112-R1115 PolarHBondContact O-N 2.86Å; E1112-I1143 HydrophobicContact CG-CD1 4.43Å; E1112-I1143 HydrophobicContact CG-CG1 4.31Å |
| 1113 | K | 77.2 | Confident | 75.6 | Confident | 132 Ų | 132 | 40.7 Ų | 40.7 | 57% | 0.574 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -58.9 | -35.1 | 179 | -177.4 | -179.8 | 179.5 | -174.4 | 0 | 113.1 | S1024 R1109 F1110 | S1024-K1113 WeakPolarHBondContact OG-CE 3.32Å; S1024-K1113 PolarHBondContact OG-NZ 2.95Å; R1109-K1113 VanDerWaalsContact O-CB 3.23Å; R1109-K1113 WeakPolarHBondContact O-CB 3.29Å; R1109-K1113 PolarHBondContact O-N 3.16Å; F1110-K1113 PolarHBondContact O-N 3.46Å |
| 1114 | H | 78.1 | Confident | 76.5 | Confident | 5 Ų | 5 | 40.6 Ų | 40.6 | 2% | 0.023 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 19.8 | -178.6 | -58.2 | -59.3 | 0 | 0 | 0 | 113.6 | S1024 L1027 S1028 F1110 E1112 S1116 V1117 L1118 | S1024-H1114 WeakPolarHBondContact CA-NE2 3.01Å; S1024-H1114 VanDerWaalsContact CB-NE2 3.35Å; S1024-H1114 WeakPolarHBondContact CB-NE2 3.39Å; S1024-H1114 PolarHBondContact O-CE1 3.32Å; S1024-H1114 VanDerWaalsContact O-CE1 3.24Å; S1024-H1114 PolarHBondContact OG-CE1 3.24Å; S1024-H1114 VanDerWaalsContact OG-CE1 3.23Å; S1024-H1114 PolarHBondContact OG-NE2 3.08Å; L1027-H1114 HydrophobicContact CB-CB 4.35Å; L1027-H1114 WeakPolarHBondContact CB-ND1 3.37Å; L1027-H1114 HydrophobicContact CD1-CB 4.05Å; S1028-H1114 PolarHBondContact OG-CE1 3.35Å; F1110-H1114 AromaticContact CD2-CD2 3.61Å; F1110-H1114 AromaticContact CD2-NE2 3.84Å; F1110-H1114 AromaticContact CE2-CD2 3.52Å; F1110-H1114 AromaticContact CE2-NE2 3.75Å; F1110-H1114 AromaticContact CG-CD2 3.98Å; F1110-H1114 AromaticContact CZ-CD2 3.8Å; F1110-H1114 PolarHBondContact O-CD2 3.32Å; F1110-H1114 PolarHBondContact O-N 3.22Å; E1112-H1114 VanDerWaalsContact C-N 3.26Å; E1112-H1114 PolarHBondContact O-N 2.85Å; H1114-S1116 VanDerWaalsContact C-N 3.29Å; H1114-S1116 PolarHBondContact O-N 3.13Å; H1114-S1116 VanDerWaalsContact O-N 3.14Å; H1114-V1117 PolarHBondContact O-N 3.02Å; H1114-V1117 VanDerWaalsContact O-N 3.14Å; H1114-L1118 WeakPolarHBondContact O-CB 3.14Å; H1114-L1118 PolarHBondContact O-N 3.36Å |
| 1115 | R | 80.6 | Confident | 76.8 | Confident | 60 Ų | 60 | 39.9 Ų | 39.9 | 23% | 0.226 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -44.9 | -49.4 | -175.5 | -176.7 | -160.4 | 177.1 | 94.6 | 12.1 | 113.2 | A1111 E1112 L1118 N1119 R1142 I1143 L1144 D1145 | A1111-R1115 WeakPolarHBondContact O-CA 3.18Å; A1111-R1115 PolarHBondContact O-N 3.16Å; A1111-R1115 VanDerWaalsContact O-N 3.1Å; E1112-R1115 WeakPolarHBondContact O-CB 3.39Å; E1112-R1115 PolarHBondContact O-N 2.86Å; R1115-L1118 PolarHBondContact O-N 2.95Å; R1115-N1119 WeakPolarHBondContact CG-ND2 3.5Å; R1115-N1119 WeakPolarHBondContact O-CB 3.28Å; R1115-N1119 PolarHBondContact O-N 2.72Å; R1115-N1119 PolarHBondContact O-ND2 2.81Å; R1115-R1142 PolarHBondContact NH1-O 3.26Å; R1115-I1143 WeakPolarHBondContact CG-O 3.21Å; R1115-I1143 PolarHBondContact NH1-O 3.09Å; R1115-L1144 PolarHBondContact NH2-O 2.72Å; R1115-D1145 IonicContact CZ-OD1 2.79Å; R1115-D1145 VanDerWaalsContact CZ-OD1 3.24Å; R1115-D1145 IonicContact NE-OD1 2.78Å; R1115-D1145 PolarHBondContact NE-OD1 3.44Å; R1115-D1145 IonicContact NH2-OD1 2.83Å; R1115-D1145 PolarHBondContact NH2-OD1 2.85Å |
| 1116 | S | 76.8 | Confident | 77.1 | Confident | 75 Ų | 75 | 47.5 Ų | 47.5 | 52% | 0.524 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61 | -50.5 | -176.6 | 49.1 | 0 | 0 | 0 | 0 | 112.1 | H1114 L1118 N1119 Q1120 | H1114-S1116 VanDerWaalsContact C-N 3.29Å; H1114-S1116 PolarHBondContact O-N 3.13Å; H1114-S1116 VanDerWaalsContact O-N 3.14Å; S1116-L1118 VanDerWaalsContact C-N 3.34Å; S1116-L1118 PolarHBondContact O-N 2.95Å; S1116-N1119 PolarHBondContact O-N 3.38Å; S1116-Q1120 WeakPolarHBondContact O-CB 3.45Å; S1116-Q1120 PolarHBondContact O-N 2.95Å |
| 1117 | V | 79.4 | Confident | 77.1 | Confident | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.03 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66 | -39.4 | -180 | -167 | 0 | 0 | 0 | 0 | 110.8 | L1027 A1031 V1039 H1114 Q1120 I1121 | L1027-V1117 HydrophobicContact CD2-CB 4.43Å; L1027-V1117 HydrophobicContact CD2-CG1 3.77Å; A1031-V1117 HydrophobicContact CB-CG2 3.82Å; V1039-V1117 HydrophobicContact CG1-CG1 3.66Å; V1039-V1117 HydrophobicContact CG2-CG1 4.31Å; H1114-V1117 PolarHBondContact O-N 3.02Å; H1114-V1117 VanDerWaalsContact O-N 3.14Å; V1117-Q1120 PolarHBondContact O-N 3.36Å; V1117-I1121 HydrophobicContact CG1-CD1 4.45Å; V1117-I1121 WeakPolarHBondContact O-CG1 3.27Å; V1117-I1121 PolarHBondContact O-N 3.47Å; V1117-I1121 VanDerWaalsContact O-N 3.08Å |
| 1118 | L | 81.6 | Confident | 77 | Confident | 8 Ų | 8 | 49 Ų | 49 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.4 | -47.8 | 177.1 | -177.5 | 60.5 | 0 | 0 | 0 | 112 | F1050 A1111 H1114 R1115 S1116 Q1120 I1121 L1122 F1134 L1137 I1143 | F1050-L1118 HydrophobicContact CE1-CD1 4.39Å; F1050-L1118 HydrophobicContact CE2-CD1 4.08Å; F1050-L1118 HydrophobicContact CZ-CD1 3.72Å; F1050-L1118 HydrophobicContact CZ-CD2 3.89Å; F1050-L1118 HydrophobicContact CZ-CG 4.48Å; A1111-L1118 HydrophobicContact CB-CD2 4.03Å; H1114-L1118 WeakPolarHBondContact O-CB 3.14Å; H1114-L1118 PolarHBondContact O-N 3.36Å; R1115-L1118 PolarHBondContact O-N 2.95Å; S1116-L1118 VanDerWaalsContact C-N 3.34Å; S1116-L1118 PolarHBondContact O-N 2.95Å; L1118-Q1120 VanDerWaalsContact C-N 3.32Å; L1118-Q1120 PolarHBondContact O-N 3.23Å; L1118-I1121 PolarHBondContact O-N 2.77Å; L1118-L1122 WeakPolarHBondContact O-CG 3.36Å; L1118-L1122 PolarHBondContact O-N 3.31Å; L1118-F1134 HydrophobicContact CD1-CD1 4.04Å; L1118-F1134 HydrophobicContact CD1-CE1 3.71Å; L1118-L1137 HydrophobicContact CD1-CD1 4.12Å; L1118-L1137 HydrophobicContact CD2-CD1 3.86Å; L1118-L1137 HydrophobicContact CD2-CD2 4.21Å; L1118-L1137 HydrophobicContact CG-CD1 4.14Å; L1118-I1143 HydrophobicContact CD2-CG2 4.04Å |
| 1119 | N | 83.5 | Confident | 77.3 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.7 | -32.3 | 176.8 | -76 | -88.1 | 0 | 0 | 0 | 111.6 | R1115 S1116 L1122 R1123 I1143 L1144 D1145 I1148 | R1115-N1119 WeakPolarHBondContact CG-ND2 3.5Å; R1115-N1119 WeakPolarHBondContact O-CB 3.28Å; R1115-N1119 PolarHBondContact O-N 2.72Å; R1115-N1119 PolarHBondContact O-ND2 2.81Å; S1116-N1119 PolarHBondContact O-N 3.38Å; N1119-L1122 PolarHBondContact O-N 2.81Å; N1119-R1123 VanDerWaalsContact O-CG 3.28Å; N1119-R1123 WeakPolarHBondContact O-CG 3.34Å; N1119-R1123 PolarHBondContact O-N 2.76Å; N1119-I1143 PolarHBondContact ND2-O 2.77Å; N1119-L1144 WeakPolarHBondContact OD1-CA 3.48Å; N1119-D1145 WeakPolarHBondContact CB-OD2 3.33Å; N1119-D1145 PolarHBondContact OD1-N 2.78Å; N1119-I1148 HydrophobicContact CB-CD1 3.74Å; N1119-I1148 WeakPolarHBondContact OD1-CD1 3.39Å |
| 1120 | Q | 80.9 | Confident | 77.1 | Confident | 57 Ų | 57 | 47.6 Ų | 47.6 | 27% | 0.266 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 172.2 | -174.5 | 59.6 | 22.5 | 0 | 0 | 112.1 | V1039 S1116 V1117 L1118 L1122 R1123 Q1124 | V1039-Q1120 HydrophobicContact CG1-CB 4.45Å; V1039-Q1120 HydrophobicContact CG1-CG 4.23Å; S1116-Q1120 WeakPolarHBondContact O-CB 3.45Å; S1116-Q1120 PolarHBondContact O-N 2.95Å; V1117-Q1120 PolarHBondContact O-N 3.36Å; L1118-Q1120 VanDerWaalsContact C-N 3.32Å; L1118-Q1120 PolarHBondContact O-N 3.23Å; Q1120-L1122 VanDerWaalsContact C-N 3.3Å; Q1120-L1122 PolarHBondContact O-N 3.4Å; Q1120-R1123 WeakPolarHBondContact O-CB 3.47Å; Q1120-R1123 PolarHBondContact O-N 2.9Å; Q1120-Q1124 PolarHBondContact O-N 2.98Å; Q1120-Q1124 PolarHBondContact O-OE1 2.99Å |
| 1121 | I | 80.2 | Confident | 76.4 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.1 | -41.4 | 174.4 | -65.8 | 164.6 | 0 | 0 | 0 | 110.6 | V1039 Q1043 V1046 V1117 L1118 Q1124 T1125 F1134 | V1039-I1121 HydrophobicContact CG1-CD1 4.25Å; V1039-I1121 HydrophobicContact CG1-CG1 3.73Å; Q1043-I1121 HydrophobicContact CB-CG2 4.48Å; Q1043-I1121 HydrophobicContact CG-CG2 4.02Å; V1046-I1121 HydrophobicContact CB-CD1 4.41Å; V1046-I1121 HydrophobicContact CG1-CD1 4.39Å; V1046-I1121 HydrophobicContact CG2-CD1 4.25Å; V1117-I1121 HydrophobicContact CG1-CD1 4.45Å; V1117-I1121 WeakPolarHBondContact O-CG1 3.27Å; V1117-I1121 PolarHBondContact O-N 3.47Å; V1117-I1121 VanDerWaalsContact O-N 3.08Å; L1118-I1121 PolarHBondContact O-N 2.77Å; I1121-Q1124 PolarHBondContact O-N 2.66Å; I1121-T1125 WeakPolarHBondContact O-CB 3.29Å; I1121-T1125 PolarHBondContact O-N 3.34Å; I1121-T1125 PolarHBondContact O-OG1 3.45Å; I1121-F1134 HydrophobicContact CG2-CE2 3.97Å; I1121-F1134 HydrophobicContact CG2-CZ 3.98Å |
| 1122 | L | 82.9 | Confident | 76 | Confident | 15 Ų | 15 | 51.2 Ų | 51.2 | 8% | 0.079 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.6 | -32.5 | 178.1 | -68.6 | 176.8 | 0 | 0 | 0 | 113.7 | L1118 N1119 Q1120 L1129 F1134 L1137 L1144 I1148 | L1118-L1122 WeakPolarHBondContact O-CG 3.36Å; L1118-L1122 PolarHBondContact O-N 3.31Å; N1119-L1122 PolarHBondContact O-N 2.81Å; Q1120-L1122 VanDerWaalsContact C-N 3.3Å; Q1120-L1122 PolarHBondContact O-N 3.4Å; L1122-L1129 HydrophobicContact CD1-CD1 4.29Å; L1122-L1129 HydrophobicContact CD2-CD1 3.81Å; L1122-F1134 HydrophobicContact CD2-CB 3.82Å; L1122-F1134 HydrophobicContact CD2-CD1 4.42Å; L1122-F1134 HydrophobicContact CD2-CD2 3.67Å; L1122-F1134 HydrophobicContact CD2-CE2 4.37Å; L1122-F1134 HydrophobicContact CD2-CG 3.7Å; L1122-L1137 HydrophobicContact CD1-CD1 3.94Å; L1122-L1144 HydrophobicContact CD1-CD2 3.66Å; L1122-I1148 HydrophobicContact CB-CD1 3.76Å; L1122-I1148 HydrophobicContact CB-CG1 4.41Å; L1122-I1148 HydrophobicContact CD1-CD1 4.45Å; L1122-I1148 HydrophobicContact CD1-CG2 4.48Å |
| 1123 | R | 83.7 | Confident | 75.6 | Confident | 92 Ų | 92 | 48.7 Ų | 48.7 | 35% | 0.347 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 172.6 | -70.5 | 162.7 | -166.4 | -72.6 | -11.3 | 111 | N1119 Q1120 D1145 D1147 I1148 | N1119-R1123 VanDerWaalsContact O-CG 3.28Å; N1119-R1123 WeakPolarHBondContact O-CG 3.34Å; N1119-R1123 PolarHBondContact O-N 2.76Å; Q1120-R1123 WeakPolarHBondContact O-CB 3.47Å; Q1120-R1123 PolarHBondContact O-N 2.9Å; R1123-D1145 IonicContact CZ-OD2 2.75Å; R1123-D1145 VanDerWaalsContact NH2-CB 3.32Å; R1123-D1145 IonicContact NH2-OD2 3.24Å; R1123-D1145 PolarHBondContact NH2-OD2 3.43Å; R1123-D1147 IonicContact CZ-OD1 3.86Å; R1123-D1147 IonicContact CZ-OD2 2.77Å; R1123-D1147 IonicContact NH1-OD1 2.86Å; R1123-D1147 PolarHBondContact NH1-OD1 2.63Å; R1123-D1147 IonicContact NH1-OD2 2.65Å; R1123-D1147 PolarHBondContact NH1-OD2 2.85Å; R1123-D1147 IonicContact NH2-OD1 2.78Å; R1123-D1147 PolarHBondContact NH2-OD1 2.97Å; R1123-D1147 IonicContact NH2-OD2 2.99Å; R1123-I1148 HydrophobicContact CG-CD1 4.15Å; R1123-I1148 HydrophobicContact CG-CG1 4.42Å |
| 1124 | Q | 79.1 | Confident | 75.4 | Confident | 61 Ų | 61 | 42.7 Ų | 42.7 | 29% | 0.285 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -77.9 | -22.4 | -177.5 | -67.5 | 164.8 | -42.9 | 0 | 0 | 113.4 | P1036 L1040 Q1120 I1121 | P1036-Q1124 PolarHBondContact O-NE2 3.3Å; L1040-Q1124 HydrophobicContact CD2-CB 4.05Å; L1040-Q1124 HydrophobicContact CD2-CG 4.46Å; L1040-Q1124 VanDerWaalsContact CD2-OE1 3.27Å; Q1120-Q1124 PolarHBondContact O-N 2.98Å; Q1120-Q1124 PolarHBondContact O-OE1 2.99Å; I1121-Q1124 PolarHBondContact O-N 2.66Å |
| 1125 | T | 73.2 | Confident | 75.1 | Confident | 17 Ų | 17 | 43.4 Ų | 43.4 | 10% | 0.104 | 24% | 0.235 | C | C | . | . | trans | -75.2 | 125.1 | -177.5 | -65.9 | 0 | 0 | 0 | 0 | 112.4 | I1121 V1127 | I1121-T1125 WeakPolarHBondContact O-CB 3.29Å; I1121-T1125 PolarHBondContact O-N 3.34Å; I1121-T1125 PolarHBondContact O-OG1 3.45Å; T1125-V1127 HydrophobicContact CG2-CB 3.69Å; T1125-V1127 HydrophobicContact CG2-CG2 4.1Å | ||
| 1126 | K | 72.1 | Confident | 74.8 | Confident | 199 Ų | 199 | 41.5 Ų | 41.5 | 87% | 0.865 | 23% | 0.23 | S | C | * | . | trans | -77.5 | -20.5 | 173.9 | -67.6 | -166.2 | 176.4 | -168.4 | 0 | 114 | ||||
| 1127 | V | 69.7 | Low | 74.7 | Confident | 76 Ų | 76 | 38 Ų | 38 | 46% | 0.461 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -66.9 | 133.6 | -178 | -178.7 | 0 | 0 | 0 | 0 | 111 | T1125 S1131 | T1125-V1127 HydrophobicContact CG2-CB 3.69Å; T1125-V1127 HydrophobicContact CG2-CG2 4.1Å; V1127-S1131 VanDerWaalsContact CG1-OG 3.25Å; V1127-S1131 WeakPolarHBondContact CG1-OG 3.06Å |
| 1128 | P | 69.3 | Low | 74.4 | Confident | 31 Ų | 31 | 39.1 Ų | 39.1 | 20% | 0.201 | 21% | 0.212 | C | C | . | . | trans | -62.3 | 138.1 | 176.3 | 8.5 | -11.2 | 0 | 0 | 0 | 112.2 | N1130 S1131 | P1128-N1130 VanDerWaalsContact C-N 3.31Å; P1128-N1130 PolarHBondContact O-N 2.73Å; P1128-S1131 WeakPolarHBondContact CD-OG 3.18Å; P1128-S1131 VanDerWaalsContact CG-OG 3.29Å; P1128-S1131 WeakPolarHBondContact CG-OG 3.48Å; P1128-S1131 CarbonylContact O-C 3.58Å; P1128-S1131 WeakPolarHBondContact O-CA 3.05Å; P1128-S1131 PolarHBondContact O-N 3.04Å; P1128-S1131 VanDerWaalsContact O-O 3.06Å; P1128-S1131 PolarHBondContact O-OG 3.02Å | ||
| 1129 | L | 75.1 | Confident | 73.9 | Confident | 20 Ų | 20 | 44.1 Ų | 44.1 | 11% | 0.105 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -31.5 | -172.5 | -174.2 | 68.3 | 0 | 0 | 0 | 113.8 | L1122 S1131 F1134 S1135 V1138 L1144 I1148 Y1152 | L1122-L1129 HydrophobicContact CD1-CD1 4.29Å; L1122-L1129 HydrophobicContact CD2-CD1 3.81Å; L1129-S1131 PolarHBondContact O-N 3.27Å; L1129-F1134 HydrophobicContact CD1-CB 3.99Å; L1129-S1135 WeakPolarHBondContact O-CA 3.47Å; L1129-V1138 HydrophobicContact CD2-CG2 4.16Å; L1129-V1138 HydrophobicContact CG-CG2 3.95Å; L1129-L1144 HydrophobicContact CD2-CD1 3.59Å; L1129-L1144 HydrophobicContact CD2-CD2 4.23Å; L1129-I1148 HydrophobicContact CD2-CG2 4.43Å; L1129-Y1152 HydrophobicContact CB-CD2 3.88Å; L1129-Y1152 HydrophobicContact CB-CE2 4.42Å; L1129-Y1152 HydrophobicContact CD2-CD2 4.21Å; L1129-Y1152 HydrophobicContact CD2-CG 4.49Å |
| 1130 | N | 68.9 | Low | 73.4 | Confident | 59 Ų | 59 | 45.9 Ų | 45.9 | 32% | 0.316 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -0.3 | 173.5 | 60.4 | -17.6 | 0 | 0 | 0 | 114.4 | P1128 S1135 V1138 Y1152 E1156 K1159 | P1128-N1130 VanDerWaalsContact C-N 3.31Å; P1128-N1130 PolarHBondContact O-N 2.73Å; N1130-S1135 WeakPolarHBondContact O-CB 3.44Å; N1130-V1138 HydrophobicContact CB-CG2 4.45Å; N1130-Y1152 HydrophobicContact CB-CE2 4.07Å; N1130-E1156 VanDerWaalsContact ND2-CD 3.25Å; N1130-E1156 PolarHBondContact ND2-OE1 2.91Å; N1130-E1156 PolarHBondContact ND2-OE2 2.97Å; N1130-E1156 PolarHBondContact OD1-OE1 2.74Å; N1130-K1159 PolarHBondContact ND2-NZ 3.09Å; N1130-K1159 PolarHBondContact OD1-NZ 3.24Å |
| 1131 | S | 61.9 | Low | 73 | Confident | 43 Ų | 43 | 45.1 Ų | 45.1 | 30% | 0.301 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -122 | 162 | 178.3 | 77.2 | 0 | 0 | 0 | 0 | 111.7 | V1127 P1128 L1129 | V1127-S1131 VanDerWaalsContact CG1-OG 3.25Å; V1127-S1131 WeakPolarHBondContact CG1-OG 3.06Å; P1128-S1131 WeakPolarHBondContact CD-OG 3.18Å; P1128-S1131 VanDerWaalsContact CG-OG 3.29Å; P1128-S1131 WeakPolarHBondContact CG-OG 3.48Å; P1128-S1131 CarbonylContact O-C 3.58Å; P1128-S1131 WeakPolarHBondContact O-CA 3.05Å; P1128-S1131 PolarHBondContact O-N 3.04Å; P1128-S1131 VanDerWaalsContact O-O 3.06Å; P1128-S1131 PolarHBondContact O-OG 3.02Å; L1129-S1131 PolarHBondContact O-N 3.27Å |
| 1132 | G | 66.9 | Low | 72.5 | Confident | 47 Ų | 47 | 49.8 Ų | 49.8 | 49% | 0.485 | 26% | 0.263 | S | S | . | . | S | Bend | trans | 64.8 | -157.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | F1134 S1135 | G1132-F1134 VanDerWaalsContact C-N 3.35Å; G1132-F1134 PolarHBondContact O-N 2.81Å; G1132-S1135 PolarHBondContact O-N 3.4Å; G1132-S1135 PolarHBondContact O-OG 3.49Å |
| 1133 | P | 66.2 | Low | 72.3 | Confident | 19 Ų | 19 | 49.3 Ų | 49.3 | 12% | 0.123 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -32.4 | -162.7 | 22.7 | -32 | 0 | 0 | 0 | 114.1 | E1047 I1051 | E1047-P1133 HydrophobicContact CB-CB 3.91Å; E1047-P1133 HydrophobicContact CB-CG 3.98Å; E1047-P1133 HydrophobicContact CG-CB 4.07Å; E1047-P1133 HydrophobicContact CG-CG 3.62Å; I1051-P1133 HydrophobicContact CD1-CB 3.99Å; I1051-P1133 HydrophobicContact CG1-CB 3.82Å |
| 1134 | F | 73.9 | Confident | 72.3 | Confident | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 4.6 | -172.5 | -63.6 | -63.8 | 0 | 0 | 0 | 114.4 | V1046 E1047 F1050 L1118 I1121 L1122 L1129 G1132 V1136 L1137 | V1046-F1134 HydrophobicContact CG1-CE1 3.92Å; V1046-F1134 HydrophobicContact CG1-CZ 4.05Å; E1047-F1134 HydrophobicContact CG-CE2 3.93Å; E1047-F1134 HydrophobicContact CG-CZ 4Å; F1050-F1134 HydrophobicContact CB-CD1 4.47Å; F1050-F1134 HydrophobicContact CB-CE1 4.46Å; F1050-F1134 AromaticContact CD1-CD1 3.71Å; F1050-F1134 HydrophobicContact CD1-CD1 3.71Å; F1050-F1134 HydrophobicContact CD1-CE1 4.12Å; F1050-F1134 HydrophobicContact CD2-CD1 4.38Å; F1050-F1134 AromaticContact CD2-CE1 3.95Å; F1050-F1134 HydrophobicContact CD2-CE1 3.95Å; F1050-F1134 AromaticContact CE1-CD1 3.96Å; F1050-F1134 HydrophobicContact CE1-CD1 3.96Å; F1050-F1134 HydrophobicContact CE1-CE1 4.35Å; F1050-F1134 HydrophobicContact CE2-CE1 4.19Å; F1050-F1134 AromaticContact CG-CD1 3.93Å; F1050-F1134 HydrophobicContact CG-CD1 3.93Å; F1050-F1134 AromaticContact CG-CE1 3.92Å; F1050-F1134 HydrophobicContact CG-CE1 3.92Å; F1050-F1134 HydrophobicContact CZ-CD1 4.41Å; F1050-F1134 HydrophobicContact CZ-CE1 4.39Å; L1118-F1134 HydrophobicContact CD1-CD1 4.04Å; L1118-F1134 HydrophobicContact CD1-CE1 3.71Å; I1121-F1134 HydrophobicContact CG2-CE2 3.97Å; I1121-F1134 HydrophobicContact CG2-CZ 3.98Å; L1122-F1134 HydrophobicContact CD2-CB 3.82Å; L1122-F1134 HydrophobicContact CD2-CD1 4.42Å; L1122-F1134 HydrophobicContact CD2-CD2 3.67Å; L1122-F1134 HydrophobicContact CD2-CE2 4.37Å; L1122-F1134 HydrophobicContact CD2-CG 3.7Å; L1129-F1134 HydrophobicContact CD1-CB 3.99Å; G1132-F1134 VanDerWaalsContact C-N 3.35Å; G1132-F1134 PolarHBondContact O-N 2.81Å; F1134-V1136 PolarHBondContact O-N 2.68Å; F1134-L1137 HydrophobicContact CB-CD1 4.2Å; F1134-L1137 HydrophobicContact CD1-CD1 4.12Å; F1134-L1137 WeakPolarHBondContact O-CB 3.44Å; F1134-L1137 PolarHBondContact O-N 3.27Å |
| 1135 | S | 71.9 | Confident | 72.5 | Confident | 19 Ų | 19 | 43.3 Ų | 43.3 | 13% | 0.133 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -61.7 | -12.3 | -174.8 | 60.2 | 0 | 0 | 0 | 0 | 116.3 | L1129 N1130 G1132 L1137 | L1129-S1135 WeakPolarHBondContact O-CA 3.47Å; N1130-S1135 WeakPolarHBondContact O-CB 3.44Å; G1132-S1135 PolarHBondContact O-N 3.4Å; G1132-S1135 PolarHBondContact O-OG 3.49Å; S1135-L1137 VanDerWaalsContact C-N 3.34Å |
| 1136 | V | 73 | Confident | 73.1 | Confident | 21 Ų | 21 | 43 Ų | 43 | 13% | 0.127 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -67.5 | -32.3 | 169 | -176.5 | 0 | 0 | 0 | 0 | 112.1 | A1054 F1107 F1134 V1138 N1139 Y1140 | A1054-V1136 HydrophobicContact CB-CG2 3.38Å; F1107-V1136 HydrophobicContact CE1-CG1 3.7Å; F1107-V1136 HydrophobicContact CZ-CB 4.13Å; F1107-V1136 HydrophobicContact CZ-CG1 3.73Å; F1134-V1136 PolarHBondContact O-N 2.68Å; V1136-V1138 PolarHBondContact O-N 3.17Å; V1136-N1139 PolarHBondContact O-N 2.85Å; V1136-N1139 VanDerWaalsContact O-N 3.14Å; V1136-Y1140 HydrophobicContact CG1-CD2 4.14Å; V1136-Y1140 HydrophobicContact CG1-CE2 3.86Å; V1136-Y1140 WeakPolarHBondContact O-CD2 3.48Å |
| 1137 | L | 76.3 | Confident | 73.7 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -69.9 | -16.8 | -174.1 | -66.4 | 174.7 | 0 | 0 | 0 | 113.9 | F1050 F1107 L1118 L1122 F1134 S1135 N1139 Y1140 I1143 L1144 | F1050-L1137 HydrophobicContact CE1-CD1 3.93Å; F1050-L1137 HydrophobicContact CE1-CD2 3.89Å; F1050-L1137 HydrophobicContact CE1-CG 3.87Å; F1107-L1137 HydrophobicContact CE1-CD2 4.39Å; F1107-L1137 HydrophobicContact CZ-CD2 4.29Å; L1118-L1137 HydrophobicContact CD1-CD1 4.12Å; L1118-L1137 HydrophobicContact CD2-CD1 3.86Å; L1118-L1137 HydrophobicContact CD2-CD2 4.21Å; L1118-L1137 HydrophobicContact CG-CD1 4.14Å; L1122-L1137 HydrophobicContact CD1-CD1 3.94Å; F1134-L1137 HydrophobicContact CB-CD1 4.2Å; F1134-L1137 HydrophobicContact CD1-CD1 4.12Å; F1134-L1137 WeakPolarHBondContact O-CB 3.44Å; F1134-L1137 PolarHBondContact O-N 3.27Å; S1135-L1137 VanDerWaalsContact C-N 3.34Å; L1137-N1139 PolarHBondContact O-N 2.84Å; L1137-Y1140 CarbonylContact O-C 3.55Å; L1137-Y1140 VanDerWaalsContact O-C 3.28Å; L1137-Y1140 PolarHBondContact O-N 3.33Å; L1137-I1143 HydrophobicContact CD2-CD1 4.38Å; L1137-L1144 HydrophobicContact CB-CD2 4.12Å; L1137-L1144 HydrophobicContact CD1-CD2 4.38Å |
| 1138 | V | 73 | Confident | 74.5 | Confident | 30 Ų | 30 | 33.5 Ų | 33.5 | 18% | 0.182 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -57.4 | -35.5 | 170.8 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | L1129 N1130 V1136 Y1140 T1141 Y1152 | L1129-V1138 HydrophobicContact CD2-CG2 4.16Å; L1129-V1138 HydrophobicContact CG-CG2 3.95Å; N1130-V1138 HydrophobicContact CB-CG2 4.45Å; V1136-V1138 PolarHBondContact O-N 3.17Å; V1138-Y1140 VanDerWaalsContact C-N 3.27Å; V1138-Y1140 PolarHBondContact O-N 3.31Å; V1138-T1141 WeakPolarHBondContact O-CG2 3.47Å; V1138-Y1152 HydrophobicContact CG1-CE1 4.39Å; V1138-Y1152 HydrophobicContact CG1-CE2 4.47Å; V1138-Y1152 WeakPolarHBondContact CG1-OH 3.15Å; V1138-Y1152 HydrophobicContact CG2-CE2 4.05Å |
| 1139 | N | 70 | Confident | 75.3 | Confident | 112 Ų | 112 | 32.6 Ų | 32.6 | 60% | 0.599 | 18% | 0.183 | S | C | * | . | G | 310 helix | trans | -78.6 | -9.8 | 177.6 | -62.1 | 9.5 | 0 | 0 | 0 | 113.1 | V1136 L1137 | V1136-N1139 PolarHBondContact O-N 2.85Å; V1136-N1139 VanDerWaalsContact O-N 3.14Å; L1137-N1139 PolarHBondContact O-N 2.84Å |
| 1140 | Y | 73.5 | Confident | 76 | Confident | 39 Ų | 39 | 33 Ų | 33 | 15% | 0.153 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -125.6 | 49.6 | -176.8 | -58.8 | -75.5 | 0 | 0 | 0 | 110.5 | I1104 F1107 V1108 V1136 L1137 V1138 R1142 I1143 | I1104-Y1140 HydrophobicContact CG2-CE1 4.48Å; I1104-Y1140 WeakPolarHBondContact CG2-OH 3.19Å; F1107-Y1140 HydrophobicContact CE1-CD2 4.13Å; F1107-Y1140 HydrophobicContact CE1-CE2 4.27Å; V1108-Y1140 HydrophobicContact CG2-CD1 3.8Å; V1108-Y1140 HydrophobicContact CG2-CE1 3.69Å; V1108-Y1140 HydrophobicContact CG2-CG 4.46Å; V1136-Y1140 HydrophobicContact CG1-CD2 4.14Å; V1136-Y1140 HydrophobicContact CG1-CE2 3.86Å; V1136-Y1140 WeakPolarHBondContact O-CD2 3.48Å; L1137-Y1140 CarbonylContact O-C 3.55Å; L1137-Y1140 VanDerWaalsContact O-C 3.28Å; L1137-Y1140 PolarHBondContact O-N 3.33Å; V1138-Y1140 VanDerWaalsContact C-N 3.27Å; V1138-Y1140 PolarHBondContact O-N 3.31Å; Y1140-R1142 PolarHBondContact O-N 2.99Å; Y1140-I1143 WeakPolarHBondContact O-CB 3.49Å; Y1140-I1143 WeakPolarHBondContact O-CG1 3.47Å; Y1140-I1143 PolarHBondContact O-N 2.86Å |
| 1141 | T | 73 | Confident | 76.8 | Confident | 41 Ų | 41 | 36 Ų | 36 | 25% | 0.252 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -47.6 | -33.4 | -175.3 | 62.1 | 0 | 0 | 0 | 0 | 114.2 | V1138 I1143 L1144 K1149 I1396 | V1138-T1141 WeakPolarHBondContact O-CG2 3.47Å; T1141-I1143 PolarHBondContact O-N 3.34Å; T1141-I1143 VanDerWaalsContact O-N 3.16Å; T1141-L1144 WeakPolarHBondContact O-CB 3.17Å; T1141-L1144 PolarHBondContact O-N 3.39Å; T1141-K1149 WeakPolarHBondContact O-CE 3.46Å; T1141-I1396 HydrophobicContact CG2-CB 4.38Å; T1141-I1396 HydrophobicContact CG2-CD1 4.47Å; T1141-I1396 HydrophobicContact CG2-CG1 3.78Å |
| 1142 | R | 69 | Low | 77.9 | Confident | 98 Ų | 98 | 35.7 Ų | 35.7 | 37% | 0.37 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -52.9 | -31.5 | 174.5 | -73.6 | -171.6 | -70.9 | -171.1 | -15.8 | 114.2 | R1115 Y1140 L1144 E1524 F1528 | R1115-R1142 PolarHBondContact NH1-O 3.26Å; Y1140-R1142 PolarHBondContact O-N 2.99Å; R1142-L1144 VanDerWaalsContact C-N 3.3Å; R1142-E1524 WeakPolarHBondContact CD-OE2 3.41Å; R1142-F1528 PolarHBondContact NH1-O 3.06Å; R1142-F1528 PolarHBondContact NH2-O 2.85Å; R1142-F1528 VanDerWaalsContact NH2-O 3.11Å |
| 1143 | I | 78.3 | Confident | 78.9 | Confident | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.026 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -76.4 | -21.1 | -178.7 | -53.3 | -179.2 | 0 | 0 | 0 | 111.4 | A1111 E1112 R1115 L1118 N1119 L1137 Y1140 T1141 | A1111-I1143 HydrophobicContact CB-CD1 3.74Å; A1111-I1143 HydrophobicContact CB-CG2 4.2Å; E1112-I1143 HydrophobicContact CG-CD1 4.43Å; E1112-I1143 HydrophobicContact CG-CG1 4.31Å; R1115-I1143 WeakPolarHBondContact CG-O 3.21Å; R1115-I1143 PolarHBondContact NH1-O 3.09Å; L1118-I1143 HydrophobicContact CD2-CG2 4.04Å; N1119-I1143 PolarHBondContact ND2-O 2.77Å; L1137-I1143 HydrophobicContact CD2-CD1 4.38Å; Y1140-I1143 WeakPolarHBondContact O-CB 3.49Å; Y1140-I1143 WeakPolarHBondContact O-CG1 3.47Å; Y1140-I1143 PolarHBondContact O-N 2.86Å; T1141-I1143 PolarHBondContact O-N 3.34Å; T1141-I1143 VanDerWaalsContact O-N 3.16Å |
| 1144 | L | 83.2 | Confident | 79.8 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -84.2 | 141.7 | -177.3 | -54.6 | 174.3 | 0 | 0 | 0 | 111.8 | R1115 N1119 L1122 L1129 L1137 T1141 R1142 I1148 K1149 | R1115-L1144 PolarHBondContact NH2-O 2.72Å; N1119-L1144 WeakPolarHBondContact OD1-CA 3.48Å; L1122-L1144 HydrophobicContact CD1-CD2 3.66Å; L1129-L1144 HydrophobicContact CD2-CD1 3.59Å; L1129-L1144 HydrophobicContact CD2-CD2 4.23Å; L1137-L1144 HydrophobicContact CB-CD2 4.12Å; L1137-L1144 HydrophobicContact CD1-CD2 4.38Å; T1141-L1144 WeakPolarHBondContact O-CB 3.17Å; T1141-L1144 PolarHBondContact O-N 3.39Å; R1142-L1144 VanDerWaalsContact C-N 3.3Å; L1144-I1148 HydrophobicContact CB-CG2 4.38Å; L1144-I1148 HydrophobicContact CD2-CG2 4.13Å; L1144-K1149 HydrophobicContact CB-CG 3.93Å; L1144-K1149 WeakPolarHBondContact O-CE 3.4Å |
| 1145 | D | 84.1 | Confident | 80.2 | Confident | 27 Ų | 27 | 44.2 Ų | 44.2 | 14% | 0.144 | 20% | 0.201 | C | C | . | . | trans | -75.4 | 156.7 | 171.3 | -63.5 | -23.2 | 0 | 0 | 0 | 111.7 | R1115 N1119 R1123 D1147 I1148 K1149 | R1115-D1145 IonicContact CZ-OD1 2.79Å; R1115-D1145 VanDerWaalsContact CZ-OD1 3.24Å; R1115-D1145 IonicContact NE-OD1 2.78Å; R1115-D1145 PolarHBondContact NE-OD1 3.44Å; R1115-D1145 IonicContact NH2-OD1 2.83Å; R1115-D1145 PolarHBondContact NH2-OD1 2.85Å; N1119-D1145 WeakPolarHBondContact CB-OD2 3.33Å; N1119-D1145 PolarHBondContact OD1-N 2.78Å; R1123-D1145 IonicContact CZ-OD2 2.75Å; R1123-D1145 VanDerWaalsContact NH2-CB 3.32Å; R1123-D1145 IonicContact NH2-OD2 3.24Å; R1123-D1145 PolarHBondContact NH2-OD2 3.43Å; D1145-D1147 VanDerWaalsContact C-N 3.32Å; D1145-D1147 PolarHBondContact O-N 2.67Å; D1145-I1148 HydrophobicContact CB-CD1 4.46Å; D1145-I1148 PolarHBondContact O-N 2.82Å; D1145-I1148 VanDerWaalsContact O-N 3.09Å; D1145-K1149 WeakPolarHBondContact O-CG 3.45Å; D1145-K1149 PolarHBondContact O-N 2.89Å | ||
| 1146 | F | 84.5 | Confident | 80.5 | Confident | 11 Ų | 11 | 44.5 Ų | 44.5 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57 | -39.6 | -172 | 173.2 | -121.5 | 0 | 0 | 0 | 113.9 | K1149 R1150 F1397 E1401 L1404 L1405 L1409 | F1146-K1149 WeakPolarHBondContact O-CB 3.14Å; F1146-K1149 PolarHBondContact O-N 2.79Å; F1146-R1150 WeakPolarHBondContact O-CB 3.4Å; F1146-R1150 PolarHBondContact O-N 2.62Å; F1146-F1397 AromaticContact CD2-CD1 3.95Å; F1146-F1397 HydrophobicContact CD2-CD1 3.95Å; F1146-F1397 AromaticContact CD2-CE1 3.91Å; F1146-F1397 HydrophobicContact CD2-CE1 3.91Å; F1146-F1397 AromaticContact CE2-CD1 3.91Å; F1146-F1397 HydrophobicContact CE2-CD1 3.91Å; F1146-F1397 AromaticContact CE2-CE1 3.77Å; F1146-F1397 HydrophobicContact CE2-CE1 3.77Å; F1146-E1401 HydrophobicContact CB-CG 4.33Å; F1146-E1401 HydrophobicContact CD2-CB 3.7Å; F1146-E1401 HydrophobicContact CD2-CG 3.66Å; F1146-E1401 HydrophobicContact CE2-CB 3.88Å; F1146-E1401 HydrophobicContact CE2-CG 4.31Å; F1146-E1401 VanDerWaalsContact CE2-O 3.29Å; F1146-E1401 WeakPolarHBondContact CE2-O 3.49Å; F1146-E1401 HydrophobicContact CG-CG 4.22Å; F1146-L1404 HydrophobicContact CE1-CB 3.98Å; F1146-L1404 HydrophobicContact CZ-CB 3.83Å; F1146-L1405 HydrophobicContact CE2-CB 4.41Å; F1146-L1405 HydrophobicContact CZ-CB 4.36Å; F1146-L1409 HydrophobicContact CD1-CD1 4.49Å; F1146-L1409 HydrophobicContact CE1-CD1 4.28Å; F1146-L1409 HydrophobicContact CE1-CD2 4.45Å; F1146-L1409 HydrophobicContact CE1-CG 4.3Å |
| 1147 | D | 84.9 | Confident | 80.6 | Confident | 64 Ų | 64 | 44.2 Ų | 44.2 | 34% | 0.342 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -71 | -33 | 178.8 | 64.3 | -77.6 | 0 | 0 | 0 | 112.9 | R1123 D1145 R1150 K1151 | R1123-D1147 IonicContact CZ-OD1 3.86Å; R1123-D1147 IonicContact CZ-OD2 2.77Å; R1123-D1147 IonicContact NH1-OD1 2.86Å; R1123-D1147 PolarHBondContact NH1-OD1 2.63Å; R1123-D1147 IonicContact NH1-OD2 2.65Å; R1123-D1147 PolarHBondContact NH1-OD2 2.85Å; R1123-D1147 IonicContact NH2-OD1 2.78Å; R1123-D1147 PolarHBondContact NH2-OD1 2.97Å; R1123-D1147 IonicContact NH2-OD2 2.99Å; D1145-D1147 VanDerWaalsContact C-N 3.32Å; D1145-D1147 PolarHBondContact O-N 2.67Å; D1147-R1150 PolarHBondContact O-N 3.07Å; D1147-K1151 VanDerWaalsContact O-CB 3.29Å; D1147-K1151 WeakPolarHBondContact O-CB 3.48Å; D1147-K1151 PolarHBondContact O-N 2.71Å |
| 1148 | I | 86.4 | Confident | 80.4 | Confident | 11 Ų | 11 | 47.9 Ų | 47.9 | 6% | 0.056 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.4 | -42.1 | 173.3 | -70 | 158.9 | 0 | 0 | 0 | 109.9 | N1119 L1122 R1123 L1129 L1144 D1145 R1150 K1151 Y1152 | N1119-I1148 HydrophobicContact CB-CD1 3.74Å; N1119-I1148 WeakPolarHBondContact OD1-CD1 3.39Å; L1122-I1148 HydrophobicContact CB-CD1 3.76Å; L1122-I1148 HydrophobicContact CB-CG1 4.41Å; L1122-I1148 HydrophobicContact CD1-CD1 4.45Å; L1122-I1148 HydrophobicContact CD1-CG2 4.48Å; R1123-I1148 HydrophobicContact CG-CD1 4.15Å; R1123-I1148 HydrophobicContact CG-CG1 4.42Å; L1129-I1148 HydrophobicContact CD2-CG2 4.43Å; L1144-I1148 HydrophobicContact CB-CG2 4.38Å; L1144-I1148 HydrophobicContact CD2-CG2 4.13Å; D1145-I1148 HydrophobicContact CB-CD1 4.46Å; D1145-I1148 PolarHBondContact O-N 2.82Å; D1145-I1148 VanDerWaalsContact O-N 3.09Å; I1148-R1150 VanDerWaalsContact C-N 3.33Å; I1148-R1150 PolarHBondContact O-N 2.78Å; I1148-K1151 PolarHBondContact O-N 2.72Å; I1148-Y1152 WeakPolarHBondContact O-CB 3.4Å; I1148-Y1152 PolarHBondContact O-N 2.89Å |
| 1149 | K | 87.9 | Confident | 80.3 | Confident | 11 Ų | 11 | 50.2 Ų | 50.2 | 5% | 0.048 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.7 | -44.3 | 170.5 | -65.3 | 174.4 | 173.8 | 170.3 | 0 | 111.4 | T1141 L1144 D1145 F1146 Y1152 F1153 I1396 F1397 E1401 | T1141-K1149 WeakPolarHBondContact O-CE 3.46Å; L1144-K1149 HydrophobicContact CB-CG 3.93Å; L1144-K1149 WeakPolarHBondContact O-CE 3.4Å; D1145-K1149 WeakPolarHBondContact O-CG 3.45Å; D1145-K1149 PolarHBondContact O-N 2.89Å; F1146-K1149 WeakPolarHBondContact O-CB 3.14Å; F1146-K1149 PolarHBondContact O-N 2.79Å; K1149-Y1152 PolarHBondContact O-N 2.99Å; K1149-F1153 VanDerWaalsContact O-CB 3.27Å; K1149-F1153 WeakPolarHBondContact O-CB 3.45Å; K1149-F1153 PolarHBondContact O-N 3.19Å; K1149-I1396 HydrophobicContact CB-CD1 3.91Å; K1149-I1396 HydrophobicContact CB-CG1 4.01Å; K1149-I1396 HydrophobicContact CD-CG1 4.24Å; K1149-I1396 WeakPolarHBondContact CE-O 3.15Å; K1149-I1396 HydrophobicContact CG-CD1 4Å; K1149-I1396 HydrophobicContact CG-CG1 3.83Å; K1149-F1397 HydrophobicContact CB-CD1 4.07Å; K1149-F1397 HydrophobicContact CB-CE1 3.57Å; K1149-F1397 HydrophobicContact CB-CZ 4.32Å; K1149-F1397 HydrophobicContact CD-CD1 4.19Å; K1149-E1401 IonicContact NZ-OE1 3.18Å; K1149-E1401 PolarHBondContact NZ-OE1 3.07Å; K1149-E1401 IonicContact NZ-OE2 2.65Å; K1149-E1401 PolarHBondContact NZ-OE2 2.74Å |
| 1150 | R | 88.1 | Confident | 80.2 | Confident | 29 Ų | 29 | 48 Ų | 48 | 11% | 0.109 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.3 | -40.6 | 178.7 | -170 | 176.4 | -179.4 | -171.6 | 0.1 | 112.9 | F1146 D1147 I1148 F1153 R1154 N1276 Y1278 L1405 | F1146-R1150 WeakPolarHBondContact O-CB 3.4Å; F1146-R1150 PolarHBondContact O-N 2.62Å; D1147-R1150 PolarHBondContact O-N 3.07Å; I1148-R1150 VanDerWaalsContact C-N 3.33Å; I1148-R1150 PolarHBondContact O-N 2.78Å; R1150-F1153 PolarHBondContact O-N 2.94Å; R1150-R1154 PolarHBondContact O-N 3.28Å; R1150-N1276 PolarHBondContact NH2-OD1 3.12Å; R1150-Y1278 PolarHBondContact NH1-OH 2.91Å; R1150-Y1278 VanDerWaalsContact NH2-CE1 3.25Å; R1150-Y1278 PolarHBondContact NH2-OH 2.77Å; R1150-L1405 HydrophobicContact CG-CD1 4.08Å |
| 1151 | K | 85.7 | Confident | 79.6 | Confident | 121 Ų | 121 | 46.5 Ų | 46.5 | 53% | 0.526 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.9 | -39.8 | 174.5 | -171.8 | -179.7 | -177.6 | -175.2 | 0 | 111.4 | D1147 I1148 R1155 | D1147-K1151 VanDerWaalsContact O-CB 3.29Å; D1147-K1151 WeakPolarHBondContact O-CB 3.48Å; D1147-K1151 PolarHBondContact O-N 2.71Å; I1148-K1151 PolarHBondContact O-N 2.72Å; K1151-R1155 WeakPolarHBondContact O-CB 3.46Å; K1151-R1155 PolarHBondContact O-N 3.07Å |
| 1152 | Y | 85.7 | Confident | 78.9 | Confident | 38 Ų | 38 | 48.2 Ų | 48.2 | 15% | 0.149 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.4 | -52.1 | 172.3 | 177.5 | -99.5 | 0 | 0 | 0 | 111.9 | L1129 N1130 V1138 I1148 K1149 R1154 R1155 E1156 I1396 | L1129-Y1152 HydrophobicContact CB-CD2 3.88Å; L1129-Y1152 HydrophobicContact CB-CE2 4.42Å; L1129-Y1152 HydrophobicContact CD2-CD2 4.21Å; L1129-Y1152 HydrophobicContact CD2-CG 4.49Å; N1130-Y1152 HydrophobicContact CB-CE2 4.07Å; V1138-Y1152 HydrophobicContact CG1-CE1 4.39Å; V1138-Y1152 HydrophobicContact CG1-CE2 4.47Å; V1138-Y1152 WeakPolarHBondContact CG1-OH 3.15Å; V1138-Y1152 HydrophobicContact CG2-CE2 4.05Å; I1148-Y1152 WeakPolarHBondContact O-CB 3.4Å; I1148-Y1152 PolarHBondContact O-N 2.89Å; K1149-Y1152 PolarHBondContact O-N 2.99Å; Y1152-R1154 PolarHBondContact O-N 3.48Å; Y1152-R1155 PolarHBondContact O-N 2.95Å; Y1152-E1156 HydrophobicContact CD1-CG 4.28Å; Y1152-E1156 HydrophobicContact CD2-CG 3.98Å; Y1152-E1156 HydrophobicContact CE1-CG 3.84Å; Y1152-E1156 HydrophobicContact CE2-CG 3.51Å; Y1152-E1156 HydrophobicContact CG-CG 4.36Å; Y1152-E1156 VanDerWaalsContact CZ-CG 3.43Å; Y1152-E1156 PolarHBondContact O-N 3.26Å; Y1152-I1396 HydrophobicContact CD1-CD1 3.45Å; Y1152-I1396 VanDerWaalsContact CD1-CD1 3.45Å; Y1152-I1396 HydrophobicContact CE1-CD1 4.08Å; Y1152-I1396 HydrophobicContact CG-CD1 4.27Å |
| 1153 | F | 88.6 | Confident | 78 | Confident | 8 Ų | 8 | 48.2 Ų | 48.2 | 4% | 0.035 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -51.1 | -53 | 178.8 | 174.6 | -91.9 | 0 | 0 | 0 | 111.5 | K1149 R1150 R1155 Y1157 V1273 I1389 L1393 I1394 F1397 | K1149-F1153 VanDerWaalsContact O-CB 3.27Å; K1149-F1153 WeakPolarHBondContact O-CB 3.45Å; K1149-F1153 PolarHBondContact O-N 3.19Å; R1150-F1153 PolarHBondContact O-N 2.94Å; F1153-R1155 PolarHBondContact O-N 3.01Å; F1153-Y1157 VanDerWaalsContact O-CB 3.28Å; F1153-Y1157 WeakPolarHBondContact O-CB 3.47Å; F1153-Y1157 PolarHBondContact O-N 2.95Å; F1153-V1273 HydrophobicContact CE1-CG1 3.92Å; F1153-V1273 HydrophobicContact CZ-CG1 4.01Å; F1153-I1389 HydrophobicContact CE2-CG2 3.84Å; F1153-I1389 HydrophobicContact CZ-CD1 4.15Å; F1153-I1389 HydrophobicContact CZ-CG1 4.46Å; F1153-I1389 HydrophobicContact CZ-CG2 3.84Å; F1153-L1393 HydrophobicContact CD2-CD1 4.16Å; F1153-L1393 HydrophobicContact CD2-CD2 4.39Å; F1153-L1393 HydrophobicContact CD2-CG 3.73Å; F1153-L1393 HydrophobicContact CE2-CD2 4.29Å; F1153-L1393 HydrophobicContact CE2-CG 3.86Å; F1153-I1394 HydrophobicContact CE2-CD1 3.81Å; F1153-I1394 HydrophobicContact CZ-CD1 4.17Å; F1153-F1397 HydrophobicContact CB-CE2 4.04Å; F1153-F1397 HydrophobicContact CB-CZ 3.84Å; F1153-F1397 AromaticContact CD2-CE2 3.69Å; F1153-F1397 HydrophobicContact CD2-CE2 3.69Å; F1153-F1397 HydrophobicContact CD2-CZ 4.36Å; F1153-F1397 HydrophobicContact CE2-CE2 4.31Å; F1153-F1397 AromaticContact CG-CE2 3.85Å; F1153-F1397 HydrophobicContact CG-CE2 3.85Å; F1153-F1397 HydrophobicContact CG-CZ 4.07Å |
| 1154 | R | 85.3 | Confident | 76.8 | Confident | 124 Ų | 124 | 51.4 Ų | 51.4 | 47% | 0.468 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.1 | -44.2 | 176.1 | -71.9 | -159.8 | -159.9 | 153.8 | 6.3 | 112.3 | R1150 Y1152 Y1157 V1158 N1276 | R1150-R1154 PolarHBondContact O-N 3.28Å; Y1152-R1154 PolarHBondContact O-N 3.48Å; R1154-Y1157 PolarHBondContact O-N 3.09Å; R1154-V1158 VanDerWaalsContact O-CG2 3.31Å; R1154-V1158 WeakPolarHBondContact O-CG2 3.36Å; R1154-V1158 PolarHBondContact O-N 3.08Å; R1154-N1276 PolarHBondContact NE-OD1 2.82Å; R1154-N1276 PolarHBondContact NH2-ND2 3.16Å; R1154-N1276 VanDerWaalsContact NH2-ND2 3.15Å; R1154-N1276 PolarHBondContact NH2-OD1 3.19Å |
| 1155 | R | 81.5 | Confident | 75.1 | Confident | 119 Ų | 119 | 57 Ų | 57 | 45% | 0.449 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69.8 | -37.8 | -174.9 | -169.4 | 169.6 | -169.6 | 167.1 | 8.8 | 113.2 | K1151 Y1152 F1153 K1159 | K1151-R1155 WeakPolarHBondContact O-CB 3.46Å; K1151-R1155 PolarHBondContact O-N 3.07Å; Y1152-R1155 PolarHBondContact O-N 2.95Å; F1153-R1155 PolarHBondContact O-N 3.01Å; R1155-K1159 WeakPolarHBondContact O-CG 3.45Å; R1155-K1159 PolarHBondContact O-N 3Å |
| 1156 | E | 78.7 | Confident | 73.3 | Confident | 25 Ų | 25 | 66 Ų | 66 | 12% | 0.117 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -72.5 | -34.5 | 173 | -60.3 | -45.9 | 114 | 0 | 0 | 111.6 | N1130 Y1152 K1159 I1160 L1393 | N1130-E1156 VanDerWaalsContact ND2-CD 3.25Å; N1130-E1156 PolarHBondContact ND2-OE1 2.91Å; N1130-E1156 PolarHBondContact ND2-OE2 2.97Å; N1130-E1156 PolarHBondContact OD1-OE1 2.74Å; Y1152-E1156 HydrophobicContact CD1-CG 4.28Å; Y1152-E1156 HydrophobicContact CD2-CG 3.98Å; Y1152-E1156 HydrophobicContact CE1-CG 3.84Å; Y1152-E1156 HydrophobicContact CE2-CG 3.51Å; Y1152-E1156 HydrophobicContact CG-CG 4.36Å; Y1152-E1156 VanDerWaalsContact CZ-CG 3.43Å; Y1152-E1156 PolarHBondContact O-N 3.26Å; E1156-K1159 VanDerWaalsContact CD-NZ 3.33Å; E1156-K1159 PolarHBondContact O-N 3.31Å; E1156-K1159 IonicContact OE1-NZ 3.35Å; E1156-K1159 PolarHBondContact OE1-NZ 3.31Å; E1156-K1159 IonicContact OE2-NZ 2.8Å; E1156-K1159 PolarHBondContact OE2-NZ 3.18Å; E1156-K1159 VanDerWaalsContact OE2-NZ 3.14Å; E1156-I1160 WeakPolarHBondContact O-CG1 3.39Å; E1156-I1160 PolarHBondContact O-N 2.93Å; E1156-L1393 HydrophobicContact CB-CD1 3.93Å |
| 1157 | Y | 75.4 | Confident | 71.7 | Confident | 14 Ų | 14 | 69.7 Ų | 69.7 | 6% | 0.055 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61 | -49.7 | 172.3 | -160.3 | -73.7 | 0 | 0 | 0 | 111.5 | F1153 R1154 K1159 I1160 T1161 F1274 I1388 I1389 L1393 | F1153-Y1157 VanDerWaalsContact O-CB 3.28Å; F1153-Y1157 WeakPolarHBondContact O-CB 3.47Å; F1153-Y1157 PolarHBondContact O-N 2.95Å; R1154-Y1157 PolarHBondContact O-N 3.09Å; Y1157-K1159 VanDerWaalsContact C-N 3.27Å; Y1157-K1159 PolarHBondContact O-N 2.89Å; Y1157-I1160 WeakPolarHBondContact O-CA 3.29Å; Y1157-I1160 WeakPolarHBondContact O-CB 3.42Å; Y1157-I1160 PolarHBondContact O-N 3.08Å; Y1157-T1161 HydrophobicContact CD1-CG2 4.3Å; Y1157-T1161 HydrophobicContact CE1-CG2 3.67Å; Y1157-T1161 PolarHBondContact O-N 2.77Å; Y1157-T1161 VanDerWaalsContact O-N 3.08Å; Y1157-T1161 PolarHBondContact O-OG1 2.67Å; Y1157-F1274 HydrophobicContact CD1-CD2 4.27Å; Y1157-F1274 HydrophobicContact CD1-CE2 4.24Å; Y1157-F1274 AromaticContact CE1-CD2 3.36Å; Y1157-F1274 HydrophobicContact CE1-CD2 3.36Å; Y1157-F1274 AromaticContact CE1-CE2 3.22Å; Y1157-F1274 HydrophobicContact CE1-CE2 3.22Å; Y1157-F1274 HydrophobicContact CE1-CG 4.37Å; Y1157-F1274 HydrophobicContact CE1-CZ 4.13Å; Y1157-F1274 HydrophobicContact CE2-CD2 4.45Å; Y1157-F1274 AromaticContact CZ-CD2 3.49Å; Y1157-F1274 VanDerWaalsContact CZ-CD2 3.49Å; Y1157-F1274 AromaticContact CZ-CE2 3.66Å; Y1157-F1274 WeakPolarHBondContact OH-CD2 3.19Å; Y1157-F1274 WeakPolarHBondContact OH-CE2 3.21Å; Y1157-I1388 VanDerWaalsContact CE2-O 3.29Å; Y1157-I1388 WeakPolarHBondContact CE2-O 3.32Å; Y1157-I1388 PolarHBondContact OH-O 2.88Å; Y1157-I1389 HydrophobicContact CE2-CG1 4.18Å; Y1157-L1393 HydrophobicContact CD2-CD2 3.82Å; Y1157-L1393 HydrophobicContact CG-CD2 4.44Å |
| 1158 | V | 72 | Confident | 70.1 | Confident | 77 Ų | 77 | 69.5 Ų | 69.5 | 47% | 0.467 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -55.3 | -40.9 | 178.8 | 166.8 | 0 | 0 | 0 | 0 | 111.8 | R1154 I1160 T1161 F1162 | R1154-V1158 VanDerWaalsContact O-CG2 3.31Å; R1154-V1158 WeakPolarHBondContact O-CG2 3.36Å; R1154-V1158 PolarHBondContact O-N 3.08Å; V1158-I1160 VanDerWaalsContact C-N 3.35Å; V1158-I1160 PolarHBondContact O-N 3.39Å; V1158-T1161 VanDerWaalsContact CA-OG1 3.3Å; V1158-T1161 WeakPolarHBondContact CA-OG1 3.2Å; V1158-T1161 PolarHBondContact O-N 3.48Å; V1158-T1161 PolarHBondContact O-OG1 3.07Å; V1158-F1162 HydrophobicContact CG1-CD2 4.23Å; V1158-F1162 PolarHBondContact O-N 3.5Å |
| 1159 | K | 70.6 | Confident | 68.5 | Low | 80 Ų | 80 | 71.6 Ų | 71.6 | 35% | 0.348 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.7 | -38.6 | 174.6 | -70.9 | 169.3 | -178.1 | 168.5 | 0 | 113.3 | N1130 R1155 E1156 Y1157 T1161 F1162 S1163 | N1130-K1159 PolarHBondContact ND2-NZ 3.09Å; N1130-K1159 PolarHBondContact OD1-NZ 3.24Å; R1155-K1159 WeakPolarHBondContact O-CG 3.45Å; R1155-K1159 PolarHBondContact O-N 3Å; E1156-K1159 VanDerWaalsContact CD-NZ 3.33Å; E1156-K1159 PolarHBondContact O-N 3.31Å; E1156-K1159 IonicContact OE1-NZ 3.35Å; E1156-K1159 PolarHBondContact OE1-NZ 3.31Å; E1156-K1159 IonicContact OE2-NZ 2.8Å; E1156-K1159 PolarHBondContact OE2-NZ 3.18Å; E1156-K1159 VanDerWaalsContact OE2-NZ 3.14Å; Y1157-K1159 VanDerWaalsContact C-N 3.27Å; Y1157-K1159 PolarHBondContact O-N 2.89Å; K1159-T1161 VanDerWaalsContact C-N 3.31Å; K1159-F1162 PolarHBondContact O-N 2.68Å; K1159-S1163 PolarHBondContact O-N 2.73Å; K1159-S1163 PolarHBondContact O-OG 3.29Å |
| 1160 | I | 67 | Low | 67.4 | Low | 66 Ų | 66 | 75.2 Ų | 75.2 | 34% | 0.338 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.8 | -31.9 | 178.2 | -65.9 | 163.8 | 0 | 0 | 0 | 110.7 | E1156 Y1157 V1158 S1163 L1393 | E1156-I1160 WeakPolarHBondContact O-CG1 3.39Å; E1156-I1160 PolarHBondContact O-N 2.93Å; Y1157-I1160 WeakPolarHBondContact O-CA 3.29Å; Y1157-I1160 WeakPolarHBondContact O-CB 3.42Å; Y1157-I1160 PolarHBondContact O-N 3.08Å; V1158-I1160 VanDerWaalsContact C-N 3.35Å; V1158-I1160 PolarHBondContact O-N 3.39Å; I1160-S1163 PolarHBondContact O-OG 3.43Å; I1160-S1163 VanDerWaalsContact O-OG 3.04Å; I1160-L1393 HydrophobicContact CD1-CD2 4.15Å |
| 1161 | T | 62.7 | Low | 67.1 | Low | 6 Ų | 6 | 78.2 Ų | 78.2 | 4% | 0.037 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -78.5 | -38.3 | 172.2 | 32.9 | 0 | 0 | 0 | 0 | 113.9 | Y1157 V1158 K1159 S1163 M1164 L1168 K1198 F1274 | Y1157-T1161 HydrophobicContact CD1-CG2 4.3Å; Y1157-T1161 HydrophobicContact CE1-CG2 3.67Å; Y1157-T1161 PolarHBondContact O-N 2.77Å; Y1157-T1161 VanDerWaalsContact O-N 3.08Å; Y1157-T1161 PolarHBondContact O-OG1 2.67Å; V1158-T1161 VanDerWaalsContact CA-OG1 3.3Å; V1158-T1161 WeakPolarHBondContact CA-OG1 3.2Å; V1158-T1161 PolarHBondContact O-N 3.48Å; V1158-T1161 PolarHBondContact O-OG1 3.07Å; K1159-T1161 VanDerWaalsContact C-N 3.31Å; T1161-S1163 VanDerWaalsContact C-N 3.29Å; T1161-S1163 PolarHBondContact O-N 3.26Å; T1161-M1164 CarbonylContact O-C 3.58Å; T1161-M1164 WeakPolarHBondContact O-CA 3.42Å; T1161-M1164 WeakPolarHBondContact O-CB 3.46Å; T1161-M1164 PolarHBondContact O-N 3.42Å; T1161-L1168 HydrophobicContact CG2-CD1 3.75Å; T1161-K1198 HydrophobicContact CG2-CB 4.47Å; T1161-K1198 HydrophobicContact CG2-CD 3.98Å; T1161-F1274 HydrophobicContact CG2-CE2 4.04Å; T1161-F1274 HydrophobicContact CG2-CZ 4.1Å |
| 1162 | F | 56.4 | Low | 67.1 | Low | 78 Ų | 78 | 73.7 Ų | 73.7 | 34% | 0.342 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60 | -39.8 | 176.5 | -116 | -106.8 | 0 | 0 | 0 | 110.8 | V1158 K1159 M1164 H1165 | V1158-F1162 HydrophobicContact CG1-CD2 4.23Å; V1158-F1162 PolarHBondContact O-N 3.5Å; K1159-F1162 PolarHBondContact O-N 2.68Å; F1162-M1164 PolarHBondContact O-N 2.91Å; F1162-H1165 AromaticContact CD1-CE1 3.44Å; F1162-H1165 VanDerWaalsContact CD1-CE1 3.44Å; F1162-H1165 WeakPolarHBondContact CD1-CE1 3.37Å; F1162-H1165 AromaticContact CD1-NE2 3.47Å; F1162-H1165 WeakPolarHBondContact CD1-NE2 3.49Å; F1162-H1165 AromaticContact CE1-CE1 3.5Å; F1162-H1165 VanDerWaalsContact CE1-CE1 3.5Å; F1162-H1165 WeakPolarHBondContact CE1-CE1 3.49Å; F1162-H1165 AromaticContact CE1-NE2 3.97Å; F1162-H1165 PolarHBondContact O-CD2 3.48Å; F1162-H1165 PolarHBondContact O-N 3.48Å; F1162-H1165 PolarHBondContact O-NE2 3.35Å |
| 1163 | S | 51.3 | Low | 67.3 | Low | 98 Ų | 98 | 74.5 Ų | 74.5 | 69% | 0.685 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 4.1 | 172.6 | 65.2 | 0 | 0 | 0 | 0 | 115.2 | K1159 I1160 T1161 | K1159-S1163 PolarHBondContact O-N 2.73Å; K1159-S1163 PolarHBondContact O-OG 3.29Å; I1160-S1163 PolarHBondContact O-OG 3.43Å; I1160-S1163 VanDerWaalsContact O-OG 3.04Å; T1161-S1163 VanDerWaalsContact C-N 3.29Å; T1161-S1163 PolarHBondContact O-N 3.26Å |
| 1164 | M | 52.3 | Low | 67.4 | Low | 72 Ų | 72 | 74.2 Ų | 74.2 | 36% | 0.355 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125 | 28.5 | 173.8 | -47.5 | -169.2 | 84.3 | 0 | 0 | 112.6 | T1161 F1162 R1166 W1167 E1195 | T1161-M1164 CarbonylContact O-C 3.58Å; T1161-M1164 WeakPolarHBondContact O-CA 3.42Å; T1161-M1164 WeakPolarHBondContact O-CB 3.46Å; T1161-M1164 PolarHBondContact O-N 3.42Å; F1162-M1164 PolarHBondContact O-N 2.91Å; M1164-R1166 PolarHBondContact O-N 3.04Å; M1164-W1167 PolarHBondContact O-N 2.76Å; M1164-E1195 HydrophobicContact CE-CG 3.8Å |
| 1165 | H | 47.8 | Very low | 67.7 | Low | 117 Ų | 117 | 75.9 Ų | 75.9 | 54% | 0.542 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -23.6 | -43.6 | -174.8 | -86.9 | -87.4 | 0 | 0 | 0 | 117.6 | F1162 W1167 | F1162-H1165 AromaticContact CD1-CE1 3.44Å; F1162-H1165 VanDerWaalsContact CD1-CE1 3.44Å; F1162-H1165 WeakPolarHBondContact CD1-CE1 3.37Å; F1162-H1165 AromaticContact CD1-NE2 3.47Å; F1162-H1165 WeakPolarHBondContact CD1-NE2 3.49Å; F1162-H1165 AromaticContact CE1-CE1 3.5Å; F1162-H1165 VanDerWaalsContact CE1-CE1 3.5Å; F1162-H1165 WeakPolarHBondContact CE1-CE1 3.49Å; F1162-H1165 AromaticContact CE1-NE2 3.97Å; F1162-H1165 PolarHBondContact O-CD2 3.48Å; F1162-H1165 PolarHBondContact O-N 3.48Å; F1162-H1165 PolarHBondContact O-NE2 3.35Å; H1165-W1167 PolarHBondContact O-N 2.92Å |
| 1166 | R | 47.5 | Very low | 68.3 | Low | 216 Ų | 216 | 70.2 Ų | 70.2 | 82% | 0.815 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -59.1 | -11.1 | -174.7 | -151.2 | 179.1 | -168 | 177.2 | 5.7 | 116.6 | M1164 | M1164-R1166 PolarHBondContact O-N 3.04Š|
| 1167 | W | 49.3 | Very low | 68.9 | Low | 89 Ų | 89 | 72.6 Ų | 72.6 | 34% | 0.337 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -126 | 6 | -169.5 | -55.7 | 104.3 | 0 | 0 | 0 | 115.6 | M1164 H1165 E1170 | M1164-W1167 PolarHBondContact O-N 2.76Å; H1165-W1167 PolarHBondContact O-N 2.92Å; W1167-E1170 WeakPolarHBondContact CZ3-OE1 3.49Å; W1167-E1170 WeakPolarHBondContact CZ3-OE2 3.49Å |
| 1168 | L | 51.4 | Low | 69.5 | Low | 61 Ų | 61 | 76 Ų | 76 | 32% | 0.319 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -89.6 | -23 | -177.1 | -128.7 | 67.9 | 0 | 0 | 0 | 114.1 | T1161 | T1161-L1168 HydrophobicContact CG2-CD1 3.75Š|
| 1169 | G | 52.9 | Low | 70.3 | Confident | 55 Ų | 55 | 77.4 Ų | 77.4 | 57% | 0.567 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -87.5 | -11.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | D1171 R1200 | G1169-D1171 PolarHBondContact O-N 2.73Å; G1169-R1200 PolarHBondContact O-NH2 3.37Å |
| 1170 | E | 65.9 | Low | 71.2 | Confident | 87 Ų | 87 | 79.8 Ų | 79.8 | 41% | 0.407 | 39% | 0.388 | S | S | . | . | trans | -72.5 | 113.7 | 180 | -73 | -168.7 | 170.4 | 0 | 0 | 111.8 | W1167 I1172 R1200 | W1167-E1170 WeakPolarHBondContact CZ3-OE1 3.49Å; W1167-E1170 WeakPolarHBondContact CZ3-OE2 3.49Å; E1170-I1172 PolarHBondContact O-N 2.75Å; E1170-R1200 PolarHBondContact O-N 2.75Å | ||
| 1171 | D | 81.1 | Confident | 72.5 | Confident | 92 Ų | 92 | 76.7 Ų | 76.7 | 49% | 0.492 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 108 | 171.5 | -87.6 | 35.6 | 0 | 0 | 0 | 110.6 | G1169 A1173 R1200 | G1169-D1171 PolarHBondContact O-N 2.73Å; D1171-A1173 PolarHBondContact O-N 3.11Å; D1171-R1200 CarbonylContact C-O 3.34Å; D1171-R1200 WeakPolarHBondContact CA-O 3.22Å; D1171-R1200 IonicContact OD1-CZ 2.7Å; D1171-R1200 IonicContact OD1-NE 3.73Å; D1171-R1200 PolarHBondContact OD1-NE 2.75Å; D1171-R1200 IonicContact OD1-NH2 3.36Å; D1171-R1200 PolarHBondContact OD1-NH2 3.15Å |
| 1172 | I | 86.4 | Confident | 73.9 | Confident | 26 Ų | 26 | 76.4 Ų | 76.4 | 13% | 0.133 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 107.6 | -176.8 | -63.3 | 172.9 | 0 | 0 | 0 | 109.7 | E1170 V1174 L1192 Q1196 R1200 F1201 Y1202 | E1170-I1172 PolarHBondContact O-N 2.75Å; I1172-V1174 PolarHBondContact O-N 2.94Å; I1172-L1192 HydrophobicContact CG2-CD1 4.08Å; I1172-Q1196 HydrophobicContact CD1-CB 4.06Å; I1172-Q1196 WeakPolarHBondContact CD1-O 3.33Å; I1172-R1200 PolarHBondContact N-O 3.4Å; I1172-F1201 HydrophobicContact CB-CD1 4.12Å; I1172-F1201 HydrophobicContact CB-CE1 4.46Å; I1172-F1201 HydrophobicContact CD1-CE1 4.25Å; I1172-F1201 HydrophobicContact CG2-CD1 4.43Å; I1172-Y1202 PolarHBondContact O-N 3.42Å |
| 1173 | A | 89.3 | Confident | 75.6 | Confident | 55 Ų | 55 | 76.2 Ų | 76.2 | 46% | 0.455 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 118.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D1171 Y1202 M1204 | D1171-A1173 PolarHBondContact O-N 3.11Å; A1173-Y1202 WeakPolarHBondContact CA-O 3.32Å; A1173-M1204 HydrophobicContact CB-CE 3.41Å; A1173-M1204 VanDerWaalsContact CB-CE 3.41Å |
| 1174 | V | 91 | Very high | 77.6 | Confident | 1 Ų | 1 | 72.2 Ų | 72.2 | 1% | 0.006 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 107.6 | 177.3 | -164.1 | 0 | 0 | 0 | 0 | 109.7 | I1172 V1176 E1188 L1189 F1201 Y1202 I1203 M1204 | I1172-V1174 PolarHBondContact O-N 2.94Å; V1174-V1176 HydrophobicContact CG1-CG1 4.22Å; V1174-E1188 HydrophobicContact CG1-CB 4.23Å; V1174-E1188 HydrophobicContact CG1-CG 4.46Å; V1174-L1189 HydrophobicContact CG1-CD1 4.32Å; V1174-L1189 HydrophobicContact CG1-CD2 4.06Å; V1174-L1189 HydrophobicContact CG1-CG 4.13Å; V1174-L1189 HydrophobicContact CG2-CD2 3.86Å; V1174-F1201 HydrophobicContact CG2-CB 4.26Å; V1174-F1201 HydrophobicContact CG2-CD2 4.46Å; V1174-F1201 HydrophobicContact CG2-CG 4.26Å; V1174-Y1202 PolarHBondContact N-O 2.78Å; V1174-I1203 HydrophobicContact CB-CD1 3.78Å; V1174-I1203 HydrophobicContact CG1-CD1 4.41Å; V1174-I1203 HydrophobicContact CG2-CD1 3.91Å; V1174-M1204 PolarHBondContact O-N 2.82Å |
| 1175 | R | 91.4 | Very high | 79.6 | Confident | 160 Ų | 160 | 68.8 Ų | 68.8 | 60% | 0.604 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 118.6 | -176.7 | -65.7 | -177.8 | 179.3 | -173.2 | 1.7 | 111.1 | M1204 | R1175-M1204 HydrophobicContact CG-CB 4.26Å; R1175-M1204 HydrophobicContact CG-CE 3.89Å; R1175-M1204 HydrophobicContact CG-SD 4.35Å |
| 1176 | V | 92.9 | Very high | 81.9 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 154.9 | -173.4 | -68 | 0 | 0 | 0 | 0 | 111.9 | V1174 N1184 S1185 I1203 M1204 F1205 E1206 | V1174-V1176 HydrophobicContact CG1-CG1 4.22Å; V1176-N1184 HydrophobicContact CB-CB 4.41Å; V1176-N1184 HydrophobicContact CG1-CB 4.16Å; V1176-S1185 WeakPolarHBondContact CG1-OG 3.41Å; V1176-I1203 HydrophobicContact CG2-CG2 3.76Å; V1176-M1204 WeakPolarHBondContact CG2-O 3.34Å; V1176-M1204 PolarHBondContact N-O 3.3Å; V1176-F1205 HydrophobicContact CG2-CD1 3.67Å; V1176-F1205 HydrophobicContact CG2-CE1 3.74Å; V1176-F1205 HydrophobicContact CG2-CG 4.41Å; V1176-F1205 CarbonylContact O-C 3.56Å; V1176-F1205 WeakPolarHBondContact O-CA 3.48Å; V1176-E1206 PolarHBondContact O-N 3.44Å |
| 1177 | K | 91.8 | Very high | 84 | Confident | 74 Ų | 74 | 60.1 Ų | 60.1 | 32% | 0.322 | 29% | 0.288 | S | S | . | . | trans | -107.6 | 142.7 | 166.1 | -63 | 177.2 | -177.6 | -75.8 | 0 | 108.4 | D1179 R1180 I1181 N1184 E1206 | K1177-D1179 VanDerWaalsContact C-N 3.28Å; K1177-D1179 WeakPolarHBondContact CB-OD1 3.36Å; K1177-D1179 PolarHBondContact O-N 2.98Å; K1177-R1180 CarbonylContact O-C 3.45Å; K1177-R1180 PolarHBondContact O-N 2.9Å; K1177-I1181 VanDerWaalsContact O-CA 3.29Å; K1177-I1181 WeakPolarHBondContact O-CA 3.47Å; K1177-I1181 PolarHBondContact O-N 3.22Å; K1177-N1184 PolarHBondContact N-ND2 3.34Å; K1177-E1206 WeakPolarHBondContact CE-OE2 3.33Å; K1177-E1206 HydrophobicContact CG-CB 4.11Å; K1177-E1206 IonicContact NZ-OE1 3.95Å; K1177-E1206 PolarHBondContact NZ-OE1 2.82Å; K1177-E1206 IonicContact NZ-OE2 2.94Å; K1177-E1206 PolarHBondContact NZ-OE2 3.09Å | ||
| 1178 | R | 87.8 | Confident | 86 | Confident | 87 Ų | 87 | 59.6 Ų | 59.6 | 33% | 0.328 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -60.3 | -36.1 | 179.3 | -66.7 | -169.9 | -173.6 | -81.7 | -8.3 | 112.9 | R1180 F1205 E1208 E1219 | R1178-R1180 VanDerWaalsContact C-N 3.26Å; R1178-R1180 PolarHBondContact O-N 3.17Å; R1178-F1205 HydrophobicContact CG-CD1 3.59Å; R1178-F1205 HydrophobicContact CG-CE1 3.93Å; R1178-F1205 HydrophobicContact CG-CG 4.31Å; R1178-E1208 WeakPolarHBondContact CD-OE1 3.27Å; R1178-E1208 IonicContact CZ-OE1 3.77Å; R1178-E1208 IonicContact CZ-OE2 2.74Å; R1178-E1208 IonicContact NE-OE1 3.78Å; R1178-E1208 PolarHBondContact NE-OE1 3.36Å; R1178-E1208 IonicContact NE-OE2 3.54Å; R1178-E1208 PolarHBondContact NE-OE2 2.78Å; R1178-E1208 IonicContact NH2-OE2 3.26Å; R1178-E1208 PolarHBondContact NH2-OE2 3.44Å; R1178-E1219 IonicContact CZ-OE1 2.68Å; R1178-E1219 IonicContact CZ-OE2 3.89Å; R1178-E1219 VanDerWaalsContact CZ-OE2 3.31Å; R1178-E1219 IonicContact NH1-OE1 3.87Å; R1178-E1219 PolarHBondContact NH1-OE1 3.38Å; R1178-E1219 IonicContact NH1-OE2 3.46Å; R1178-E1219 PolarHBondContact NH1-OE2 3.46Å; R1178-E1219 IonicContact NH2-OE1 2.77Å; R1178-E1219 IonicContact NH2-OE2 3.57Å; R1178-E1219 PolarHBondContact NH2-OE2 3.04Å |
| 1179 | D | 89.2 | Confident | 88 | Confident | 106 Ų | 106 | 56.8 Ų | 56.8 | 57% | 0.567 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -67.1 | -22.7 | 179.9 | 77.5 | -47.9 | 0 | 0 | 0 | 114 | K1177 | K1177-D1179 VanDerWaalsContact C-N 3.28Å; K1177-D1179 WeakPolarHBondContact CB-OD1 3.36Å; K1177-D1179 PolarHBondContact O-N 2.98Å |
| 1180 | R | 90.5 | Very high | 89.6 | Confident | 130 Ų | 130 | 56.6 Ų | 56.6 | 49% | 0.491 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -134.9 | 29.3 | -174.5 | -69.9 | 171.3 | -157.3 | -131.2 | 0.6 | 112.4 | K1177 R1178 F1182 Q1183 N1184 | K1177-R1180 CarbonylContact O-C 3.45Å; K1177-R1180 PolarHBondContact O-N 2.9Å; R1178-R1180 VanDerWaalsContact C-N 3.26Å; R1178-R1180 PolarHBondContact O-N 3.17Å; R1180-F1182 VanDerWaalsContact C-N 3.3Å; R1180-F1182 PolarHBondContact O-N 3.41Å; R1180-Q1183 HydrophobicContact CB-CB 4.49Å; R1180-Q1183 PolarHBondContact O-N 2.76Å; R1180-N1184 PolarHBondContact O-N 3.29Å |
| 1181 | I | 92.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -52 | -45.2 | -170.1 | -170.7 | 178.6 | 0 | 0 | 0 | 112.6 | K1177 S1185 F1205 W1220 V1223 I1224 E1227 | K1177-I1181 VanDerWaalsContact O-CA 3.29Å; K1177-I1181 WeakPolarHBondContact O-CA 3.47Å; K1177-I1181 PolarHBondContact O-N 3.22Å; I1181-S1185 WeakPolarHBondContact O-CB 3.08Å; I1181-S1185 PolarHBondContact O-N 2.97Å; I1181-S1185 PolarHBondContact O-OG 3.11Å; I1181-F1205 HydrophobicContact CD1-CE1 4.1Å; I1181-W1220 HydrophobicContact CD1-CG 4.44Å; I1181-V1223 HydrophobicContact CD1-CB 3.79Å; I1181-V1223 HydrophobicContact CD1-CG1 3.89Å; I1181-V1223 HydrophobicContact CG2-CG1 3.98Å; I1181-I1224 HydrophobicContact CD1-CB 4.48Å; I1181-E1227 HydrophobicContact CG2-CG 3.89Å |
| 1182 | F | 93 | Very high | 90.9 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.3 | -46 | 178.2 | 179.4 | -102.6 | 0 | 0 | 0 | 112.7 | R1180 F1186 I1224 E1227 I1228 Y1233 L1235 Y1261 F1264 I1265 | R1180-F1182 VanDerWaalsContact C-N 3.3Å; R1180-F1182 PolarHBondContact O-N 3.41Å; F1182-F1186 VanDerWaalsContact O-CB 3.3Å; F1182-F1186 WeakPolarHBondContact O-CB 3.3Å; F1182-F1186 PolarHBondContact O-N 3.48Å; F1182-I1224 HydrophobicContact CD2-CG1 4.11Å; F1182-E1227 HydrophobicContact CB-CB 3.82Å; F1182-E1227 HydrophobicContact CB-CG 4.42Å; F1182-E1227 HydrophobicContact CG-CB 4.47Å; F1182-I1228 HydrophobicContact CD2-CG1 4.13Å; F1182-I1228 HydrophobicContact CE2-CG1 3.92Å; F1182-Y1233 HydrophobicContact CB-CE2 4.48Å; F1182-Y1233 HydrophobicContact CD1-CD1 4.04Å; F1182-Y1233 HydrophobicContact CD1-CD2 4.27Å; F1182-Y1233 AromaticContact CD1-CE1 3.65Å; F1182-Y1233 HydrophobicContact CD1-CE1 3.65Å; F1182-Y1233 AromaticContact CD1-CE2 3.92Å; F1182-Y1233 HydrophobicContact CD1-CE2 3.92Å; F1182-Y1233 HydrophobicContact CD1-CG 4.33Å; F1182-Y1233 AromaticContact CD1-CZ 3.6Å; F1182-Y1233 HydrophobicContact CE1-CD1 4.01Å; F1182-Y1233 HydrophobicContact CE1-CD2 4.4Å; F1182-Y1233 HydrophobicContact CE1-CE1 4.1Å; F1182-Y1233 HydrophobicContact CE1-CG 4.18Å; F1182-Y1233 HydrophobicContact CG-CE2 4.33Å; F1182-L1235 HydrophobicContact CE1-CD1 4.48Å; F1182-L1235 HydrophobicContact CZ-CD1 3.97Å; F1182-Y1261 HydrophobicContact CD1-CE1 4.34Å; F1182-Y1261 AromaticContact CE1-CD1 3.48Å; F1182-Y1261 HydrophobicContact CE1-CD1 3.48Å; F1182-Y1261 VanDerWaalsContact CE1-CD1 3.48Å; F1182-Y1261 AromaticContact CE1-CE1 3.5Å; F1182-Y1261 HydrophobicContact CE1-CE1 3.5Å; F1182-Y1261 VanDerWaalsContact CE1-CE1 3.5Å; F1182-Y1261 HydrophobicContact CE1-CG 4.18Å; F1182-Y1261 AromaticContact CZ-CD1 3.48Å; F1182-Y1261 HydrophobicContact CZ-CD1 3.48Å; F1182-Y1261 VanDerWaalsContact CZ-CD1 3.48Å; F1182-Y1261 AromaticContact CZ-CE1 3.99Å; F1182-Y1261 HydrophobicContact CZ-CE1 3.99Å; F1182-Y1261 HydrophobicContact CZ-CG 4.1Å; F1182-F1264 HydrophobicContact CD2-CE1 4.16Å; F1182-F1264 HydrophobicContact CE2-CD1 4.09Å; F1182-F1264 AromaticContact CE2-CE1 3.85Å; F1182-F1264 HydrophobicContact CE2-CE1 3.85Å; F1182-F1264 HydrophobicContact CZ-CD1 4.47Å; F1182-I1265 HydrophobicContact CE2-CD1 4Å; F1182-I1265 HydrophobicContact CE2-CG1 4.03Å; F1182-I1265 HydrophobicContact CZ-CD1 4Å; F1182-I1265 HydrophobicContact CZ-CG1 4.41Å |
| 1183 | Q | 92.5 | Very high | 90.8 | Very high | 74 Ų | 74 | 67 Ų | 67 | 35% | 0.346 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.6 | -38.9 | -179.2 | -62 | -179.9 | 5.4 | 0 | 0 | 112.8 | R1180 R1187 Y1233 | R1180-Q1183 HydrophobicContact CB-CB 4.49Å; R1180-Q1183 PolarHBondContact O-N 2.76Å; Q1183-R1187 PolarHBondContact O-N 3.47Å; Q1183-R1187 VanDerWaalsContact O-N 3.13Å; Q1183-Y1233 HydrophobicContact CG-CE1 4.3Å |
| 1184 | N | 93.6 | Very high | 90.5 | Very high | 14 Ų | 14 | 66.1 Ų | 66.1 | 8% | 0.075 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71.8 | -47.4 | 175.4 | -76.4 | 11.6 | 0 | 0 | 0 | 110.7 | V1176 K1177 R1180 F1186 R1187 E1188 | V1176-N1184 HydrophobicContact CB-CB 4.41Å; V1176-N1184 HydrophobicContact CG1-CB 4.16Å; K1177-N1184 PolarHBondContact N-ND2 3.34Å; R1180-N1184 PolarHBondContact O-N 3.29Å; N1184-F1186 PolarHBondContact O-N 2.88Å; N1184-R1187 WeakPolarHBondContact O-CA 3.31Å; N1184-R1187 WeakPolarHBondContact O-CB 3.32Å; N1184-R1187 PolarHBondContact O-N 3.41Å; N1184-R1187 PolarHBondContact OD1-NH1 3.38Å; N1184-E1188 WeakPolarHBondContact O-CG 3.38Å; N1184-E1188 PolarHBondContact O-N 3.02Å |
| 1185 | S | 94.6 | Very high | 90 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.2 | -38.4 | 177 | -57.2 | 0 | 0 | 0 | 0 | 112.3 | V1176 I1181 L1189 W1220 | V1176-S1185 WeakPolarHBondContact CG1-OG 3.41Å; I1181-S1185 WeakPolarHBondContact O-CB 3.08Å; I1181-S1185 PolarHBondContact O-N 2.97Å; I1181-S1185 PolarHBondContact O-OG 3.11Å; S1185-L1189 VanDerWaalsContact O-CB 3.24Å; S1185-L1189 WeakPolarHBondContact O-CB 3.41Å; S1185-L1189 VanDerWaalsContact O-CG 3.32Å; S1185-L1189 WeakPolarHBondContact O-CG 3.41Å; S1185-L1189 PolarHBondContact O-N 3.49Å; S1185-W1220 PolarHBondContact OG-NE1 3.4Å |
| 1186 | F | 94.2 | Very high | 89.7 | Confident | 27 Ų | 27 | 63.8 Ų | 63.8 | 12% | 0.118 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.4 | -49.3 | 171 | 176.3 | -100.3 | 0 | 0 | 0 | 111.4 | F1182 N1184 E1188 C1190 E1260 Y1261 F1264 | F1182-F1186 VanDerWaalsContact O-CB 3.3Å; F1182-F1186 WeakPolarHBondContact O-CB 3.3Å; F1182-F1186 PolarHBondContact O-N 3.48Å; N1184-F1186 PolarHBondContact O-N 2.88Å; F1186-E1188 PolarHBondContact O-N 3.02Å; F1186-C1190 HydrophobicContact CD2-CB 4.12Å; F1186-C1190 HydrophobicContact CE2-CB 3.95Å; F1186-C1190 HydrophobicContact CZ-CB 4.24Å; F1186-C1190 WeakPolarHBondContact O-CB 3.38Å; F1186-C1190 PolarHBondContact O-N 2.84Å; F1186-C1190 PolarHBondContact O-SG 3.27Å; F1186-E1260 HydrophobicContact CE2-CB 4.06Å; F1186-E1260 HydrophobicContact CZ-CB 3.86Å; F1186-Y1261 HydrophobicContact CB-CE1 4.11Å; F1186-Y1261 HydrophobicContact CD1-CD1 4.47Å; F1186-Y1261 AromaticContact CD1-CE1 3.82Å; F1186-Y1261 HydrophobicContact CD1-CE1 3.82Å; F1186-Y1261 AromaticContact CD2-CD1 3.64Å; F1186-Y1261 HydrophobicContact CD2-CD1 3.64Å; F1186-Y1261 AromaticContact CD2-CE1 3.8Å; F1186-Y1261 HydrophobicContact CD2-CE1 3.8Å; F1186-Y1261 HydrophobicContact CE1-CE1 4.16Å; F1186-Y1261 AromaticContact CE2-CD1 3.88Å; F1186-Y1261 HydrophobicContact CE2-CD1 3.88Å; F1186-Y1261 HydrophobicContact CE2-CE1 4.15Å; F1186-Y1261 AromaticContact CG-CD1 3.97Å; F1186-Y1261 HydrophobicContact CG-CD1 3.97Å; F1186-Y1261 AromaticContact CG-CE1 3.63Å; F1186-Y1261 HydrophobicContact CG-CE1 3.63Å; F1186-Y1261 HydrophobicContact CZ-CD1 4.39Å; F1186-Y1261 HydrophobicContact CZ-CE1 4.32Å; F1186-F1264 HydrophobicContact CB-CD1 4.24Å; F1186-F1264 HydrophobicContact CB-CE1 4.17Å; F1186-F1264 HydrophobicContact CB-CZ 4.47Å; F1186-F1264 HydrophobicContact CD2-CB 3.69Å; F1186-F1264 AromaticContact CD2-CD1 3.83Å; F1186-F1264 HydrophobicContact CD2-CD1 3.83Å; F1186-F1264 HydrophobicContact CD2-CD2 4.32Å; F1186-F1264 AromaticContact CD2-CG 3.68Å; F1186-F1264 HydrophobicContact CD2-CG 3.68Å; F1186-F1264 HydrophobicContact CE2-CB 3.96Å; F1186-F1264 HydrophobicContact CE2-CG 4.44Å |
| 1187 | R | 92.7 | Very high | 89.5 | Confident | 124 Ų | 124 | 63.8 Ų | 63.8 | 47% | 0.468 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.7 | -46.4 | -179.6 | -170.9 | -171.9 | -56.3 | 103.7 | 8 | 113 | Q1183 N1184 | Q1183-R1187 PolarHBondContact O-N 3.47Å; Q1183-R1187 VanDerWaalsContact O-N 3.13Å; N1184-R1187 WeakPolarHBondContact O-CA 3.31Å; N1184-R1187 WeakPolarHBondContact O-CB 3.32Å; N1184-R1187 PolarHBondContact O-N 3.41Å; N1184-R1187 PolarHBondContact OD1-NH1 3.38Å |
| 1188 | E | 90.8 | Very high | 89.2 | Confident | 78 Ų | 78 | 61.5 Ų | 61.5 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.7 | -47.7 | -178.8 | -55 | -50.1 | 105.9 | 0 | 0 | 111.1 | V1174 N1184 F1186 | V1174-E1188 HydrophobicContact CG1-CB 4.23Å; V1174-E1188 HydrophobicContact CG1-CG 4.46Å; N1184-E1188 WeakPolarHBondContact O-CG 3.38Å; N1184-E1188 PolarHBondContact O-N 3.02Å; F1186-E1188 PolarHBondContact O-N 3.02Å |
| 1189 | L | 93.4 | Very high | 88.9 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -92.6 | -20.5 | -166.3 | -57.6 | 175.8 | 0 | 0 | 0 | 114.9 | V1174 S1185 R1191 L1192 W1197 F1201 W1220 F1264 | V1174-L1189 HydrophobicContact CG1-CD1 4.32Å; V1174-L1189 HydrophobicContact CG1-CD2 4.06Å; V1174-L1189 HydrophobicContact CG1-CG 4.13Å; V1174-L1189 HydrophobicContact CG2-CD2 3.86Å; S1185-L1189 VanDerWaalsContact O-CB 3.24Å; S1185-L1189 WeakPolarHBondContact O-CB 3.41Å; S1185-L1189 VanDerWaalsContact O-CG 3.32Å; S1185-L1189 WeakPolarHBondContact O-CG 3.41Å; S1185-L1189 PolarHBondContact O-N 3.49Å; L1189-R1191 PolarHBondContact O-N 3.46Å; L1189-L1192 HydrophobicContact CD2-CD1 3.6Å; L1189-L1192 PolarHBondContact O-N 2.85Å; L1189-W1197 HydrophobicContact CB-CH2 4.07Å; L1189-W1197 HydrophobicContact CB-CZ2 3.58Å; L1189-W1197 HydrophobicContact CD1-CH2 4.2Å; L1189-W1197 WeakPolarHBondContact O-CZ2 3.48Å; L1189-W1197 PolarHBondContact O-NE1 3.02Å; L1189-F1201 HydrophobicContact CD1-CD2 4.49Å; L1189-F1201 HydrophobicContact CD1-CE2 3.92Å; L1189-F1201 HydrophobicContact CD2-CE2 3.96Å; L1189-F1201 HydrophobicContact CD2-CZ 3.95Å; L1189-W1220 HydrophobicContact CD1-CH2 3.74Å; L1189-W1220 HydrophobicContact CD1-CZ2 3.65Å; L1189-F1264 HydrophobicContact CB-CE2 3.97Å; L1189-F1264 HydrophobicContact CD1-CE2 4.14Å |
| 1190 | C | 87.5 | Confident | 88.7 | Confident | 50 Ų | 50 | 59.1 Ų | 59.1 | 34% | 0.338 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -26.3 | -176.7 | 72.9 | 0 | 0 | 0 | 0 | 113.2 | F1186 | F1186-C1190 HydrophobicContact CD2-CB 4.12Å; F1186-C1190 HydrophobicContact CE2-CB 3.95Å; F1186-C1190 HydrophobicContact CZ-CB 4.24Å; F1186-C1190 WeakPolarHBondContact O-CB 3.38Å; F1186-C1190 PolarHBondContact O-N 2.84Å; F1186-C1190 PolarHBondContact O-SG 3.27Å |
| 1191 | R | 84.4 | Confident | 88.7 | Confident | 213 Ų | 213 | 53.4 Ų | 53.4 | 80% | 0.804 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82 | -19.3 | -179.6 | -63.6 | 179.5 | 175.4 | -171 | -4.5 | 113.8 | L1189 | L1189-R1191 PolarHBondContact O-N 3.46Š|
| 1192 | L | 88.8 | Confident | 88.5 | Confident | 32 Ų | 32 | 57.6 Ų | 57.6 | 17% | 0.168 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -67.7 | 144.8 | -178.3 | -62.3 | 178.5 | 0 | 0 | 0 | 111.8 | I1172 L1189 Q1196 R1267 | I1172-L1192 HydrophobicContact CG2-CD1 4.08Å; L1189-L1192 HydrophobicContact CD2-CD1 3.6Å; L1189-L1192 PolarHBondContact O-N 2.85Å; L1192-Q1196 HydrophobicContact CB-CB 4.13Å; L1192-Q1196 HydrophobicContact CD2-CB 4.36Å; L1192-R1267 PolarHBondContact O-NH1 3.32Å |
| 1193 | R | 84.9 | Confident | 88.4 | Confident | 180 Ų | 180 | 57.6 Ų | 57.6 | 68% | 0.679 | 25% | 0.247 | S | C | * | . | trans | -72.9 | 161.6 | 176.1 | -59.8 | -177.8 | -178.3 | 164.8 | 2.5 | 111.7 | E1195 Q1196 W1197 | R1193-E1195 WeakPolarHBondContact CB-OE2 3.39Å; R1193-E1195 PolarHBondContact O-N 3.29Å; R1193-E1195 VanDerWaalsContact O-N 3.1Å; R1193-Q1196 HydrophobicContact CB-CG 4.46Å; R1193-Q1196 PolarHBondContact O-N 2.84Å; R1193-Q1196 VanDerWaalsContact O-N 3.16Å; R1193-W1197 PolarHBondContact O-N 3.22Å; R1193-W1197 VanDerWaalsContact O-N 3.08Å | ||
| 1194 | S | 83.5 | Confident | 88.2 | Confident | 35 Ų | 35 | 56.7 Ų | 56.7 | 25% | 0.245 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -24.6 | 178.2 | 30.8 | 0 | 0 | 0 | 0 | 113.7 | K1198 | S1194-K1198 WeakPolarHBondContact O-CE 3.24Š|
| 1195 | E | 80.6 | Confident | 88.1 | Confident | 57 Ų | 57 | 56.5 Ų | 56.5 | 27% | 0.266 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -45.1 | 178.9 | -59.1 | 63.2 | -123.7 | 0 | 0 | 110.4 | M1164 R1193 W1197 K1198 | M1164-E1195 HydrophobicContact CE-CG 3.8Å; R1193-E1195 WeakPolarHBondContact CB-OE2 3.39Å; R1193-E1195 PolarHBondContact O-N 3.29Å; R1193-E1195 VanDerWaalsContact O-N 3.1Å; E1195-W1197 VanDerWaalsContact C-N 3.29Å; E1195-W1197 PolarHBondContact O-N 3.49Å; E1195-K1198 WeakPolarHBondContact O-CB 3.37Å; E1195-K1198 WeakPolarHBondContact O-CG 3.4Å; E1195-K1198 PolarHBondContact O-N 2.79Å |
| 1196 | Q | 85.1 | Confident | 87.8 | Confident | 56 Ų | 56 | 62.1 Ų | 62.1 | 26% | 0.262 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -63.1 | -34.4 | 177.1 | -66.7 | 175.3 | -60.1 | 0 | 0 | 112 | I1172 L1192 R1193 K1198 G1199 | I1172-Q1196 HydrophobicContact CD1-CB 4.06Å; I1172-Q1196 WeakPolarHBondContact CD1-O 3.33Å; L1192-Q1196 HydrophobicContact CB-CB 4.13Å; L1192-Q1196 HydrophobicContact CD2-CB 4.36Å; R1193-Q1196 HydrophobicContact CB-CG 4.46Å; R1193-Q1196 PolarHBondContact O-N 2.84Å; R1193-Q1196 VanDerWaalsContact O-N 3.16Å; Q1196-K1198 PolarHBondContact O-N 3.21Å; Q1196-G1199 PolarHBondContact O-N 2.86Å |
| 1197 | W | 88.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -59.3 | -9.4 | 171.6 | -89 | 81.8 | 0 | 0 | 0 | 114.2 | L1189 R1193 E1195 F1201 F1264 R1267 K1271 I1388 | L1189-W1197 HydrophobicContact CB-CH2 4.07Å; L1189-W1197 HydrophobicContact CB-CZ2 3.58Å; L1189-W1197 HydrophobicContact CD1-CH2 4.2Å; L1189-W1197 WeakPolarHBondContact O-CZ2 3.48Å; L1189-W1197 PolarHBondContact O-NE1 3.02Å; R1193-W1197 PolarHBondContact O-N 3.22Å; R1193-W1197 VanDerWaalsContact O-N 3.08Å; E1195-W1197 VanDerWaalsContact C-N 3.29Å; E1195-W1197 PolarHBondContact O-N 3.49Å; W1197-F1201 HydrophobicContact CD2-CZ 4.15Å; W1197-F1201 HydrophobicContact CE3-CE2 4.11Å; W1197-F1201 AromaticContact CE3-CZ 3.85Å; W1197-F1201 HydrophobicContact CE3-CZ 3.85Å; W1197-F1201 HydrophobicContact CZ3-CE2 4.16Å; W1197-F1201 HydrophobicContact CZ3-CZ 4.33Å; W1197-F1264 AromaticContact CH2-CD2 3.83Å; W1197-F1264 HydrophobicContact CH2-CD2 3.83Å; W1197-F1264 AromaticContact CH2-CE2 3.73Å; W1197-F1264 HydrophobicContact CH2-CE2 3.73Å; W1197-F1264 AromaticContact CZ2-CD2 3.9Å; W1197-F1264 HydrophobicContact CZ2-CD2 3.9Å; W1197-F1264 HydrophobicContact CZ2-CE2 4.06Å; W1197-R1267 HydrophobicContact CD2-CB 4.1Å; W1197-R1267 HydrophobicContact CE3-CB 3.92Å; W1197-R1267 HydrophobicContact CH2-CB 3.62Å; W1197-R1267 HydrophobicContact CZ2-CB 3.82Å; W1197-R1267 HydrophobicContact CZ2-CG 4.47Å; W1197-R1267 HydrophobicContact CZ3-CB 3.7Å; W1197-K1271 HydrophobicContact CE3-CB 3.88Å; W1197-K1271 HydrophobicContact CE3-CG 4.08Å; W1197-K1271 HydrophobicContact CZ3-CB 3.94Å; W1197-K1271 HydrophobicContact CZ3-CG 4.27Å; W1197-K1271 VanDerWaalsContact O-CD 3.23Å; W1197-K1271 WeakPolarHBondContact O-CD 3.48Å; W1197-K1271 WeakPolarHBondContact O-CE 3.49Å; W1197-K1271 PolarHBondContact O-NZ 3.43Å; W1197-I1388 HydrophobicContact CB-CD1 3.75Å; W1197-I1388 HydrophobicContact CB-CG1 4.14Å; W1197-I1388 HydrophobicContact CD2-CD1 3.94Å; W1197-I1388 HydrophobicContact CE3-CD1 3.59Å; W1197-I1388 HydrophobicContact CG-CD1 4.07Å; W1197-I1388 HydrophobicContact CZ3-CD1 4.43Å |
| 1198 | K | 84 | Confident | 86.9 | Confident | 26 Ų | 26 | 63.4 Ų | 63.4 | 11% | 0.113 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -93.5 | -17.3 | 175.8 | -52.6 | -178.9 | -173.4 | 168.1 | 0 | 113.4 | T1161 S1194 E1195 Q1196 F1274 | T1161-K1198 HydrophobicContact CG2-CB 4.47Å; T1161-K1198 HydrophobicContact CG2-CD 3.98Å; S1194-K1198 WeakPolarHBondContact O-CE 3.24Å; E1195-K1198 WeakPolarHBondContact O-CB 3.37Å; E1195-K1198 WeakPolarHBondContact O-CG 3.4Å; E1195-K1198 PolarHBondContact O-N 2.79Å; Q1196-K1198 PolarHBondContact O-N 3.21Å; K1198-F1274 HydrophobicContact CB-CE2 3.5Å; K1198-F1274 VanDerWaalsContact CB-CE2 3.5Å; K1198-F1274 HydrophobicContact CB-CZ 3.58Å; K1198-F1274 HydrophobicContact CD-CE2 4.2Å; K1198-F1274 HydrophobicContact CG-CD2 4.45Å; K1198-F1274 HydrophobicContact CG-CE2 3.61Å; K1198-F1274 HydrophobicContact CG-CZ 4.23Å; K1198-F1274 WeakPolarHBondContact O-CE1 3.37Å; K1198-F1274 WeakPolarHBondContact O-CZ 3.42Å |
| 1199 | G | 81 | Confident | 86.1 | Confident | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -64.8 | 168.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | Q1196 K1271 | Q1196-G1199 PolarHBondContact O-N 2.86Å; G1199-K1271 PolarHBondContact O-NZ 3.12Å |
| 1200 | R | 86 | Confident | 84.8 | Confident | 142 Ų | 142 | 71 Ų | 71 | 54% | 0.536 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 129.4 | -177.2 | -60.6 | -175.2 | -61.8 | -139 | -2.1 | 109.4 | G1169 E1170 D1171 I1172 | G1169-R1200 PolarHBondContact O-NH2 3.37Å; E1170-R1200 PolarHBondContact O-N 2.75Å; D1171-R1200 CarbonylContact C-O 3.34Å; D1171-R1200 WeakPolarHBondContact CA-O 3.22Å; D1171-R1200 IonicContact OD1-CZ 2.7Å; D1171-R1200 IonicContact OD1-NE 3.73Å; D1171-R1200 PolarHBondContact OD1-NE 2.75Å; D1171-R1200 IonicContact OD1-NH2 3.36Å; D1171-R1200 PolarHBondContact OD1-NH2 3.15Å; I1172-R1200 PolarHBondContact N-O 3.4Å |
| 1201 | F | 90.1 | Very high | 83.6 | Confident | 9 Ų | 9 | 78.5 Ų | 78.5 | 4% | 0.039 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 116.1 | -177.9 | -74.2 | 3.9 | 0 | 0 | 0 | 111.2 | I1172 V1174 L1189 W1197 I1203 L1217 W1220 K1271 | I1172-F1201 HydrophobicContact CB-CD1 4.12Å; I1172-F1201 HydrophobicContact CB-CE1 4.46Å; I1172-F1201 HydrophobicContact CD1-CE1 4.25Å; I1172-F1201 HydrophobicContact CG2-CD1 4.43Å; V1174-F1201 HydrophobicContact CG2-CB 4.26Å; V1174-F1201 HydrophobicContact CG2-CD2 4.46Å; V1174-F1201 HydrophobicContact CG2-CG 4.26Å; L1189-F1201 HydrophobicContact CD1-CD2 4.49Å; L1189-F1201 HydrophobicContact CD1-CE2 3.92Å; L1189-F1201 HydrophobicContact CD2-CE2 3.96Å; L1189-F1201 HydrophobicContact CD2-CZ 3.95Å; W1197-F1201 HydrophobicContact CD2-CZ 4.15Å; W1197-F1201 HydrophobicContact CE3-CE2 4.11Å; W1197-F1201 AromaticContact CE3-CZ 3.85Å; W1197-F1201 HydrophobicContact CE3-CZ 3.85Å; W1197-F1201 HydrophobicContact CZ3-CE2 4.16Å; W1197-F1201 HydrophobicContact CZ3-CZ 4.33Å; F1201-I1203 HydrophobicContact CB-CD1 4.32Å; F1201-L1217 HydrophobicContact CB-CD1 4Å; F1201-W1220 HydrophobicContact CD2-CH2 4.25Å; F1201-W1220 HydrophobicContact CD2-CZ3 4.38Å; F1201-W1220 HydrophobicContact CE2-CH2 4.48Å; F1201-K1271 HydrophobicContact CD2-CG 4.31Å; F1201-K1271 HydrophobicContact CE2-CD 4.43Å; F1201-K1271 HydrophobicContact CE2-CG 3.84Å; F1201-K1271 HydrophobicContact CZ-CG 4.28Å |
| 1202 | Y | 88.1 | Confident | 83.1 | Confident | 90 Ų | 90 | 72.2 Ų | 72.2 | 35% | 0.353 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 110.5 | 174.5 | -177.6 | -88.3 | 0 | 0 | 0 | 110 | I1172 A1173 V1174 M1204 A1213 | I1172-Y1202 PolarHBondContact O-N 3.42Å; A1173-Y1202 WeakPolarHBondContact CA-O 3.32Å; V1174-Y1202 PolarHBondContact N-O 2.78Å; Y1202-M1204 HydrophobicContact CD1-CE 4.1Å; Y1202-M1204 HydrophobicContact CD1-CG 3.99Å; Y1202-M1204 HydrophobicContact CE1-CE 4.29Å; Y1202-M1204 HydrophobicContact CE1-CG 3.58Å; Y1202-M1204 HydrophobicContact CE1-SD 4.23Å; Y1202-A1213 HydrophobicContact CD2-CB 3.8Å; Y1202-A1213 HydrophobicContact CE2-CB 3.61Å |
| 1203 | I | 91.2 | Very high | 82.2 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 127.3 | -174.6 | -47.7 | -56.5 | 0 | 0 | 0 | 111 | V1174 V1176 F1201 F1205 L1216 L1217 W1220 | V1174-I1203 HydrophobicContact CB-CD1 3.78Å; V1174-I1203 HydrophobicContact CG1-CD1 4.41Å; V1174-I1203 HydrophobicContact CG2-CD1 3.91Å; V1176-I1203 HydrophobicContact CG2-CG2 3.76Å; F1201-I1203 HydrophobicContact CB-CD1 4.32Å; I1203-F1205 HydrophobicContact CG2-CE2 4.17Å; I1203-F1205 HydrophobicContact CG2-CZ 4.22Å; I1203-L1216 HydrophobicContact CB-CB 4.25Å; I1203-L1216 VanDerWaalsContact O-CD1 3.28Å; I1203-L1216 WeakPolarHBondContact O-CD1 3.28Å; I1203-L1217 HydrophobicContact CD1-CD1 3.98Å; I1203-L1217 HydrophobicContact CG1-CB 4.31Å; I1203-L1217 HydrophobicContact CG1-CD1 3.85Å; I1203-W1220 HydrophobicContact CB-CB 4.41Å; I1203-W1220 HydrophobicContact CD1-CB 4.37Å; I1203-W1220 HydrophobicContact CD1-CD2 3.74Å; I1203-W1220 HydrophobicContact CD1-CE3 4.05Å; I1203-W1220 HydrophobicContact CD1-CG 3.89Å; I1203-W1220 HydrophobicContact CG1-CB 3.82Å; I1203-W1220 HydrophobicContact CG1-CD2 4.18Å; I1203-W1220 HydrophobicContact CG1-CG 3.89Å; I1203-W1220 HydrophobicContact CG2-CB 4.02Å; I1203-W1220 HydrophobicContact CG2-CG 4.01Å |
| 1204 | M | 89.7 | Confident | 81.7 | Confident | 55 Ų | 55 | 65.3 Ų | 65.3 | 27% | 0.271 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 120 | 170.1 | -76 | 175.6 | -90.5 | 0 | 0 | 110.7 | A1173 V1174 R1175 V1176 Y1202 | A1173-M1204 HydrophobicContact CB-CE 3.41Å; A1173-M1204 VanDerWaalsContact CB-CE 3.41Å; V1174-M1204 PolarHBondContact O-N 2.82Å; R1175-M1204 HydrophobicContact CG-CB 4.26Å; R1175-M1204 HydrophobicContact CG-CE 3.89Å; R1175-M1204 HydrophobicContact CG-SD 4.35Å; V1176-M1204 WeakPolarHBondContact CG2-O 3.34Å; V1176-M1204 PolarHBondContact N-O 3.3Å; Y1202-M1204 HydrophobicContact CD1-CE 4.1Å; Y1202-M1204 HydrophobicContact CD1-CG 3.99Å; Y1202-M1204 HydrophobicContact CE1-CE 4.29Å; Y1202-M1204 HydrophobicContact CE1-CG 3.58Å; Y1202-M1204 HydrophobicContact CE1-SD 4.23Å |
| 1205 | F | 90.4 | Very high | 81.6 | Confident | 9 Ų | 9 | 64.5 Ų | 64.5 | 4% | 0.039 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 116.2 | 167.3 | -67.5 | -75 | 0 | 0 | 0 | 109.6 | V1176 R1178 I1181 I1203 G1207 E1208 L1216 E1219 W1220 | V1176-F1205 HydrophobicContact CG2-CD1 3.67Å; V1176-F1205 HydrophobicContact CG2-CE1 3.74Å; V1176-F1205 HydrophobicContact CG2-CG 4.41Å; V1176-F1205 CarbonylContact O-C 3.56Å; V1176-F1205 WeakPolarHBondContact O-CA 3.48Å; R1178-F1205 HydrophobicContact CG-CD1 3.59Å; R1178-F1205 HydrophobicContact CG-CE1 3.93Å; R1178-F1205 HydrophobicContact CG-CG 4.31Å; I1181-F1205 HydrophobicContact CD1-CE1 4.1Å; I1203-F1205 HydrophobicContact CG2-CE2 4.17Å; I1203-F1205 HydrophobicContact CG2-CZ 4.22Å; F1205-G1207 PolarHBondContact O-N 3.36Å; F1205-G1207 VanDerWaalsContact O-N 3.12Å; F1205-E1208 HydrophobicContact CB-CB 4.1Å; F1205-E1208 HydrophobicContact CB-CG 4.37Å; F1205-E1208 PolarHBondContact O-N 2.73Å; F1205-E1208 VanDerWaalsContact O-N 3.09Å; F1205-L1216 HydrophobicContact CD2-CD2 4.08Å; F1205-L1216 HydrophobicContact CE2-CB 4.43Å; F1205-L1216 HydrophobicContact CE2-CD2 4.18Å; F1205-E1219 WeakPolarHBondContact CE2-OE2 3.26Å; F1205-W1220 HydrophobicContact CZ-CB 4.35Å |
| 1206 | E | 87.9 | Confident | 82 | Confident | 118 Ų | 118 | 63 Ų | 63 | 55% | 0.551 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | 110.3 | -172.3 | -169.1 | -160.5 | 134.8 | 0 | 0 | 111.5 | V1176 K1177 | V1176-E1206 PolarHBondContact O-N 3.44Å; K1177-E1206 WeakPolarHBondContact CE-OE2 3.33Å; K1177-E1206 HydrophobicContact CG-CB 4.11Å; K1177-E1206 IonicContact NZ-OE1 3.95Å; K1177-E1206 PolarHBondContact NZ-OE1 2.82Å; K1177-E1206 IonicContact NZ-OE2 2.94Å; K1177-E1206 PolarHBondContact NZ-OE2 3.09Å |
| 1207 | G | 83.5 | Confident | 82.2 | Confident | 85 Ų | 85 | 61.2 Ų | 61.2 | 88% | 0.876 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.2 | 5.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | F1205 | F1205-G1207 PolarHBondContact O-N 3.36Å; F1205-G1207 VanDerWaalsContact O-N 3.12Å |
| 1208 | E | 85.8 | Confident | 82.1 | Confident | 93 Ų | 93 | 67.8 Ų | 67.8 | 44% | 0.435 | 36% | 0.356 | S | S | . | . | trans | -126.1 | 135.2 | -179.4 | -62.9 | 175.1 | -145.1 | 0 | 0 | 111.4 | R1178 F1205 | R1178-E1208 WeakPolarHBondContact CD-OE1 3.27Å; R1178-E1208 IonicContact CZ-OE1 3.77Å; R1178-E1208 IonicContact CZ-OE2 2.74Å; R1178-E1208 IonicContact NE-OE1 3.78Å; R1178-E1208 PolarHBondContact NE-OE1 3.36Å; R1178-E1208 IonicContact NE-OE2 3.54Å; R1178-E1208 PolarHBondContact NE-OE2 2.78Å; R1178-E1208 IonicContact NH2-OE2 3.26Å; R1178-E1208 PolarHBondContact NH2-OE2 3.44Å; F1205-E1208 HydrophobicContact CB-CB 4.1Å; F1205-E1208 HydrophobicContact CB-CG 4.37Å; F1205-E1208 PolarHBondContact O-N 2.73Å; F1205-E1208 VanDerWaalsContact O-N 3.09Å | ||
| 1209 | E | 73.7 | Confident | 82.3 | Confident | 204 Ų | 204 | 70 Ų | 70 | 95% | 0.953 | 37% | 0.367 | S | S | * | . | trans | -86.6 | 122.5 | 172.8 | -66.9 | 178.7 | 176.6 | 0 | 0 | 109.6 | ||||
| 1210 | G | 66 | Low | 82.9 | Confident | 35 Ų | 35 | 70 Ų | 70 | 36% | 0.361 | 37% | 0.367 | S | S | . | . | trans | -125 | 128.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1211 | Q | 62 | Low | 83.3 | Confident | 208 Ų | 208 | 63.3 Ų | 63.3 | 97% | 0.972 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -93.8 | -33.7 | -174 | -66.4 | 179.5 | -18.6 | 0 | 0 | 114.3 | ||
| 1212 | D | 74.9 | Confident | 83.2 | Confident | 82 Ų | 82 | 66 Ų | 66 | 44% | 0.439 | 36% | 0.361 | S | S | . | . | trans | -102 | 100.4 | 179.3 | 172.7 | 11.8 | 0 | 0 | 0 | 110.9 | G1214 G1215 L1216 R1218 | D1212-G1214 VanDerWaalsContact C-N 3.27Å; D1212-G1214 PolarHBondContact O-N 3.25Å; D1212-G1214 WeakPolarHBondContact OD1-CA 3.34Å; D1212-G1214 PolarHBondContact OD1-N 2.91Å; D1212-G1215 WeakPolarHBondContact O-CA 3.22Å; D1212-G1215 PolarHBondContact O-N 3.11Å; D1212-G1215 PolarHBondContact OD1-N 3.33Å; D1212-G1215 WeakPolarHBondContact OD2-CA 3.4Å; D1212-G1215 PolarHBondContact OD2-N 2.83Å; D1212-L1216 WeakPolarHBondContact O-CG 3.06Å; D1212-L1216 PolarHBondContact O-N 3.09Å; D1212-R1218 IonicContact OD2-CZ 2.85Å; D1212-R1218 IonicContact OD2-NH1 2.64Å; D1212-R1218 IonicContact OD2-NH2 2.85Å; D1212-R1218 PolarHBondContact OD2-NH2 3.29Å | ||
| 1213 | A | 69.9 | Low | 83.3 | Confident | 42 Ų | 42 | 63.6 Ų | 63.6 | 35% | 0.347 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -53.4 | -42.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y1202 G1215 L1217 | Y1202-A1213 HydrophobicContact CD2-CB 3.8Å; Y1202-A1213 HydrophobicContact CE2-CB 3.61Å; A1213-G1215 VanDerWaalsContact C-N 3.27Å; A1213-G1215 PolarHBondContact O-N 2.91Å; A1213-L1217 PolarHBondContact O-N 2.99Å |
| 1214 | G | 73.3 | Confident | 83.4 | Confident | 25 Ų | 25 | 63.6 Ų | 63.6 | 26% | 0.258 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -69.4 | -26.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D1212 R1218 | D1212-G1214 VanDerWaalsContact C-N 3.27Å; D1212-G1214 PolarHBondContact O-N 3.25Å; D1212-G1214 WeakPolarHBondContact OD1-CA 3.34Å; D1212-G1214 PolarHBondContact OD1-N 2.91Å; G1214-R1218 VanDerWaalsContact O-CG 3.3Å; G1214-R1218 WeakPolarHBondContact O-CG 3.39Å; G1214-R1218 PolarHBondContact O-N 2.8Å; G1214-R1218 PolarHBondContact O-NH1 3.44Å |
| 1215 | G | 80.7 | Confident | 83.5 | Confident | 17 Ų | 17 | 61.1 Ų | 61.1 | 18% | 0.175 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -73.1 | -49.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D1212 A1213 L1217 R1218 E1219 | D1212-G1215 WeakPolarHBondContact O-CA 3.22Å; D1212-G1215 PolarHBondContact O-N 3.11Å; D1212-G1215 PolarHBondContact OD1-N 3.33Å; D1212-G1215 WeakPolarHBondContact OD2-CA 3.4Å; D1212-G1215 PolarHBondContact OD2-N 2.83Å; A1213-G1215 VanDerWaalsContact C-N 3.27Å; A1213-G1215 PolarHBondContact O-N 2.91Å; G1215-L1217 VanDerWaalsContact C-N 3.26Å; G1215-L1217 PolarHBondContact O-N 3.49Å; G1215-R1218 VanDerWaalsContact CA-CZ 3.43Å; G1215-R1218 VanDerWaalsContact CA-NH2 3.31Å; G1215-R1218 WeakPolarHBondContact O-CB 3.05Å; G1215-R1218 PolarHBondContact O-N 3.04Å; G1215-R1218 VanDerWaalsContact O-N 3.1Å; G1215-E1219 PolarHBondContact O-N 2.95Å |
| 1216 | L | 89.1 | Confident | 83.5 | Confident | 27 Ų | 27 | 69.2 Ų | 69.2 | 14% | 0.141 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.8 | -39 | 176.2 | -58.4 | 177.4 | 0 | 0 | 0 | 111.5 | I1203 F1205 D1212 E1219 W1220 | I1203-L1216 HydrophobicContact CB-CB 4.25Å; I1203-L1216 VanDerWaalsContact O-CD1 3.28Å; I1203-L1216 WeakPolarHBondContact O-CD1 3.28Å; F1205-L1216 HydrophobicContact CD2-CD2 4.08Å; F1205-L1216 HydrophobicContact CE2-CB 4.43Å; F1205-L1216 HydrophobicContact CE2-CD2 4.18Å; D1212-L1216 WeakPolarHBondContact O-CG 3.06Å; D1212-L1216 PolarHBondContact O-N 3.09Å; L1216-E1219 PolarHBondContact O-N 2.84Å; L1216-W1220 VanDerWaalsContact O-CB 3.26Å; L1216-W1220 WeakPolarHBondContact O-CB 3.3Å; L1216-W1220 PolarHBondContact O-N 3.43Å |
| 1217 | L | 90.7 | Very high | 83.7 | Confident | 17 Ų | 17 | 65.6 Ų | 65.6 | 9% | 0.089 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 174.7 | -175.6 | 62.5 | 0 | 0 | 0 | 112.7 | F1201 I1203 A1213 G1215 W1220 F1221 | F1201-L1217 HydrophobicContact CB-CD1 4Å; I1203-L1217 HydrophobicContact CD1-CD1 3.98Å; I1203-L1217 HydrophobicContact CG1-CB 4.31Å; I1203-L1217 HydrophobicContact CG1-CD1 3.85Å; A1213-L1217 PolarHBondContact O-N 2.99Å; G1215-L1217 VanDerWaalsContact C-N 3.26Å; G1215-L1217 PolarHBondContact O-N 3.49Å; L1217-W1220 HydrophobicContact CD1-CE3 4.02Å; L1217-W1220 HydrophobicContact CD1-CZ3 4.39Å; L1217-F1221 HydrophobicContact CD1-CD2 3.94Å; L1217-F1221 HydrophobicContact CD1-CE2 3.63Å; L1217-F1221 HydrophobicContact CD2-CE2 4.43Å; L1217-F1221 HydrophobicContact CG-CD2 4.02Å; L1217-F1221 HydrophobicContact CG-CE2 3.89Å; L1217-F1221 VanDerWaalsContact O-CD2 3.25Å; L1217-F1221 WeakPolarHBondContact O-CD2 3.42Å; L1217-F1221 PolarHBondContact O-N 3.13Å; L1217-F1221 VanDerWaalsContact O-N 3.12Å |
| 1218 | R | 86.6 | Confident | 84.2 | Confident | 138 Ų | 138 | 61.7 Ų | 61.7 | 52% | 0.521 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 174.5 | -71.1 | 179.9 | -52.9 | -96.6 | 12.3 | 111.3 | D1212 G1214 G1215 S1222 | D1212-R1218 IonicContact OD2-CZ 2.85Å; D1212-R1218 IonicContact OD2-NH1 2.64Å; D1212-R1218 IonicContact OD2-NH2 2.85Å; D1212-R1218 PolarHBondContact OD2-NH2 3.29Å; G1214-R1218 VanDerWaalsContact O-CG 3.3Å; G1214-R1218 WeakPolarHBondContact O-CG 3.39Å; G1214-R1218 PolarHBondContact O-N 2.8Å; G1214-R1218 PolarHBondContact O-NH1 3.44Å; G1215-R1218 VanDerWaalsContact CA-CZ 3.43Å; G1215-R1218 VanDerWaalsContact CA-NH2 3.31Å; G1215-R1218 WeakPolarHBondContact O-CB 3.05Å; G1215-R1218 PolarHBondContact O-N 3.04Å; G1215-R1218 VanDerWaalsContact O-N 3.1Å; R1218-S1222 PolarHBondContact O-N 3.31Å |
| 1219 | E | 88.5 | Confident | 84.5 | Confident | 73 Ų | 73 | 58.1 Ų | 58.1 | 34% | 0.341 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.2 | -47.2 | 178.3 | -168.3 | -174.2 | -158.6 | 0 | 0 | 111.4 | R1178 F1205 G1215 L1216 F1221 S1222 V1223 | R1178-E1219 IonicContact CZ-OE1 2.68Å; R1178-E1219 IonicContact CZ-OE2 3.89Å; R1178-E1219 VanDerWaalsContact CZ-OE2 3.31Å; R1178-E1219 IonicContact NH1-OE1 3.87Å; R1178-E1219 PolarHBondContact NH1-OE1 3.38Å; R1178-E1219 IonicContact NH1-OE2 3.46Å; R1178-E1219 PolarHBondContact NH1-OE2 3.46Å; R1178-E1219 IonicContact NH2-OE1 2.77Å; R1178-E1219 IonicContact NH2-OE2 3.57Å; R1178-E1219 PolarHBondContact NH2-OE2 3.04Å; F1205-E1219 WeakPolarHBondContact CE2-OE2 3.26Å; G1215-E1219 PolarHBondContact O-N 2.95Å; L1216-E1219 PolarHBondContact O-N 2.84Å; E1219-F1221 PolarHBondContact O-N 3Å; E1219-S1222 WeakPolarHBondContact O-CB 3.31Å; E1219-S1222 PolarHBondContact O-N 3.15Å; E1219-V1223 HydrophobicContact CG-CG2 4.21Å; E1219-V1223 WeakPolarHBondContact O-CG2 3.3Å; E1219-V1223 PolarHBondContact O-N 2.93Å |
| 1220 | W | 93.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.4 | -49.4 | 177.8 | 177 | 82.8 | 0 | 0 | 0 | 112.1 | I1181 S1185 L1189 F1201 I1203 F1205 L1216 L1217 S1222 V1223 I1224 L1268 | I1181-W1220 HydrophobicContact CD1-CG 4.44Å; S1185-W1220 PolarHBondContact OG-NE1 3.4Å; L1189-W1220 HydrophobicContact CD1-CH2 3.74Å; L1189-W1220 HydrophobicContact CD1-CZ2 3.65Å; F1201-W1220 HydrophobicContact CD2-CH2 4.25Å; F1201-W1220 HydrophobicContact CD2-CZ3 4.38Å; F1201-W1220 HydrophobicContact CE2-CH2 4.48Å; I1203-W1220 HydrophobicContact CB-CB 4.41Å; I1203-W1220 HydrophobicContact CD1-CB 4.37Å; I1203-W1220 HydrophobicContact CD1-CD2 3.74Å; I1203-W1220 HydrophobicContact CD1-CE3 4.05Å; I1203-W1220 HydrophobicContact CD1-CG 3.89Å; I1203-W1220 HydrophobicContact CG1-CB 3.82Å; I1203-W1220 HydrophobicContact CG1-CD2 4.18Å; I1203-W1220 HydrophobicContact CG1-CG 3.89Å; I1203-W1220 HydrophobicContact CG2-CB 4.02Å; I1203-W1220 HydrophobicContact CG2-CG 4.01Å; F1205-W1220 HydrophobicContact CZ-CB 4.35Å; L1216-W1220 VanDerWaalsContact O-CB 3.26Å; L1216-W1220 WeakPolarHBondContact O-CB 3.3Å; L1216-W1220 PolarHBondContact O-N 3.43Å; L1217-W1220 HydrophobicContact CD1-CE3 4.02Å; L1217-W1220 HydrophobicContact CD1-CZ3 4.39Å; W1220-S1222 VanDerWaalsContact C-N 3.29Å; W1220-S1222 PolarHBondContact O-N 3.47Å; W1220-V1223 PolarHBondContact O-N 2.84Å; W1220-I1224 HydrophobicContact CZ2-CD1 3.92Å; W1220-I1224 WeakPolarHBondContact O-CB 3.42Å; W1220-I1224 WeakPolarHBondContact O-CG2 3.46Å; W1220-I1224 PolarHBondContact O-N 3Å; W1220-L1268 HydrophobicContact CH2-CD1 3.36Å; W1220-L1268 HydrophobicContact CZ2-CD1 4.17Å; W1220-L1268 HydrophobicContact CZ3-CD1 3.76Å |
| 1221 | F | 93.3 | Very high | 86.5 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 1% | 0.013 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.7 | -38.3 | 175.1 | -86.3 | -60.8 | 0 | 0 | 0 | 112.7 | L1217 E1219 T1225 L1268 K1271 A1272 K1277 L1279 | L1217-F1221 HydrophobicContact CD1-CD2 3.94Å; L1217-F1221 HydrophobicContact CD1-CE2 3.63Å; L1217-F1221 HydrophobicContact CD2-CE2 4.43Å; L1217-F1221 HydrophobicContact CG-CD2 4.02Å; L1217-F1221 HydrophobicContact CG-CE2 3.89Å; L1217-F1221 VanDerWaalsContact O-CD2 3.25Å; L1217-F1221 WeakPolarHBondContact O-CD2 3.42Å; L1217-F1221 PolarHBondContact O-N 3.13Å; L1217-F1221 VanDerWaalsContact O-N 3.12Å; E1219-F1221 PolarHBondContact O-N 3Å; F1221-T1225 VanDerWaalsContact O-CB 3.28Å; F1221-T1225 WeakPolarHBondContact O-CB 3.29Å; F1221-T1225 PolarHBondContact O-N 3.3Å; F1221-T1225 PolarHBondContact O-OG1 3.15Å; F1221-L1268 HydrophobicContact CD1-CD1 4.37Å; F1221-L1268 HydrophobicContact CE1-CD1 3.97Å; F1221-K1271 HydrophobicContact CZ-CG 4.33Å; F1221-A1272 HydrophobicContact CD1-CB 4.08Å; F1221-A1272 HydrophobicContact CE1-CB 3.66Å; F1221-A1272 HydrophobicContact CZ-CB 4.14Å; F1221-K1277 HydrophobicContact CD2-CB 3.91Å; F1221-K1277 HydrophobicContact CD2-CG 3.74Å; F1221-K1277 HydrophobicContact CE2-CB 4.09Å; F1221-K1277 HydrophobicContact CE2-CG 3.64Å; F1221-K1277 HydrophobicContact CG-CB 4.46Å; F1221-L1279 HydrophobicContact CB-CD2 3.82Å; F1221-L1279 HydrophobicContact CD1-CD2 3.61Å; F1221-L1279 HydrophobicContact CE1-CD2 4.46Å; F1221-L1279 HydrophobicContact CG-CD2 3.99Å |
| 1222 | S | 88.6 | Confident | 87.9 | Confident | 65 Ų | 65 | 50.4 Ų | 50.4 | 46% | 0.455 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.6 | -50.7 | 176.7 | -178.1 | 0 | 0 | 0 | 0 | 112.2 | R1218 E1219 W1220 T1225 R1226 | R1218-S1222 PolarHBondContact O-N 3.31Å; E1219-S1222 WeakPolarHBondContact O-CB 3.31Å; E1219-S1222 PolarHBondContact O-N 3.15Å; W1220-S1222 VanDerWaalsContact C-N 3.29Å; W1220-S1222 PolarHBondContact O-N 3.47Å; S1222-T1225 PolarHBondContact O-N 3.17Å; S1222-R1226 PolarHBondContact O-N 3.21Å |
| 1223 | V | 91 | Very high | 88.8 | Confident | 39 Ų | 39 | 47.7 Ų | 47.7 | 24% | 0.236 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.7 | -41.3 | -176.6 | -175.4 | 0 | 0 | 0 | 0 | 111.3 | I1181 E1219 W1220 T1225 R1226 E1227 | I1181-V1223 HydrophobicContact CD1-CB 3.79Å; I1181-V1223 HydrophobicContact CD1-CG1 3.89Å; I1181-V1223 HydrophobicContact CG2-CG1 3.98Å; E1219-V1223 HydrophobicContact CG-CG2 4.21Å; E1219-V1223 WeakPolarHBondContact O-CG2 3.3Å; E1219-V1223 PolarHBondContact O-N 2.93Å; W1220-V1223 PolarHBondContact O-N 2.84Å; V1223-T1225 VanDerWaalsContact C-N 3.31Å; V1223-T1225 PolarHBondContact O-N 2.91Å; V1223-R1226 PolarHBondContact O-N 2.98Å; V1223-E1227 PolarHBondContact O-N 2.94Å; V1223-E1227 VanDerWaalsContact O-N 3.15Å |
| 1224 | I | 92.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.5 | -35 | 177.2 | -158.8 | 168.7 | 0 | 0 | 0 | 111.8 | I1181 F1182 W1220 R1226 E1227 I1228 F1264 L1268 | I1181-I1224 HydrophobicContact CD1-CB 4.48Å; F1182-I1224 HydrophobicContact CD2-CG1 4.11Å; W1220-I1224 HydrophobicContact CZ2-CD1 3.92Å; W1220-I1224 WeakPolarHBondContact O-CB 3.42Å; W1220-I1224 WeakPolarHBondContact O-CG2 3.46Å; W1220-I1224 PolarHBondContact O-N 3Å; I1224-R1226 VanDerWaalsContact C-N 3.3Å; I1224-R1226 PolarHBondContact O-N 3.3Å; I1224-E1227 PolarHBondContact O-N 3.23Å; I1224-E1227 VanDerWaalsContact O-N 3.15Å; I1224-I1228 VanDerWaalsContact O-CG1 3.29Å; I1224-I1228 WeakPolarHBondContact O-CG1 3.15Å; I1224-I1228 PolarHBondContact O-N 2.69Å; I1224-F1264 HydrophobicContact CD1-CE1 4.34Å; I1224-F1264 HydrophobicContact CD1-CZ 4.08Å; I1224-L1268 HydrophobicContact CD1-CD1 4.47Å; I1224-L1268 HydrophobicContact CD1-CD2 3.69Å; I1224-L1268 HydrophobicContact CG1-CD2 4.02Å; I1224-L1268 HydrophobicContact CG2-CD1 4.49Å; I1224-L1268 HydrophobicContact CG2-CD2 4.01Å |
| 1225 | T | 91.3 | Very high | 90.9 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.9 | -39.1 | 175.5 | -62.5 | 0 | 0 | 0 | 0 | 111.8 | F1221 S1222 V1223 I1228 F1229 L1279 C1281 | F1221-T1225 VanDerWaalsContact O-CB 3.28Å; F1221-T1225 WeakPolarHBondContact O-CB 3.29Å; F1221-T1225 PolarHBondContact O-N 3.3Å; F1221-T1225 PolarHBondContact O-OG1 3.15Å; S1222-T1225 PolarHBondContact O-N 3.17Å; V1223-T1225 VanDerWaalsContact C-N 3.31Å; V1223-T1225 PolarHBondContact O-N 2.91Å; T1225-I1228 PolarHBondContact O-N 3.38Å; T1225-F1229 HydrophobicContact CG2-CD2 4.49Å; T1225-F1229 HydrophobicContact CG2-CE2 4.03Å; T1225-F1229 WeakPolarHBondContact O-CD2 3.31Å; T1225-L1279 HydrophobicContact CG2-CB 4.27Å; T1225-C1281 HydrophobicContact CG2-CB 3.88Å |
| 1226 | R | 90.5 | Very high | 91.6 | Very high | 179 Ų | 179 | 45.2 Ų | 45.2 | 68% | 0.675 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -65.2 | -39.9 | 174.3 | -68.1 | 173.6 | 59.3 | -161.6 | -4.4 | 111.9 | S1222 V1223 I1224 F1229 N1230 | S1222-R1226 PolarHBondContact O-N 3.21Å; V1223-R1226 PolarHBondContact O-N 2.98Å; I1224-R1226 VanDerWaalsContact C-N 3.3Å; I1224-R1226 PolarHBondContact O-N 3.3Å; R1226-F1229 PolarHBondContact O-N 2.93Å; R1226-N1230 PolarHBondContact O-N 3.09Å |
| 1227 | E | 92.5 | Very high | 91.7 | Very high | 42 Ų | 42 | 47.5 Ų | 47.5 | 20% | 0.196 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69 | -32.6 | 178 | -81.8 | -68.7 | 99.4 | 0 | 0 | 113.7 | I1181 F1182 V1223 I1224 F1229 N1230 Y1233 | I1181-E1227 HydrophobicContact CG2-CG 3.89Å; F1182-E1227 HydrophobicContact CB-CB 3.82Å; F1182-E1227 HydrophobicContact CB-CG 4.42Å; F1182-E1227 HydrophobicContact CG-CB 4.47Å; V1223-E1227 PolarHBondContact O-N 2.94Å; V1223-E1227 VanDerWaalsContact O-N 3.15Å; I1224-E1227 PolarHBondContact O-N 3.23Å; I1224-E1227 VanDerWaalsContact O-N 3.15Å; E1227-F1229 PolarHBondContact O-N 3.08Å; E1227-N1230 WeakPolarHBondContact O-CB 3.41Å; E1227-N1230 PolarHBondContact O-N 2.84Å; E1227-N1230 PolarHBondContact OE1-ND2 3.27Å; E1227-Y1233 HydrophobicContact CB-CE2 4.35Å; E1227-Y1233 WeakPolarHBondContact O-CD2 3.35Å; E1227-Y1233 VanDerWaalsContact O-CE2 3.28Å; E1227-Y1233 WeakPolarHBondContact O-CE2 3.4Å; E1227-Y1233 VanDerWaalsContact OE2-CE2 3.26Å; E1227-Y1233 WeakPolarHBondContact OE2-CE2 3.16Å; E1227-Y1233 PolarHBondContact OE2-OH 3.01Å |
| 1228 | I | 93.1 | Very high | 91.7 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.5 | -33.9 | 174.5 | -70.9 | 163.7 | 0 | 0 | 0 | 112 | F1182 I1224 T1225 F1236 I1265 L1268 | F1182-I1228 HydrophobicContact CD2-CG1 4.13Å; F1182-I1228 HydrophobicContact CE2-CG1 3.92Å; I1224-I1228 VanDerWaalsContact O-CG1 3.29Å; I1224-I1228 WeakPolarHBondContact O-CG1 3.15Å; I1224-I1228 PolarHBondContact O-N 2.69Å; T1225-I1228 PolarHBondContact O-N 3.38Å; I1228-F1236 HydrophobicContact CG2-CD2 3.81Å; I1228-F1236 HydrophobicContact CG2-CE2 3.67Å; I1228-I1265 HydrophobicContact CD1-CG1 4.36Å; I1228-I1265 HydrophobicContact CD1-CG2 4.25Å; I1228-I1265 HydrophobicContact CG1-CD1 4.3Å; I1228-I1265 HydrophobicContact CG1-CG1 4.1Å; I1228-I1265 HydrophobicContact CG2-CD1 4.01Å; I1228-I1265 HydrophobicContact CG2-CG1 4.39Å; I1228-I1265 HydrophobicContact CG2-CG2 4.03Å; I1228-L1268 HydrophobicContact CD1-CD2 3.63Å |
| 1229 | F | 92.4 | Very high | 91.7 | Very high | 17 Ų | 17 | 43.5 Ų | 43.5 | 8% | 0.075 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 3.8 | 178.9 | -60.2 | -58.5 | 0 | 0 | 0 | 114.1 | T1225 R1226 E1227 P1231 F1236 Y1246 C1281 F1283 | T1225-F1229 HydrophobicContact CG2-CD2 4.49Å; T1225-F1229 HydrophobicContact CG2-CE2 4.03Å; T1225-F1229 WeakPolarHBondContact O-CD2 3.31Å; R1226-F1229 PolarHBondContact O-N 2.93Å; E1227-F1229 PolarHBondContact O-N 3.08Å; F1229-P1231 VanDerWaalsContact O-CD 3.3Å; F1229-P1231 WeakPolarHBondContact O-CD 3.11Å; F1229-F1236 HydrophobicContact CD1-CB 3.79Å; F1229-F1236 HydrophobicContact CD1-CD2 4.18Å; F1229-F1236 HydrophobicContact CD1-CG 4.01Å; F1229-F1236 HydrophobicContact CE1-CB 4.14Å; F1229-F1236 HydrophobicContact CE1-CD1 4.29Å; F1229-F1236 HydrophobicContact CE1-CD2 4.1Å; F1229-F1236 AromaticContact CE1-CG 3.92Å; F1229-F1236 HydrophobicContact CE1-CG 3.92Å; F1229-Y1246 HydrophobicContact CB-CD1 4.28Å; F1229-Y1246 HydrophobicContact CB-CE1 3.69Å; F1229-Y1246 HydrophobicContact CB-CE2 4.17Å; F1229-Y1246 AromaticContact CD1-CD1 3.45Å; F1229-Y1246 HydrophobicContact CD1-CD1 3.45Å; F1229-Y1246 VanDerWaalsContact CD1-CD1 3.45Å; F1229-Y1246 AromaticContact CD1-CD2 3.54Å; F1229-Y1246 HydrophobicContact CD1-CD2 3.54Å; F1229-Y1246 AromaticContact CD1-CE1 3.74Å; F1229-Y1246 HydrophobicContact CD1-CE1 3.74Å; F1229-Y1246 AromaticContact CD1-CE2 3.83Å; F1229-Y1246 HydrophobicContact CD1-CE2 3.83Å; F1229-Y1246 AromaticContact CD1-CG 3.34Å; F1229-Y1246 HydrophobicContact CD1-CG 3.34Å; F1229-Y1246 AromaticContact CD1-CZ 3.92Å; F1229-Y1246 HydrophobicContact CD2-CD2 4.12Å; F1229-Y1246 AromaticContact CD2-CE2 3.8Å; F1229-Y1246 HydrophobicContact CD2-CE2 3.8Å; F1229-Y1246 HydrophobicContact CE1-CD1 4.04Å; F1229-Y1246 AromaticContact CE1-CD2 3.53Å; F1229-Y1246 HydrophobicContact CE1-CD2 3.53Å; F1229-Y1246 HydrophobicContact CE1-CE2 4.18Å; F1229-Y1246 AromaticContact CE1-CG 3.44Å; F1229-Y1246 HydrophobicContact CE1-CG 3.44Å; F1229-Y1246 VanDerWaalsContact CE1-CG 3.44Å; F1229-Y1246 HydrophobicContact CE2-CD2 4.09Å; F1229-Y1246 HydrophobicContact CE2-CE2 4.14Å; F1229-Y1246 HydrophobicContact CG-CD1 4.02Å; F1229-Y1246 AromaticContact CG-CD2 3.86Å; F1229-Y1246 HydrophobicContact CG-CD2 3.86Å; F1229-Y1246 AromaticContact CG-CE1 3.81Å; F1229-Y1246 HydrophobicContact CG-CE1 3.81Å; F1229-Y1246 AromaticContact CG-CE2 3.64Å; F1229-Y1246 HydrophobicContact CG-CE2 3.64Å; F1229-Y1246 HydrophobicContact CG-CG 4.04Å; F1229-Y1246 AromaticContact CG-CZ 3.61Å; F1229-Y1246 AromaticContact CZ-CD2 3.81Å; F1229-Y1246 HydrophobicContact CZ-CD2 3.81Å; F1229-Y1246 HydrophobicContact CZ-CE2 4.33Å; F1229-Y1246 HydrophobicContact CZ-CG 4.2Å; F1229-C1281 HydrophobicContact CE2-CB 3.49Å; F1229-C1281 VanDerWaalsContact CE2-CB 3.49Å; F1229-C1281 HydrophobicContact CZ-CB 3.6Å; F1229-F1283 HydrophobicContact CE1-CD1 4.49Å; F1229-F1283 AromaticContact CE1-CE1 3.76Å; F1229-F1283 HydrophobicContact CE1-CE1 3.76Å; F1229-F1283 HydrophobicContact CE1-CZ 4.26Å; F1229-F1283 AromaticContact CZ-CE1 3.75Å; F1229-F1283 HydrophobicContact CZ-CE1 3.75Å; F1229-F1283 AromaticContact CZ-CZ 3.8Å; F1229-F1283 HydrophobicContact CZ-CZ 3.8Å |
| 1230 | N | 91.3 | Very high | 91.5 | Very high | 39 Ų | 39 | 43.2 Ų | 43.2 | 21% | 0.209 | 23% | 0.233 | C | C | . | . | trans | -65.6 | 118.3 | 175.8 | -174.8 | -26 | 0 | 0 | 0 | 109.4 | R1226 E1227 N1232 Y1233 | R1226-N1230 PolarHBondContact O-N 3.09Å; E1227-N1230 WeakPolarHBondContact O-CB 3.41Å; E1227-N1230 PolarHBondContact O-N 2.84Å; E1227-N1230 PolarHBondContact OE1-ND2 3.27Å; N1230-N1232 PolarHBondContact O-N 3.19Å; N1230-N1232 WeakPolarHBondContact OD1-CB 3.34Å; N1230-N1232 PolarHBondContact OD1-N 3.46Å; N1230-N1232 PolarHBondContact OD1-ND2 3.37Å; N1230-Y1233 HydrophobicContact CB-CD2 3.86Å; N1230-Y1233 HydrophobicContact CB-CE2 3.85Å; N1230-Y1233 PolarHBondContact O-N 3.3Å; N1230-Y1233 VanDerWaalsContact O-N 3.14Å | ||
| 1231 | P | 91.7 | Very high | 90.5 | Very high | 103 Ų | 103 | 43.2 Ų | 43.2 | 67% | 0.669 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -56.7 | -23.2 | -174.8 | -28 | 36.5 | 0 | 0 | 0 | 114.3 | F1229 Y1233 A1234 | F1229-P1231 VanDerWaalsContact O-CD 3.3Å; F1229-P1231 WeakPolarHBondContact O-CD 3.11Å; P1231-Y1233 PolarHBondContact O-N 2.92Å; P1231-A1234 WeakPolarHBondContact O-CA 3.47Å; P1231-A1234 PolarHBondContact O-N 3.44Å |
| 1232 | N | 91.3 | Very high | 89.4 | Confident | 143 Ų | 143 | 43.2 Ų | 43.2 | 77% | 0.765 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -62 | -25.6 | 179.9 | -65.9 | -25.4 | 0 | 0 | 0 | 113.8 | N1230 A1234 | N1230-N1232 PolarHBondContact O-N 3.19Å; N1230-N1232 WeakPolarHBondContact OD1-CB 3.34Å; N1230-N1232 PolarHBondContact OD1-N 3.46Å; N1230-N1232 PolarHBondContact OD1-ND2 3.37Å; N1232-A1234 VanDerWaalsContact C-N 3.32Å |
| 1233 | Y | 92.3 | Very high | 89 | Confident | 26 Ų | 26 | 45.3 Ų | 45.3 | 10% | 0.102 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -83.4 | -10.4 | 173.8 | -56.8 | -67.7 | 0 | 0 | 0 | 113.3 | F1182 Q1183 E1227 N1230 P1231 L1235 N1255 | F1182-Y1233 HydrophobicContact CB-CE2 4.48Å; F1182-Y1233 HydrophobicContact CD1-CD1 4.04Å; F1182-Y1233 HydrophobicContact CD1-CD2 4.27Å; F1182-Y1233 AromaticContact CD1-CE1 3.65Å; F1182-Y1233 HydrophobicContact CD1-CE1 3.65Å; F1182-Y1233 AromaticContact CD1-CE2 3.92Å; F1182-Y1233 HydrophobicContact CD1-CE2 3.92Å; F1182-Y1233 HydrophobicContact CD1-CG 4.33Å; F1182-Y1233 AromaticContact CD1-CZ 3.6Å; F1182-Y1233 HydrophobicContact CE1-CD1 4.01Å; F1182-Y1233 HydrophobicContact CE1-CD2 4.4Å; F1182-Y1233 HydrophobicContact CE1-CE1 4.1Å; F1182-Y1233 HydrophobicContact CE1-CG 4.18Å; F1182-Y1233 HydrophobicContact CG-CE2 4.33Å; Q1183-Y1233 HydrophobicContact CG-CE1 4.3Å; E1227-Y1233 HydrophobicContact CB-CE2 4.35Å; E1227-Y1233 WeakPolarHBondContact O-CD2 3.35Å; E1227-Y1233 VanDerWaalsContact O-CE2 3.28Å; E1227-Y1233 WeakPolarHBondContact O-CE2 3.4Å; E1227-Y1233 VanDerWaalsContact OE2-CE2 3.26Å; E1227-Y1233 WeakPolarHBondContact OE2-CE2 3.16Å; E1227-Y1233 PolarHBondContact OE2-OH 3.01Å; N1230-Y1233 HydrophobicContact CB-CD2 3.86Å; N1230-Y1233 HydrophobicContact CB-CE2 3.85Å; N1230-Y1233 PolarHBondContact O-N 3.3Å; N1230-Y1233 VanDerWaalsContact O-N 3.14Å; P1231-Y1233 PolarHBondContact O-N 2.92Å; Y1233-L1235 WeakPolarHBondContact O-CG 3.43Å; Y1233-L1235 PolarHBondContact O-N 2.82Å; Y1233-L1235 VanDerWaalsContact O-N 3.16Å; Y1233-N1255 PolarHBondContact O-ND2 3.03Å |
| 1234 | A | 93.5 | Very high | 88.5 | Confident | 21 Ų | 21 | 45.1 Ų | 45.1 | 17% | 0.174 | 23% | 0.23 | C | C | . | . | trans | 56.6 | 18.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | P1231 N1232 N1249 S1252 | P1231-A1234 WeakPolarHBondContact O-CA 3.47Å; P1231-A1234 PolarHBondContact O-N 3.44Å; N1232-A1234 VanDerWaalsContact C-N 3.32Å; A1234-N1249 WeakPolarHBondContact O-CB 3.19Å; A1234-N1249 PolarHBondContact O-ND2 3.12Å; A1234-S1252 VanDerWaalsContact O-CA 3.24Å; A1234-S1252 WeakPolarHBondContact O-CA 3.4Å; A1234-S1252 VanDerWaalsContact O-CB 3.23Å; A1234-S1252 WeakPolarHBondContact O-CB 3.48Å | ||
| 1235 | L | 95.1 | Very high | 88.4 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -80.1 | -49 | -173.2 | -56.8 | 177.4 | 0 | 0 | 0 | 113 | F1182 Y1233 N1249 H1258 Y1261 F1262 I1265 | F1182-L1235 HydrophobicContact CE1-CD1 4.48Å; F1182-L1235 HydrophobicContact CZ-CD1 3.97Å; Y1233-L1235 WeakPolarHBondContact O-CG 3.43Å; Y1233-L1235 PolarHBondContact O-N 2.82Å; Y1233-L1235 VanDerWaalsContact O-N 3.16Å; L1235-N1249 WeakPolarHBondContact O-CB 3.23Å; L1235-N1249 PolarHBondContact O-N 3.16Å; L1235-H1258 HydrophobicContact CD2-CB 3.82Å; L1235-Y1261 HydrophobicContact CD1-CG 4.26Å; L1235-Y1261 HydrophobicContact CD2-CD2 4.45Å; L1235-F1262 HydrophobicContact CB-CE1 4.06Å; L1235-F1262 HydrophobicContact CB-CZ 3.98Å; L1235-F1262 HydrophobicContact CD2-CE2 4.14Å; L1235-F1262 HydrophobicContact CD2-CZ 4.14Å; L1235-F1262 VanDerWaalsContact O-CZ 3.27Å; L1235-F1262 WeakPolarHBondContact O-CZ 3.34Å; L1235-I1265 HydrophobicContact CD1-CD1 3.53Å |
| 1236 | F | 94.8 | Very high | 88.4 | Confident | 9 Ų | 9 | 47.3 Ų | 47.3 | 4% | 0.039 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 159.6 | -179.9 | -67.3 | -85.2 | 0 | 0 | 0 | 110.9 | I1228 F1229 Y1246 M1247 I1248 F1262 I1265 F1283 F1287 | I1228-F1236 HydrophobicContact CG2-CD2 3.81Å; I1228-F1236 HydrophobicContact CG2-CE2 3.67Å; F1229-F1236 HydrophobicContact CD1-CB 3.79Å; F1229-F1236 HydrophobicContact CD1-CD2 4.18Å; F1229-F1236 HydrophobicContact CD1-CG 4.01Å; F1229-F1236 HydrophobicContact CE1-CB 4.14Å; F1229-F1236 HydrophobicContact CE1-CD1 4.29Å; F1229-F1236 HydrophobicContact CE1-CD2 4.1Å; F1229-F1236 AromaticContact CE1-CG 3.92Å; F1229-F1236 HydrophobicContact CE1-CG 3.92Å; F1236-Y1246 HydrophobicContact CB-CD1 4.41Å; F1236-M1247 WeakPolarHBondContact CA-O 3.43Å; F1236-M1247 WeakPolarHBondContact CD1-O 3.36Å; F1236-I1248 HydrophobicContact CD1-CG1 4.22Å; F1236-I1248 HydrophobicContact CE1-CG1 3.73Å; F1236-I1248 HydrophobicContact CZ-CG1 4.45Å; F1236-F1262 HydrophobicContact CE1-CE1 4.38Å; F1236-F1262 HydrophobicContact CE2-CD1 4.42Å; F1236-F1262 HydrophobicContact CE2-CE1 4.03Å; F1236-F1262 HydrophobicContact CZ-CD1 4.21Å; F1236-F1262 AromaticContact CZ-CE1 3.93Å; F1236-F1262 HydrophobicContact CZ-CE1 3.93Å; F1236-I1265 HydrophobicContact CE2-CD1 4.23Å; F1236-I1265 HydrophobicContact CE2-CG2 4.26Å; F1236-I1265 HydrophobicContact CZ-CG2 4.45Å; F1236-F1283 HydrophobicContact CD1-CD1 4.45Å; F1236-F1283 HydrophobicContact CD1-CE1 4.09Å; F1236-F1283 HydrophobicContact CE1-CD1 4.11Å; F1236-F1283 AromaticContact CE1-CE1 3.59Å; F1236-F1283 HydrophobicContact CE1-CE1 3.59Å; F1236-F1283 AromaticContact CZ-CE1 3.94Å; F1236-F1283 HydrophobicContact CZ-CE1 3.94Å; F1236-F1287 HydrophobicContact CE1-CZ 4.45Å |
| 1237 | M | 92.1 | Very high | 88.5 | Confident | 76 Ų | 76 | 39.7 Ų | 39.7 | 37% | 0.374 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 157.9 | 171.4 | 60.2 | -177.1 | -78.8 | 0 | 0 | 109.7 | Y1246 M1247 N1249 | M1237-Y1246 WeakPolarHBondContact O-CA 3.45Å; M1237-M1247 HydrophobicContact CE-SD 4.11Å; M1237-M1247 HydrophobicContact CG-CG 3.54Å; M1237-M1247 HydrophobicContact CG-SD 3.92Å; M1237-M1247 PolarHBondContact N-O 3.15Å; M1237-M1247 WeakPolarHBondContact O-CG 3.22Å; M1237-M1247 PolarHBondContact O-N 3.39Å; M1237-M1247 HydrophobicContact SD-CG 4.49Å; M1237-M1247 HydrophobicContact SD-SD 4.15Å; M1237-N1249 HydrophobicContact CB-CB 4.45Å; M1237-N1249 HydrophobicContact CG-CB 4.22Å; M1237-N1249 HydrophobicContact SD-CB 4.33Å |
| 1238 | T | 90.8 | Very high | 88.6 | Confident | 69 Ų | 69 | 37.9 Ų | 37.9 | 42% | 0.423 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 149.2 | 178.7 | 44.8 | 0 | 0 | 0 | 0 | 112 | R1243 T1245 Y1246 | T1238-R1243 WeakPolarHBondContact CG2-O 3.48Å; T1238-T1245 CarbonylContact C-O 3.5Å; T1238-T1245 WeakPolarHBondContact CA-O 3.28Å; T1238-Y1246 HydrophobicContact CG2-CD1 3.89Å; T1238-Y1246 HydrophobicContact CG2-CE1 3.5Å |
| 1239 | S | 86.7 | Confident | 88.6 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.007 | 21% | 0.208 | C | C | . | . | trans | -59.5 | 130.4 | 173.2 | 157.2 | 0 | 0 | 0 | 0 | 111.5 | G1241 D1242 R1243 T1245 S1303 | S1239-G1241 VanDerWaalsContact C-N 3.27Å; S1239-G1241 PolarHBondContact O-N 3.15Å; S1239-G1241 PolarHBondContact OG-N 2.84Å; S1239-G1241 VanDerWaalsContact OG-N 3.16Å; S1239-D1242 PolarHBondContact OG-N 2.68Å; S1239-R1243 WeakPolarHBondContact O-CA 3.41Å; S1239-R1243 PolarHBondContact O-N 3.45Å; S1239-T1245 VanDerWaalsContact CB-OG1 3.24Å; S1239-T1245 WeakPolarHBondContact CB-OG1 3.4Å; S1239-T1245 PolarHBondContact N-O 3.16Å; S1239-S1303 PolarHBondContact OG-O 3.26Å | ||
| 1240 | P | 82.6 | Confident | 88.4 | Confident | 68 Ų | 68 | 40.8 Ų | 40.8 | 44% | 0.442 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -31.3 | 171.1 | -24.6 | 35.3 | 0 | 0 | 0 | 113.8 | E1304 | P1240-E1304 WeakPolarHBondContact CD-O 2.88Å; P1240-E1304 WeakPolarHBondContact CG-O 3.34Å |
| 1241 | G | 72.2 | Confident | 88.3 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -55.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S1239 S1303 M1472 C1496 | S1239-G1241 VanDerWaalsContact C-N 3.27Å; S1239-G1241 PolarHBondContact O-N 3.15Å; S1239-G1241 PolarHBondContact OG-N 2.84Å; S1239-G1241 VanDerWaalsContact OG-N 3.16Å; G1241-S1303 PolarHBondContact N-O 3.03Å; G1241-M1472 VanDerWaalsContact O-CA 3.23Å; G1241-M1472 WeakPolarHBondContact O-CA 3.46Å; G1241-M1472 WeakPolarHBondContact O-CB 3.22Å; G1241-M1472 PolarHBondContact O-N 3.48Å; G1241-C1496 WeakPolarHBondContact CA-SG 3.44Å |
| 1242 | D | 71.6 | Confident | 88.4 | Confident | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -16.9 | -170.3 | -51.6 | -28.4 | 0 | 0 | 0 | 112.7 | S1239 V1244 S1303 T1495 C1496 | S1239-D1242 PolarHBondContact OG-N 2.68Å; D1242-V1244 HydrophobicContact CB-CG2 4.47Å; D1242-V1244 PolarHBondContact O-N 3.42Å; D1242-S1303 WeakPolarHBondContact OD2-CB 3.42Å; D1242-T1495 WeakPolarHBondContact OD1-CB 3.46Å; D1242-T1495 PolarHBondContact OD1-OG1 3.05Å; D1242-C1496 PolarHBondContact OD1-N 2.78Å; D1242-C1496 PolarHBondContact OD1-SG 3.31Å; D1242-C1496 VanDerWaalsContact OD1-SG 3.33Å |
| 1243 | R | 78.5 | Confident | 88.3 | Confident | 109 Ų | 109 | 33.1 Ų | 33.1 | 41% | 0.411 | 18% | 0.175 | S | C | . | . | S | Bend | trans | 61.2 | -23.5 | -179.4 | -55.7 | -177.9 | 178.2 | -150.5 | 1.9 | 117.5 | T1238 S1239 G1471 M1472 | T1238-R1243 WeakPolarHBondContact CG2-O 3.48Å; S1239-R1243 WeakPolarHBondContact O-CA 3.41Å; S1239-R1243 PolarHBondContact O-N 3.45Å; R1243-G1471 WeakPolarHBondContact CD-O 3.28Å; R1243-G1471 PolarHBondContact NE-O 3.36Å; R1243-M1472 PolarHBondContact NE-O 3.2Å; R1243-M1472 PolarHBondContact NH2-O 2.99Å |
| 1244 | V | 82.2 | Confident | 88.1 | Confident | 35 Ų | 35 | 37.2 Ų | 37.2 | 21% | 0.212 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -92.8 | -17.4 | -177.2 | -62.3 | 0 | 0 | 0 | 0 | 114.1 | D1242 T1458 | D1242-V1244 HydrophobicContact CB-CG2 4.47Å; D1242-V1244 PolarHBondContact O-N 3.42Å; V1244-T1458 HydrophobicContact CG2-CG2 3.57Å |
| 1245 | T | 89.3 | Confident | 88 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -98 | 152.8 | 176.8 | 51.6 | 0 | 0 | 0 | 0 | 111.4 | T1238 S1239 Y1282 T1458 | T1238-T1245 CarbonylContact C-O 3.5Å; T1238-T1245 WeakPolarHBondContact CA-O 3.28Å; S1239-T1245 VanDerWaalsContact CB-OG1 3.24Å; S1239-T1245 WeakPolarHBondContact CB-OG1 3.4Å; S1239-T1245 PolarHBondContact N-O 3.16Å; T1245-Y1282 CarbonylContact C-O 3.57Å; T1245-Y1282 WeakPolarHBondContact CA-O 3.23Å; T1245-T1458 HydrophobicContact CG2-CG2 4.44Å |
| 1246 | Y | 92.5 | Very high | 87.8 | Confident | 48 Ų | 48 | 47 Ų | 47 | 19% | 0.188 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 142.6 | -178.8 | -66.1 | -84.1 | 0 | 0 | 0 | 113.4 | F1229 F1236 M1237 T1238 Y1282 F1283 T1284 | F1229-Y1246 HydrophobicContact CB-CD1 4.28Å; F1229-Y1246 HydrophobicContact CB-CE1 3.69Å; F1229-Y1246 HydrophobicContact CB-CE2 4.17Å; F1229-Y1246 AromaticContact CD1-CD1 3.45Å; F1229-Y1246 HydrophobicContact CD1-CD1 3.45Å; F1229-Y1246 VanDerWaalsContact CD1-CD1 3.45Å; F1229-Y1246 AromaticContact CD1-CD2 3.54Å; F1229-Y1246 HydrophobicContact CD1-CD2 3.54Å; F1229-Y1246 AromaticContact CD1-CE1 3.74Å; F1229-Y1246 HydrophobicContact CD1-CE1 3.74Å; F1229-Y1246 AromaticContact CD1-CE2 3.83Å; F1229-Y1246 HydrophobicContact CD1-CE2 3.83Å; F1229-Y1246 AromaticContact CD1-CG 3.34Å; F1229-Y1246 HydrophobicContact CD1-CG 3.34Å; F1229-Y1246 AromaticContact CD1-CZ 3.92Å; F1229-Y1246 HydrophobicContact CD2-CD2 4.12Å; F1229-Y1246 AromaticContact CD2-CE2 3.8Å; F1229-Y1246 HydrophobicContact CD2-CE2 3.8Å; F1229-Y1246 HydrophobicContact CE1-CD1 4.04Å; F1229-Y1246 AromaticContact CE1-CD2 3.53Å; F1229-Y1246 HydrophobicContact CE1-CD2 3.53Å; F1229-Y1246 HydrophobicContact CE1-CE2 4.18Å; F1229-Y1246 AromaticContact CE1-CG 3.44Å; F1229-Y1246 HydrophobicContact CE1-CG 3.44Å; F1229-Y1246 VanDerWaalsContact CE1-CG 3.44Å; F1229-Y1246 HydrophobicContact CE2-CD2 4.09Å; F1229-Y1246 HydrophobicContact CE2-CE2 4.14Å; F1229-Y1246 HydrophobicContact CG-CD1 4.02Å; F1229-Y1246 AromaticContact CG-CD2 3.86Å; F1229-Y1246 HydrophobicContact CG-CD2 3.86Å; F1229-Y1246 AromaticContact CG-CE1 3.81Å; F1229-Y1246 HydrophobicContact CG-CE1 3.81Å; F1229-Y1246 AromaticContact CG-CE2 3.64Å; F1229-Y1246 HydrophobicContact CG-CE2 3.64Å; F1229-Y1246 HydrophobicContact CG-CG 4.04Å; F1229-Y1246 AromaticContact CG-CZ 3.61Å; F1229-Y1246 AromaticContact CZ-CD2 3.81Å; F1229-Y1246 HydrophobicContact CZ-CD2 3.81Å; F1229-Y1246 HydrophobicContact CZ-CE2 4.33Å; F1229-Y1246 HydrophobicContact CZ-CG 4.2Å; F1236-Y1246 HydrophobicContact CB-CD1 4.41Å; M1237-Y1246 WeakPolarHBondContact O-CA 3.45Å; T1238-Y1246 HydrophobicContact CG2-CD1 3.89Å; T1238-Y1246 HydrophobicContact CG2-CE1 3.5Å; Y1246-Y1282 PolarHBondContact N-O 2.93Å; Y1246-F1283 CarbonylContact O-C 3.2Å; Y1246-F1283 VanDerWaalsContact O-CA 3.28Å; Y1246-F1283 WeakPolarHBondContact O-CA 3.48Å; Y1246-T1284 PolarHBondContact O-N 3.31Å |
| 1247 | M | 92.3 | Very high | 87.7 | Confident | 20 Ų | 20 | 49.9 Ų | 49.9 | 10% | 0.099 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 156.7 | 171.5 | 56.8 | 172.9 | 54.8 | 0 | 0 | 110 | F1236 M1237 N1249 T1284 E1304 | F1236-M1247 WeakPolarHBondContact CA-O 3.43Å; F1236-M1247 WeakPolarHBondContact CD1-O 3.36Å; M1237-M1247 HydrophobicContact CE-SD 4.11Å; M1237-M1247 HydrophobicContact CG-CG 3.54Å; M1237-M1247 HydrophobicContact CG-SD 3.92Å; M1237-M1247 PolarHBondContact N-O 3.15Å; M1237-M1247 WeakPolarHBondContact O-CG 3.22Å; M1237-M1247 PolarHBondContact O-N 3.39Å; M1237-M1247 HydrophobicContact SD-CG 4.49Å; M1237-M1247 HydrophobicContact SD-SD 4.15Å; M1247-N1249 PolarHBondContact O-N 2.93Å; M1247-T1284 HydrophobicContact CB-CG2 4.12Å; M1247-T1284 HydrophobicContact CE-CG2 4.48Å; M1247-E1304 HydrophobicContact CE-CB 4.29Å; M1247-E1304 HydrophobicContact CE-CG 4.45Å; M1247-E1304 WeakPolarHBondContact CE-OE2 3.3Å |
| 1248 | I | 94.1 | Very high | 87.8 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 130.8 | 170 | -72.1 | -178.2 | 0 | 0 | 0 | 108.5 | F1236 P1250 F1262 F1287 I1374 Q1377 L1378 | F1236-I1248 HydrophobicContact CD1-CG1 4.22Å; F1236-I1248 HydrophobicContact CE1-CG1 3.73Å; F1236-I1248 HydrophobicContact CZ-CG1 4.45Å; I1248-P1250 VanDerWaalsContact O-CD 3.3Å; I1248-P1250 WeakPolarHBondContact O-CD 3.41Å; I1248-F1262 HydrophobicContact CD1-CD1 4.35Å; I1248-F1262 HydrophobicContact CD1-CE1 4.14Å; I1248-F1262 HydrophobicContact CG1-CE1 3.94Å; I1248-F1262 HydrophobicContact CG1-CZ 4.47Å; I1248-F1262 HydrophobicContact CG2-CE1 4.13Å; I1248-F1262 HydrophobicContact CG2-CZ 3.79Å; I1248-F1287 HydrophobicContact CD1-CE2 3.72Å; I1248-F1287 HydrophobicContact CG1-CD2 4.46Å; I1248-F1287 HydrophobicContact CG1-CE2 3.9Å; I1248-I1374 HydrophobicContact CB-CB 4.14Å; I1248-I1374 HydrophobicContact CB-CD1 4.15Å; I1248-I1374 HydrophobicContact CB-CG2 3.97Å; I1248-I1374 HydrophobicContact CD1-CD1 4.47Å; I1248-I1374 HydrophobicContact CG2-CB 3.82Å; I1248-I1374 HydrophobicContact CG2-CG2 3.66Å; I1248-Q1377 HydrophobicContact CD1-CB 3.99Å; I1248-Q1377 HydrophobicContact CG2-CB 3.7Å; I1248-Q1377 HydrophobicContact CG2-CG 3.97Å; I1248-L1378 HydrophobicContact CD1-CB 4.26Å; I1248-L1378 HydrophobicContact CD1-CD1 4.48Å |
| 1249 | N | 92.5 | Very high | 88 | Confident | 26 Ų | 26 | 46.6 Ų | 46.6 | 14% | 0.139 | 24% | 0.239 | C | C | . | . | trans | -70.8 | 120.2 | 173.3 | 177.2 | 16 | 0 | 0 | 0 | 110.5 | A1234 L1235 M1237 M1247 A1251 S1252 | A1234-N1249 WeakPolarHBondContact O-CB 3.19Å; A1234-N1249 PolarHBondContact O-ND2 3.12Å; L1235-N1249 WeakPolarHBondContact O-CB 3.23Å; L1235-N1249 PolarHBondContact O-N 3.16Å; M1237-N1249 HydrophobicContact CB-CB 4.45Å; M1237-N1249 HydrophobicContact CG-CB 4.22Å; M1237-N1249 HydrophobicContact SD-CB 4.33Å; M1247-N1249 PolarHBondContact O-N 2.93Å; N1249-A1251 PolarHBondContact O-N 2.74Å; N1249-A1251 WeakPolarHBondContact OD1-CB 3.48Å; N1249-A1251 PolarHBondContact OD1-N 2.9Å; N1249-S1252 WeakPolarHBondContact O-CB 3.45Å; N1249-S1252 PolarHBondContact O-N 2.96Å; N1249-S1252 VanDerWaalsContact O-N 3.1Å; N1249-S1252 PolarHBondContact O-OG 3.26Å | ||
| 1250 | P | 89.6 | Confident | 88.4 | Confident | 57 Ų | 57 | 51.6 Ų | 51.6 | 37% | 0.37 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -60.5 | -30.8 | 173.6 | -23 | 35.2 | 0 | 0 | 0 | 112.7 | I1248 S1252 Y1253 A1373 I1374 | I1248-P1250 VanDerWaalsContact O-CD 3.3Å; I1248-P1250 WeakPolarHBondContact O-CD 3.41Å; P1250-S1252 PolarHBondContact O-N 2.97Å; P1250-Y1253 WeakPolarHBondContact O-CD1 3.48Å; P1250-A1373 HydrophobicContact CB-CB 4.19Å; P1250-I1374 HydrophobicContact CG-CG2 4.14Å |
| 1251 | A | 89.1 | Confident | 89 | Confident | 38 Ų | 38 | 49.8 Ų | 49.8 | 31% | 0.314 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -80.2 | 8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | N1249 Y1253 V1254 | N1249-A1251 PolarHBondContact O-N 2.74Å; N1249-A1251 WeakPolarHBondContact OD1-CB 3.48Å; N1249-A1251 PolarHBondContact OD1-N 2.9Å; A1251-Y1253 HydrophobicContact CB-CE1 4.44Å; A1251-Y1253 PolarHBondContact O-N 2.96Å; A1251-V1254 WeakPolarHBondContact O-CG2 3.46Å; A1251-V1254 PolarHBondContact O-N 2.83Å; A1251-V1254 VanDerWaalsContact O-N 3.12Å |
| 1252 | S | 92.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -57.8 | -20.3 | -179.2 | 47.9 | 0 | 0 | 0 | 0 | 114.8 | A1234 N1249 P1250 V1254 N1255 H1258 Q1377 | A1234-S1252 VanDerWaalsContact O-CA 3.24Å; A1234-S1252 WeakPolarHBondContact O-CA 3.4Å; A1234-S1252 VanDerWaalsContact O-CB 3.23Å; A1234-S1252 WeakPolarHBondContact O-CB 3.48Å; N1249-S1252 WeakPolarHBondContact O-CB 3.45Å; N1249-S1252 PolarHBondContact O-N 2.96Å; N1249-S1252 VanDerWaalsContact O-N 3.1Å; N1249-S1252 PolarHBondContact O-OG 3.26Å; P1250-S1252 PolarHBondContact O-N 2.97Å; S1252-V1254 PolarHBondContact O-N 2.93Å; S1252-N1255 PolarHBondContact O-N 2.93Å; S1252-H1258 VanDerWaalsContact O-CB 3.32Å; S1252-H1258 WeakPolarHBondContact O-CB 3.49Å; S1252-H1258 PolarHBondContact OG-ND1 3.49Å; S1252-Q1377 WeakPolarHBondContact OG-CG 3.49Å; S1252-Q1377 PolarHBondContact OG-NE2 3.13Å |
| 1253 | Y | 88.9 | Confident | 91.4 | Very high | 86 Ų | 86 | 51.4 Ų | 51.4 | 34% | 0.337 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -60.3 | -13.1 | 174.3 | 64.7 | -100.9 | 0 | 0 | 0 | 114.6 | P1250 A1251 N1255 H1258 F1336 | P1250-Y1253 WeakPolarHBondContact O-CD1 3.48Å; A1251-Y1253 HydrophobicContact CB-CE1 4.44Å; A1251-Y1253 PolarHBondContact O-N 2.96Å; Y1253-N1255 PolarHBondContact O-N 3.46Å; Y1253-H1258 PolarHBondContact N-ND1 3.5Å; Y1253-F1336 AromaticContact CD1-CD1 3.51Å; Y1253-F1336 HydrophobicContact CD1-CD1 3.51Å; Y1253-F1336 AromaticContact CD1-CE1 3.75Å; Y1253-F1336 HydrophobicContact CD1-CE1 3.75Å; Y1253-F1336 HydrophobicContact CD1-CG 4.45Å; Y1253-F1336 AromaticContact CD2-CD1 3.99Å; Y1253-F1336 HydrophobicContact CD2-CD1 3.99Å; Y1253-F1336 AromaticContact CE1-CD1 3.9Å; Y1253-F1336 HydrophobicContact CE1-CD1 3.9Å; Y1253-F1336 HydrophobicContact CE1-CG 4.47Å; Y1253-F1336 HydrophobicContact CE2-CD1 4.35Å; Y1253-F1336 AromaticContact CG-CD1 3.57Å; Y1253-F1336 HydrophobicContact CG-CD1 3.57Å; Y1253-F1336 AromaticContact CG-CE1 3.79Å; Y1253-F1336 HydrophobicContact CG-CE1 3.79Å |
| 1254 | V | 90 | Very high | 92.2 | Very high | 111 Ų | 111 | 46.4 Ų | 46.4 | 67% | 0.673 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -59.3 | -32.5 | 168.7 | 172.6 | 0 | 0 | 0 | 0 | 111 | A1251 S1252 | A1251-V1254 WeakPolarHBondContact O-CG2 3.46Å; A1251-V1254 PolarHBondContact O-N 2.83Å; A1251-V1254 VanDerWaalsContact O-N 3.12Å; S1252-V1254 PolarHBondContact O-N 2.93Å |
| 1255 | N | 90.7 | Very high | 92.9 | Very high | 32 Ų | 32 | 44.8 Ų | 44.8 | 17% | 0.171 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -89.5 | 110.5 | 169.6 | 177.2 | -6.7 | 0 | 0 | 0 | 109.3 | Y1233 S1252 Y1253 N1257 H1258 Y1261 | Y1233-N1255 PolarHBondContact O-ND2 3.03Å; S1252-N1255 PolarHBondContact O-N 2.93Å; Y1253-N1255 PolarHBondContact O-N 3.46Å; N1255-N1257 PolarHBondContact O-N 3.27Å; N1255-N1257 VanDerWaalsContact O-N 3.12Å; N1255-N1257 PolarHBondContact OD1-N 3.42Å; N1255-N1257 VanDerWaalsContact OD1-N 3.17Å; N1255-H1258 HydrophobicContact CB-CB 4.26Å; N1255-H1258 VanDerWaalsContact O-CB 3.24Å; N1255-H1258 WeakPolarHBondContact O-CB 3.09Å; N1255-H1258 PolarHBondContact O-CD2 3.01Å; N1255-H1258 PolarHBondContact O-N 3.27Å; N1255-Y1261 WeakPolarHBondContact ND2-CD2 3.33Å |
| 1256 | K | 91.7 | Very high | 93.2 | Very high | 196 Ų | 196 | 44.8 Ų | 44.8 | 85% | 0.852 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -32.9 | -176.7 | -65.6 | -177.1 | -179.8 | 179.7 | 0 | 113.7 | H1258 | K1256-H1258 VanDerWaalsContact C-N 3.34Š|
| 1257 | N | 92 | Very high | 93.4 | Very high | 69 Ų | 69 | 43.8 Ų | 43.8 | 37% | 0.369 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 11.2 | -177.2 | -65.7 | 56.9 | 0 | 0 | 0 | 112.3 | N1255 L1259 E1260 Y1261 | N1255-N1257 PolarHBondContact O-N 3.27Å; N1255-N1257 VanDerWaalsContact O-N 3.12Å; N1255-N1257 PolarHBondContact OD1-N 3.42Å; N1255-N1257 VanDerWaalsContact OD1-N 3.17Å; N1257-L1259 VanDerWaalsContact C-N 3.28Å; N1257-L1259 PolarHBondContact O-N 3.38Å; N1257-L1259 VanDerWaalsContact O-N 3.15Å; N1257-E1260 PolarHBondContact ND2-OE2 3.01Å; N1257-E1260 WeakPolarHBondContact O-CB 3.35Å; N1257-E1260 PolarHBondContact O-N 2.83Å; N1257-Y1261 HydrophobicContact CB-CD2 3.94Å; N1257-Y1261 HydrophobicContact CB-CE2 3.7Å; N1257-Y1261 WeakPolarHBondContact O-CD2 3.3Å; N1257-Y1261 PolarHBondContact O-N 2.89Å |
| 1258 | H | 94.2 | Very high | 93.5 | Very high | 16 Ų | 16 | 42.9 Ų | 42.9 | 7% | 0.074 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -53.3 | -40.1 | -173.2 | 72 | 134.2 | 0 | 0 | 0 | 113.8 | L1235 S1252 Y1253 N1255 K1256 Y1261 F1262 | L1235-H1258 HydrophobicContact CD2-CB 3.82Å; S1252-H1258 VanDerWaalsContact O-CB 3.32Å; S1252-H1258 WeakPolarHBondContact O-CB 3.49Å; S1252-H1258 PolarHBondContact OG-ND1 3.49Å; Y1253-H1258 PolarHBondContact N-ND1 3.5Å; N1255-H1258 HydrophobicContact CB-CB 4.26Å; N1255-H1258 VanDerWaalsContact O-CB 3.24Å; N1255-H1258 WeakPolarHBondContact O-CB 3.09Å; N1255-H1258 PolarHBondContact O-CD2 3.01Å; N1255-H1258 PolarHBondContact O-N 3.27Å; K1256-H1258 VanDerWaalsContact C-N 3.34Å; H1258-Y1261 PolarHBondContact O-N 3.03Å; H1258-F1262 HydrophobicContact CB-CD2 4.36Å; H1258-F1262 HydrophobicContact CB-CE2 4.02Å; H1258-F1262 AromaticContact ND1-CE2 3.91Å; H1258-F1262 WeakPolarHBondContact O-CD2 3.24Å; H1258-F1262 WeakPolarHBondContact O-CG 3.32Å; H1258-F1262 PolarHBondContact O-N 2.84Å |
| 1259 | L | 95.1 | Very high | 93.6 | Very high | 61 Ų | 61 | 42.9 Ų | 42.9 | 32% | 0.319 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.2 | -39.4 | 178.4 | -57.7 | -175.1 | 0 | 0 | 0 | 112.8 | N1257 F1262 Q1263 Q1376 Q1377 A1380 | N1257-L1259 VanDerWaalsContact C-N 3.28Å; N1257-L1259 PolarHBondContact O-N 3.38Å; N1257-L1259 VanDerWaalsContact O-N 3.15Å; L1259-F1262 PolarHBondContact O-N 3.36Å; L1259-Q1263 PolarHBondContact O-N 2.84Å; L1259-Q1376 HydrophobicContact CD2-CB 3.89Å; L1259-Q1377 HydrophobicContact CD2-CG 4.3Å; L1259-A1380 HydrophobicContact CB-CB 4.33Å; L1259-A1380 WeakPolarHBondContact O-CB 3.47Å |
| 1260 | E | 94.9 | Very high | 93.6 | Very high | 106 Ų | 106 | 41.6 Ų | 41.6 | 50% | 0.495 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.2 | -43 | 175 | -61.3 | 174.4 | 173.9 | 0 | 0 | 110.7 | F1186 N1257 F1262 Q1263 F1264 | F1186-E1260 HydrophobicContact CE2-CB 4.06Å; F1186-E1260 HydrophobicContact CZ-CB 3.86Å; N1257-E1260 PolarHBondContact ND2-OE2 3.01Å; N1257-E1260 WeakPolarHBondContact O-CB 3.35Å; N1257-E1260 PolarHBondContact O-N 2.83Å; E1260-F1262 PolarHBondContact O-N 3.32Å; E1260-Q1263 PolarHBondContact O-N 3.27Å; E1260-F1264 WeakPolarHBondContact O-CB 3.29Å; E1260-F1264 PolarHBondContact O-N 3.32Å |
| 1261 | Y | 96.1 | Very high | 93.8 | Very high | 30 Ų | 30 | 38.9 Ų | 38.9 | 12% | 0.118 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.4 | -42.2 | 173.9 | -72.2 | -55.7 | 0 | 0 | 0 | 111.9 | F1182 F1186 L1235 N1255 N1257 H1258 Q1263 F1264 I1265 | F1182-Y1261 HydrophobicContact CD1-CE1 4.34Å; F1182-Y1261 AromaticContact CE1-CD1 3.48Å; F1182-Y1261 HydrophobicContact CE1-CD1 3.48Å; F1182-Y1261 VanDerWaalsContact CE1-CD1 3.48Å; F1182-Y1261 AromaticContact CE1-CE1 3.5Å; F1182-Y1261 HydrophobicContact CE1-CE1 3.5Å; F1182-Y1261 VanDerWaalsContact CE1-CE1 3.5Å; F1182-Y1261 HydrophobicContact CE1-CG 4.18Å; F1182-Y1261 AromaticContact CZ-CD1 3.48Å; F1182-Y1261 HydrophobicContact CZ-CD1 3.48Å; F1182-Y1261 VanDerWaalsContact CZ-CD1 3.48Å; F1182-Y1261 AromaticContact CZ-CE1 3.99Å; F1182-Y1261 HydrophobicContact CZ-CE1 3.99Å; F1182-Y1261 HydrophobicContact CZ-CG 4.1Å; F1186-Y1261 HydrophobicContact CB-CE1 4.11Å; F1186-Y1261 HydrophobicContact CD1-CD1 4.47Å; F1186-Y1261 AromaticContact CD1-CE1 3.82Å; F1186-Y1261 HydrophobicContact CD1-CE1 3.82Å; F1186-Y1261 AromaticContact CD2-CD1 3.64Å; F1186-Y1261 HydrophobicContact CD2-CD1 3.64Å; F1186-Y1261 AromaticContact CD2-CE1 3.8Å; F1186-Y1261 HydrophobicContact CD2-CE1 3.8Å; F1186-Y1261 HydrophobicContact CE1-CE1 4.16Å; F1186-Y1261 AromaticContact CE2-CD1 3.88Å; F1186-Y1261 HydrophobicContact CE2-CD1 3.88Å; F1186-Y1261 HydrophobicContact CE2-CE1 4.15Å; F1186-Y1261 AromaticContact CG-CD1 3.97Å; F1186-Y1261 HydrophobicContact CG-CD1 3.97Å; F1186-Y1261 AromaticContact CG-CE1 3.63Å; F1186-Y1261 HydrophobicContact CG-CE1 3.63Å; F1186-Y1261 HydrophobicContact CZ-CD1 4.39Å; F1186-Y1261 HydrophobicContact CZ-CE1 4.32Å; L1235-Y1261 HydrophobicContact CD1-CG 4.26Å; L1235-Y1261 HydrophobicContact CD2-CD2 4.45Å; N1255-Y1261 WeakPolarHBondContact ND2-CD2 3.33Å; N1257-Y1261 HydrophobicContact CB-CD2 3.94Å; N1257-Y1261 HydrophobicContact CB-CE2 3.7Å; N1257-Y1261 WeakPolarHBondContact O-CD2 3.3Å; N1257-Y1261 PolarHBondContact O-N 2.89Å; H1258-Y1261 PolarHBondContact O-N 3.03Å; Y1261-Q1263 PolarHBondContact O-N 3.31Å; Y1261-F1264 PolarHBondContact O-N 2.76Å; Y1261-I1265 WeakPolarHBondContact O-CB 3.31Å; Y1261-I1265 VanDerWaalsContact O-CD1 3.31Å; Y1261-I1265 WeakPolarHBondContact O-CD1 3.37Å; Y1261-I1265 WeakPolarHBondContact O-CG1 3.15Å; Y1261-I1265 PolarHBondContact O-N 2.94Å |
| 1262 | F | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.2 | -42.2 | 174.7 | -74.6 | -61.3 | 0 | 0 | 0 | 112 | L1235 F1236 I1248 H1258 L1259 E1260 I1265 G1266 Q1377 A1380 F1381 | L1235-F1262 HydrophobicContact CB-CE1 4.06Å; L1235-F1262 HydrophobicContact CB-CZ 3.98Å; L1235-F1262 HydrophobicContact CD2-CE2 4.14Å; L1235-F1262 HydrophobicContact CD2-CZ 4.14Å; L1235-F1262 VanDerWaalsContact O-CZ 3.27Å; L1235-F1262 WeakPolarHBondContact O-CZ 3.34Å; F1236-F1262 HydrophobicContact CE1-CE1 4.38Å; F1236-F1262 HydrophobicContact CE2-CD1 4.42Å; F1236-F1262 HydrophobicContact CE2-CE1 4.03Å; F1236-F1262 HydrophobicContact CZ-CD1 4.21Å; F1236-F1262 AromaticContact CZ-CE1 3.93Å; F1236-F1262 HydrophobicContact CZ-CE1 3.93Å; I1248-F1262 HydrophobicContact CD1-CD1 4.35Å; I1248-F1262 HydrophobicContact CD1-CE1 4.14Å; I1248-F1262 HydrophobicContact CG1-CE1 3.94Å; I1248-F1262 HydrophobicContact CG1-CZ 4.47Å; I1248-F1262 HydrophobicContact CG2-CE1 4.13Å; I1248-F1262 HydrophobicContact CG2-CZ 3.79Å; H1258-F1262 HydrophobicContact CB-CD2 4.36Å; H1258-F1262 HydrophobicContact CB-CE2 4.02Å; H1258-F1262 AromaticContact ND1-CE2 3.91Å; H1258-F1262 WeakPolarHBondContact O-CD2 3.24Å; H1258-F1262 WeakPolarHBondContact O-CG 3.32Å; H1258-F1262 PolarHBondContact O-N 2.84Å; L1259-F1262 PolarHBondContact O-N 3.36Å; E1260-F1262 PolarHBondContact O-N 3.32Å; F1262-I1265 PolarHBondContact O-N 3.37Å; F1262-G1266 PolarHBondContact O-N 2.89Å; F1262-Q1377 HydrophobicContact CD2-CB 3.54Å; F1262-Q1377 HydrophobicContact CD2-CG 3.79Å; F1262-Q1377 HydrophobicContact CE1-CB 4.49Å; F1262-Q1377 HydrophobicContact CE2-CB 3.48Å; F1262-Q1377 VanDerWaalsContact CE2-CB 3.48Å; F1262-Q1377 HydrophobicContact CE2-CG 3.36Å; F1262-Q1377 HydrophobicContact CG-CB 4.14Å; F1262-Q1377 HydrophobicContact CZ-CB 3.98Å; F1262-Q1377 HydrophobicContact CZ-CG 4.06Å; F1262-A1380 HydrophobicContact CB-CB 4.05Å; F1262-F1381 HydrophobicContact CB-CB 4.3Å; F1262-F1381 WeakPolarHBondContact O-CA 3.4Å |
| 1263 | Q | 96 | Very high | 94 | Very high | 37 Ų | 37 | 37.7 Ų | 37.7 | 17% | 0.173 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.8 | -43.4 | 175.2 | -169 | -179.3 | -22.8 | 0 | 0 | 111.8 | L1259 E1260 Y1261 I1265 G1266 R1267 A1380 G1384 E1387 | L1259-Q1263 PolarHBondContact O-N 2.84Å; E1260-Q1263 PolarHBondContact O-N 3.27Å; Y1261-Q1263 PolarHBondContact O-N 3.31Å; Q1263-I1265 PolarHBondContact O-N 2.91Å; Q1263-G1266 PolarHBondContact O-N 2.88Å; Q1263-R1267 PolarHBondContact O-N 2.91Å; Q1263-A1380 VanDerWaalsContact CA-O 3.29Å; Q1263-A1380 WeakPolarHBondContact CA-O 3.42Å; Q1263-A1380 HydrophobicContact CB-CB 4.48Å; Q1263-A1380 WeakPolarHBondContact CB-O 3.34Å; Q1263-G1384 WeakPolarHBondContact O-CA 3.39Å; Q1263-E1387 VanDerWaalsContact NE2-CD 3.27Å; Q1263-E1387 PolarHBondContact NE2-OE1 2.83Å; Q1263-E1387 PolarHBondContact NE2-OE2 2.92Å |
| 1264 | F | 95.6 | Very high | 93.9 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.5 | -44.1 | 174.1 | 167.4 | -112.2 | 0 | 0 | 0 | 112.4 | F1182 F1186 L1189 W1197 I1224 E1260 Y1261 R1267 L1268 | F1182-F1264 HydrophobicContact CD2-CE1 4.16Å; F1182-F1264 HydrophobicContact CE2-CD1 4.09Å; F1182-F1264 AromaticContact CE2-CE1 3.85Å; F1182-F1264 HydrophobicContact CE2-CE1 3.85Å; F1182-F1264 HydrophobicContact CZ-CD1 4.47Å; F1186-F1264 HydrophobicContact CB-CD1 4.24Å; F1186-F1264 HydrophobicContact CB-CE1 4.17Å; F1186-F1264 HydrophobicContact CB-CZ 4.47Å; F1186-F1264 HydrophobicContact CD2-CB 3.69Å; F1186-F1264 AromaticContact CD2-CD1 3.83Å; F1186-F1264 HydrophobicContact CD2-CD1 3.83Å; F1186-F1264 HydrophobicContact CD2-CD2 4.32Å; F1186-F1264 AromaticContact CD2-CG 3.68Å; F1186-F1264 HydrophobicContact CD2-CG 3.68Å; F1186-F1264 HydrophobicContact CE2-CB 3.96Å; F1186-F1264 HydrophobicContact CE2-CG 4.44Å; L1189-F1264 HydrophobicContact CB-CE2 3.97Å; L1189-F1264 HydrophobicContact CD1-CE2 4.14Å; W1197-F1264 AromaticContact CH2-CD2 3.83Å; W1197-F1264 HydrophobicContact CH2-CD2 3.83Å; W1197-F1264 AromaticContact CH2-CE2 3.73Å; W1197-F1264 HydrophobicContact CH2-CE2 3.73Å; W1197-F1264 AromaticContact CZ2-CD2 3.9Å; W1197-F1264 HydrophobicContact CZ2-CD2 3.9Å; W1197-F1264 HydrophobicContact CZ2-CE2 4.06Å; I1224-F1264 HydrophobicContact CD1-CE1 4.34Å; I1224-F1264 HydrophobicContact CD1-CZ 4.08Å; E1260-F1264 WeakPolarHBondContact O-CB 3.29Å; E1260-F1264 PolarHBondContact O-N 3.32Å; Y1261-F1264 PolarHBondContact O-N 2.76Å; F1264-R1267 WeakPolarHBondContact O-CB 3.48Å; F1264-R1267 PolarHBondContact O-N 3.31Å; F1264-L1268 HydrophobicContact CE1-CD2 4.14Å; F1264-L1268 HydrophobicContact CZ-CD2 4.12Å; F1264-L1268 WeakPolarHBondContact O-CB 3.3Å; F1264-L1268 PolarHBondContact O-N 3.37Å |
| 1265 | I | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.5 | -36.7 | 179.5 | -67.9 | 161.1 | 0 | 0 | 0 | 111.2 | F1182 I1228 L1235 F1236 Y1261 F1262 Q1263 L1268 I1269 F1381 | F1182-I1265 HydrophobicContact CE2-CD1 4Å; F1182-I1265 HydrophobicContact CE2-CG1 4.03Å; F1182-I1265 HydrophobicContact CZ-CD1 4Å; F1182-I1265 HydrophobicContact CZ-CG1 4.41Å; I1228-I1265 HydrophobicContact CD1-CG1 4.36Å; I1228-I1265 HydrophobicContact CD1-CG2 4.25Å; I1228-I1265 HydrophobicContact CG1-CD1 4.3Å; I1228-I1265 HydrophobicContact CG1-CG1 4.1Å; I1228-I1265 HydrophobicContact CG2-CD1 4.01Å; I1228-I1265 HydrophobicContact CG2-CG1 4.39Å; I1228-I1265 HydrophobicContact CG2-CG2 4.03Å; L1235-I1265 HydrophobicContact CD1-CD1 3.53Å; F1236-I1265 HydrophobicContact CE2-CD1 4.23Å; F1236-I1265 HydrophobicContact CE2-CG2 4.26Å; F1236-I1265 HydrophobicContact CZ-CG2 4.45Å; Y1261-I1265 WeakPolarHBondContact O-CB 3.31Å; Y1261-I1265 VanDerWaalsContact O-CD1 3.31Å; Y1261-I1265 WeakPolarHBondContact O-CD1 3.37Å; Y1261-I1265 WeakPolarHBondContact O-CG1 3.15Å; Y1261-I1265 PolarHBondContact O-N 2.94Å; F1262-I1265 PolarHBondContact O-N 3.37Å; Q1263-I1265 PolarHBondContact O-N 2.91Å; I1265-L1268 PolarHBondContact O-N 3.09Å; I1265-I1269 HydrophobicContact CG2-CD1 3.91Å; I1265-I1269 HydrophobicContact CG2-CG1 4.42Å; I1265-I1269 WeakPolarHBondContact O-CG1 3.25Å; I1265-I1269 PolarHBondContact O-N 2.95Å; I1265-F1381 HydrophobicContact CG2-CD2 4.31Å; I1265-F1381 HydrophobicContact CG2-CE2 3.99Å |
| 1266 | G | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.5 | -48.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112 | F1262 Q1263 A1270 F1381 F1385 | F1262-G1266 PolarHBondContact O-N 2.89Å; Q1263-G1266 PolarHBondContact O-N 2.88Å; G1266-A1270 WeakPolarHBondContact O-CB 3.31Å; G1266-A1270 PolarHBondContact O-N 3.01Å; G1266-A1270 VanDerWaalsContact O-N 3.11Å; G1266-F1381 WeakPolarHBondContact CA-O 3.44Å; G1266-F1385 WeakPolarHBondContact O-CA 3.47Å |
| 1267 | R | 95.1 | Very high | 93.6 | Very high | 28 Ų | 28 | 27 Ų | 27 | 11% | 0.106 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.9 | -46.7 | 173.4 | -71 | -176.8 | -179.6 | -171.8 | -1.8 | 111.9 | L1192 W1197 Q1263 F1264 I1269 A1270 K1271 G1384 E1387 I1388 | L1192-R1267 PolarHBondContact O-NH1 3.32Å; W1197-R1267 HydrophobicContact CD2-CB 4.1Å; W1197-R1267 HydrophobicContact CE3-CB 3.92Å; W1197-R1267 HydrophobicContact CH2-CB 3.62Å; W1197-R1267 HydrophobicContact CZ2-CB 3.82Å; W1197-R1267 HydrophobicContact CZ2-CG 4.47Å; W1197-R1267 HydrophobicContact CZ3-CB 3.7Å; Q1263-R1267 PolarHBondContact O-N 2.91Å; F1264-R1267 WeakPolarHBondContact O-CB 3.48Å; F1264-R1267 PolarHBondContact O-N 3.31Å; R1267-I1269 PolarHBondContact O-N 2.98Å; R1267-A1270 CarbonylContact O-C 3.59Å; R1267-A1270 PolarHBondContact O-N 2.75Å; R1267-K1271 VanDerWaalsContact O-CB 3.31Å; R1267-K1271 WeakPolarHBondContact O-CB 3.39Å; R1267-K1271 PolarHBondContact O-N 3.3Å; R1267-G1384 WeakPolarHBondContact CA-O 3.24Å; R1267-G1384 VanDerWaalsContact CG-O 3.22Å; R1267-G1384 WeakPolarHBondContact CG-O 3.28Å; R1267-G1384 PolarHBondContact N-O 3.42Å; R1267-E1387 IonicContact CZ-OE2 2.66Å; R1267-E1387 IonicContact NE-OE2 3.48Å; R1267-E1387 PolarHBondContact NE-OE2 3.13Å; R1267-E1387 IonicContact NH2-OE1 3.32Å; R1267-E1387 IonicContact NH2-OE2 2.75Å; R1267-E1387 PolarHBondContact NH2-OE2 2.94Å; R1267-I1388 HydrophobicContact CB-CD1 3.86Å; R1267-I1388 HydrophobicContact CG-CD1 4.21Å; R1267-I1388 WeakPolarHBondContact O-CD1 3.39Å |
| 1268 | L | 94.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.1 | -42.5 | -177.3 | -177.6 | 61.8 | 0 | 0 | 0 | 113 | W1220 F1221 I1224 I1228 F1264 I1265 K1271 A1272 | W1220-L1268 HydrophobicContact CH2-CD1 3.36Å; W1220-L1268 HydrophobicContact CZ2-CD1 4.17Å; W1220-L1268 HydrophobicContact CZ3-CD1 3.76Å; F1221-L1268 HydrophobicContact CD1-CD1 4.37Å; F1221-L1268 HydrophobicContact CE1-CD1 3.97Å; I1224-L1268 HydrophobicContact CD1-CD1 4.47Å; I1224-L1268 HydrophobicContact CD1-CD2 3.69Å; I1224-L1268 HydrophobicContact CG1-CD2 4.02Å; I1224-L1268 HydrophobicContact CG2-CD1 4.49Å; I1224-L1268 HydrophobicContact CG2-CD2 4.01Å; I1228-L1268 HydrophobicContact CD1-CD2 3.63Å; F1264-L1268 HydrophobicContact CE1-CD2 4.14Å; F1264-L1268 HydrophobicContact CZ-CD2 4.12Å; F1264-L1268 WeakPolarHBondContact O-CB 3.3Å; F1264-L1268 PolarHBondContact O-N 3.37Å; I1265-L1268 PolarHBondContact O-N 3.09Å; L1268-K1271 PolarHBondContact O-N 2.71Å; L1268-A1272 PolarHBondContact O-N 2.85Å |
| 1269 | I | 95.7 | Very high | 93.4 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -72.5 | -38.5 | 177.2 | -63.3 | 173.8 | 0 | 0 | 0 | 110.8 | I1265 R1267 K1271 A1272 V1273 L1279 F1283 F1381 F1385 I1406 | I1265-I1269 HydrophobicContact CG2-CD1 3.91Å; I1265-I1269 HydrophobicContact CG2-CG1 4.42Å; I1265-I1269 WeakPolarHBondContact O-CG1 3.25Å; I1265-I1269 PolarHBondContact O-N 2.95Å; R1267-I1269 PolarHBondContact O-N 2.98Å; I1269-K1271 VanDerWaalsContact C-N 3.31Å; I1269-K1271 PolarHBondContact O-N 3.17Å; I1269-A1272 PolarHBondContact O-N 2.94Å; I1269-V1273 WeakPolarHBondContact O-CG2 3.12Å; I1269-V1273 PolarHBondContact O-N 3.1Å; I1269-V1273 VanDerWaalsContact O-N 3.09Å; I1269-L1279 HydrophobicContact CB-CD1 4.34Å; I1269-L1279 HydrophobicContact CG1-CD1 3.88Å; I1269-L1279 HydrophobicContact CG2-CD1 4.39Å; I1269-F1283 HydrophobicContact CD1-CE2 3.85Å; I1269-F1283 HydrophobicContact CD1-CZ 3.61Å; I1269-F1381 HydrophobicContact CD1-CE2 3.88Å; I1269-F1381 HydrophobicContact CD1-CZ 3.99Å; I1269-F1385 HydrophobicContact CG2-CE2 4.22Å; I1269-I1406 HydrophobicContact CG2-CD1 4.13Å; I1269-I1406 HydrophobicContact CG2-CG1 4.27Å; I1269-I1406 HydrophobicContact CG2-CG2 4.06Å |
| 1270 | A | 94.3 | Very high | 93 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.3 | -35.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G1266 R1267 V1273 F1274 F1385 I1388 I1389 | G1266-A1270 WeakPolarHBondContact O-CB 3.31Å; G1266-A1270 PolarHBondContact O-N 3.01Å; G1266-A1270 VanDerWaalsContact O-N 3.11Å; R1267-A1270 CarbonylContact O-C 3.59Å; R1267-A1270 PolarHBondContact O-N 2.75Å; A1270-V1273 PolarHBondContact O-N 2.76Å; A1270-F1274 WeakPolarHBondContact O-CB 3.21Å; A1270-F1274 PolarHBondContact O-N 2.84Å; A1270-F1385 HydrophobicContact CB-CD2 3.81Å; A1270-F1385 HydrophobicContact CB-CE2 4.09Å; A1270-F1385 HydrophobicContact CB-CG 4.09Å; A1270-I1388 HydrophobicContact CB-CB 3.87Å; A1270-I1388 HydrophobicContact CB-CD1 4.4Å; A1270-I1388 HydrophobicContact CB-CG2 4.21Å; A1270-I1389 HydrophobicContact CB-CD1 3.88Å; A1270-I1389 HydrophobicContact CB-CG1 4.07Å; A1270-I1389 WeakPolarHBondContact O-CD1 3.38Å |
| 1271 | K | 92.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68 | -38.5 | 174 | -178 | 47.4 | 165.3 | 168.9 | 0 | 112.3 | W1197 G1199 F1201 F1221 R1267 L1268 I1269 V1273 F1274 D1275 I1388 | W1197-K1271 HydrophobicContact CE3-CB 3.88Å; W1197-K1271 HydrophobicContact CE3-CG 4.08Å; W1197-K1271 HydrophobicContact CZ3-CB 3.94Å; W1197-K1271 HydrophobicContact CZ3-CG 4.27Å; W1197-K1271 VanDerWaalsContact O-CD 3.23Å; W1197-K1271 WeakPolarHBondContact O-CD 3.48Å; W1197-K1271 WeakPolarHBondContact O-CE 3.49Å; W1197-K1271 PolarHBondContact O-NZ 3.43Å; G1199-K1271 PolarHBondContact O-NZ 3.12Å; F1201-K1271 HydrophobicContact CD2-CG 4.31Å; F1201-K1271 HydrophobicContact CE2-CD 4.43Å; F1201-K1271 HydrophobicContact CE2-CG 3.84Å; F1201-K1271 HydrophobicContact CZ-CG 4.28Å; F1221-K1271 HydrophobicContact CZ-CG 4.33Å; R1267-K1271 VanDerWaalsContact O-CB 3.31Å; R1267-K1271 WeakPolarHBondContact O-CB 3.39Å; R1267-K1271 PolarHBondContact O-N 3.3Å; L1268-K1271 PolarHBondContact O-N 2.71Å; I1269-K1271 VanDerWaalsContact C-N 3.31Å; I1269-K1271 PolarHBondContact O-N 3.17Å; K1271-V1273 PolarHBondContact O-N 3.24Å; K1271-F1274 HydrophobicContact CD-CB 4.44Å; K1271-F1274 HydrophobicContact CD-CD1 4.44Å; K1271-F1274 HydrophobicContact CD-CG 4.49Å; K1271-F1274 WeakPolarHBondContact O-CB 3.26Å; K1271-F1274 PolarHBondContact O-N 2.71Å; K1271-D1275 VanDerWaalsContact CD-OD2 3.3Å; K1271-D1275 WeakPolarHBondContact CD-OD2 3.38Å; K1271-D1275 WeakPolarHBondContact CE-OD1 3.27Å; K1271-D1275 WeakPolarHBondContact CE-OD2 3.31Å; K1271-D1275 IonicContact NZ-OD1 2.97Å; K1271-D1275 PolarHBondContact NZ-OD1 2.96Å; K1271-D1275 IonicContact NZ-OD2 3.49Å; K1271-D1275 PolarHBondContact NZ-OD2 3.35Å; K1271-D1275 WeakPolarHBondContact O-CB 3.23Å; K1271-D1275 PolarHBondContact O-N 3.12Å; K1271-I1388 HydrophobicContact CB-CD1 4.23Å |
| 1272 | A | 93.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.008 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.4 | -43.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1221 L1268 I1269 D1275 N1276 K1277 L1279 | F1221-A1272 HydrophobicContact CD1-CB 4.08Å; F1221-A1272 HydrophobicContact CE1-CB 3.66Å; F1221-A1272 HydrophobicContact CZ-CB 4.14Å; L1268-A1272 PolarHBondContact O-N 2.85Å; I1269-A1272 PolarHBondContact O-N 2.94Å; A1272-D1275 PolarHBondContact O-N 2.93Å; A1272-N1276 WeakPolarHBondContact O-CA 3.3Å; A1272-N1276 PolarHBondContact O-N 3.34Å; A1272-K1277 CarbonylContact C-O 3.51Å; A1272-K1277 PolarHBondContact O-N 3.41Å; A1272-K1277 VanDerWaalsContact O-O 3.14Å; A1272-L1279 HydrophobicContact CB-CD1 3.59Å; A1272-L1279 HydrophobicContact CB-CD2 3.64Å; A1272-L1279 HydrophobicContact CB-CG 3.58Å |
| 1273 | V | 92.5 | Very high | 92.3 | Very high | 11 Ų | 11 | 24.1 Ų | 24.1 | 7% | 0.067 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.3 | -36.1 | 176 | 172.5 | 0 | 0 | 0 | 0 | 112.1 | F1153 I1269 A1270 K1271 N1276 I1389 L1405 I1406 | F1153-V1273 HydrophobicContact CE1-CG1 3.92Å; F1153-V1273 HydrophobicContact CZ-CG1 4.01Å; I1269-V1273 WeakPolarHBondContact O-CG2 3.12Å; I1269-V1273 PolarHBondContact O-N 3.1Å; I1269-V1273 VanDerWaalsContact O-N 3.09Å; A1270-V1273 PolarHBondContact O-N 2.76Å; K1271-V1273 PolarHBondContact O-N 3.24Å; V1273-N1276 PolarHBondContact O-N 3.04Å; V1273-I1389 HydrophobicContact CB-CD1 3.73Å; V1273-I1389 HydrophobicContact CG1-CD1 3.57Å; V1273-L1405 HydrophobicContact CG1-CD2 3.8Å; V1273-L1405 HydrophobicContact CG1-CG 4.01Å; V1273-I1406 HydrophobicContact CG2-CB 4.45Å; V1273-I1406 HydrophobicContact CG2-CG1 3.6Å |
| 1274 | F | 88.3 | Confident | 92.1 | Very high | 49 Ų | 49 | 22.5 Ų | 22.5 | 22% | 0.215 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.3 | -58.4 | 171 | 179.4 | -63.2 | 0 | 0 | 0 | 111 | Y1157 T1161 K1198 A1270 K1271 N1276 I1388 | Y1157-F1274 HydrophobicContact CD1-CD2 4.27Å; Y1157-F1274 HydrophobicContact CD1-CE2 4.24Å; Y1157-F1274 AromaticContact CE1-CD2 3.36Å; Y1157-F1274 HydrophobicContact CE1-CD2 3.36Å; Y1157-F1274 AromaticContact CE1-CE2 3.22Å; Y1157-F1274 HydrophobicContact CE1-CE2 3.22Å; Y1157-F1274 HydrophobicContact CE1-CG 4.37Å; Y1157-F1274 HydrophobicContact CE1-CZ 4.13Å; Y1157-F1274 HydrophobicContact CE2-CD2 4.45Å; Y1157-F1274 AromaticContact CZ-CD2 3.49Å; Y1157-F1274 VanDerWaalsContact CZ-CD2 3.49Å; Y1157-F1274 AromaticContact CZ-CE2 3.66Å; Y1157-F1274 WeakPolarHBondContact OH-CD2 3.19Å; Y1157-F1274 WeakPolarHBondContact OH-CE2 3.21Å; T1161-F1274 HydrophobicContact CG2-CE2 4.04Å; T1161-F1274 HydrophobicContact CG2-CZ 4.1Å; K1198-F1274 HydrophobicContact CB-CE2 3.5Å; K1198-F1274 VanDerWaalsContact CB-CE2 3.5Å; K1198-F1274 HydrophobicContact CB-CZ 3.58Å; K1198-F1274 HydrophobicContact CD-CE2 4.2Å; K1198-F1274 HydrophobicContact CG-CD2 4.45Å; K1198-F1274 HydrophobicContact CG-CE2 3.61Å; K1198-F1274 HydrophobicContact CG-CZ 4.23Å; K1198-F1274 WeakPolarHBondContact O-CE1 3.37Å; K1198-F1274 WeakPolarHBondContact O-CZ 3.42Å; A1270-F1274 WeakPolarHBondContact O-CB 3.21Å; A1270-F1274 PolarHBondContact O-N 2.84Å; K1271-F1274 HydrophobicContact CD-CB 4.44Å; K1271-F1274 HydrophobicContact CD-CD1 4.44Å; K1271-F1274 HydrophobicContact CD-CG 4.49Å; K1271-F1274 WeakPolarHBondContact O-CB 3.26Å; K1271-F1274 PolarHBondContact O-N 2.71Å; F1274-N1276 PolarHBondContact O-N 2.79Å; F1274-I1388 HydrophobicContact CB-CG2 4.44Å; F1274-I1388 HydrophobicContact CD2-CG2 3.95Å |
| 1275 | D | 86.7 | Confident | 91.7 | Very high | 33 Ų | 33 | 25.6 Ų | 25.6 | 18% | 0.176 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 0.3 | -177.4 | -68.2 | -21.3 | 0 | 0 | 0 | 112.7 | K1271 A1272 K1277 | K1271-D1275 VanDerWaalsContact CD-OD2 3.3Å; K1271-D1275 WeakPolarHBondContact CD-OD2 3.38Å; K1271-D1275 WeakPolarHBondContact CE-OD1 3.27Å; K1271-D1275 WeakPolarHBondContact CE-OD2 3.31Å; K1271-D1275 IonicContact NZ-OD1 2.97Å; K1271-D1275 PolarHBondContact NZ-OD1 2.96Å; K1271-D1275 IonicContact NZ-OD2 3.49Å; K1271-D1275 PolarHBondContact NZ-OD2 3.35Å; K1271-D1275 WeakPolarHBondContact O-CB 3.23Å; K1271-D1275 PolarHBondContact O-N 3.12Å; A1272-D1275 PolarHBondContact O-N 2.93Å; D1275-K1277 HydrophobicContact CB-CD 4.49Å; D1275-K1277 HydrophobicContact CB-CG 3.83Å; D1275-K1277 WeakPolarHBondContact O-CD 3.3Å; D1275-K1277 WeakPolarHBondContact O-CE 3.41Å; D1275-K1277 PolarHBondContact O-N 3.06Å |
| 1276 | N | 88.6 | Confident | 91.4 | Very high | 56 Ų | 56 | 25.8 Ų | 25.8 | 30% | 0.299 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 41.8 | -175.4 | -174.9 | 82.4 | 0 | 0 | 0 | 112.2 | R1150 R1154 A1272 V1273 F1274 | R1150-N1276 PolarHBondContact NH2-OD1 3.12Å; R1154-N1276 PolarHBondContact NE-OD1 2.82Å; R1154-N1276 PolarHBondContact NH2-ND2 3.16Å; R1154-N1276 VanDerWaalsContact NH2-ND2 3.15Å; R1154-N1276 PolarHBondContact NH2-OD1 3.19Å; A1272-N1276 WeakPolarHBondContact O-CA 3.3Å; A1272-N1276 PolarHBondContact O-N 3.34Å; V1273-N1276 PolarHBondContact O-N 3.04Å; F1274-N1276 PolarHBondContact O-N 2.79Å |
| 1277 | K | 89 | Confident | 91.2 | Very high | 64 Ų | 64 | 26 Ų | 26 | 28% | 0.278 | 12% | 0.118 | S | C | . | . | trans | -99.5 | 134.2 | 170.3 | -46.6 | -55.4 | 177.9 | -175.6 | 0 | 108.4 | F1221 A1272 D1275 | F1221-K1277 HydrophobicContact CD2-CB 3.91Å; F1221-K1277 HydrophobicContact CD2-CG 3.74Å; F1221-K1277 HydrophobicContact CE2-CB 4.09Å; F1221-K1277 HydrophobicContact CE2-CG 3.64Å; F1221-K1277 HydrophobicContact CG-CB 4.46Å; A1272-K1277 CarbonylContact C-O 3.51Å; A1272-K1277 PolarHBondContact O-N 3.41Å; A1272-K1277 VanDerWaalsContact O-O 3.14Å; D1275-K1277 HydrophobicContact CB-CD 4.49Å; D1275-K1277 HydrophobicContact CB-CG 3.83Å; D1275-K1277 WeakPolarHBondContact O-CD 3.3Å; D1275-K1277 WeakPolarHBondContact O-CE 3.41Å; D1275-K1277 PolarHBondContact O-N 3.06Å | ||
| 1278 | Y | 89.9 | Confident | 91.2 | Very high | 114 Ų | 114 | 24.8 Ų | 24.8 | 45% | 0.447 | 11% | 0.113 | S | C | . | . | trans | -82.7 | 147.2 | 174.1 | -53.1 | -58.6 | 0 | 0 | 0 | 110.5 | R1150 I1406 G1408 | R1150-Y1278 PolarHBondContact NH1-OH 2.91Å; R1150-Y1278 VanDerWaalsContact NH2-CE1 3.25Å; R1150-Y1278 PolarHBondContact NH2-OH 2.77Å; Y1278-I1406 CarbonylContact C-O 3.56Å; Y1278-I1406 VanDerWaalsContact CA-O 3.27Å; Y1278-I1406 WeakPolarHBondContact CA-O 3.18Å; Y1278-G1408 VanDerWaalsContact CE1-CA 3.47Å | ||
| 1279 | L | 92 | Very high | 91 | Very high | 5 Ų | 5 | 24.9 Ų | 24.9 | 3% | 0.026 | 11% | 0.114 | C | C | . | . | trans | -116.6 | 138.7 | 176.5 | -56.3 | -175.3 | 0 | 0 | 0 | 110.2 | F1221 T1225 I1269 A1272 C1281 I1406 S1407 | F1221-L1279 HydrophobicContact CB-CD2 3.82Å; F1221-L1279 HydrophobicContact CD1-CD2 3.61Å; F1221-L1279 HydrophobicContact CE1-CD2 4.46Å; F1221-L1279 HydrophobicContact CG-CD2 3.99Å; T1225-L1279 HydrophobicContact CG2-CB 4.27Å; I1269-L1279 HydrophobicContact CB-CD1 4.34Å; I1269-L1279 HydrophobicContact CG1-CD1 3.88Å; I1269-L1279 HydrophobicContact CG2-CD1 4.39Å; A1272-L1279 HydrophobicContact CB-CD1 3.59Å; A1272-L1279 HydrophobicContact CB-CD2 3.64Å; A1272-L1279 HydrophobicContact CB-CG 3.58Å; L1279-C1281 HydrophobicContact CB-CB 4.47Å; L1279-C1281 VanDerWaalsContact CB-SG 3.54Å; L1279-C1281 PolarHBondContact O-N 2.91Å; L1279-I1406 HydrophobicContact CB-CG2 4.45Å; L1279-I1406 PolarHBondContact N-O 3.09Å; L1279-S1407 WeakPolarHBondContact O-CA 3.45Å | ||
| 1280 | D | 87.8 | Confident | 90.9 | Very high | 76 Ų | 76 | 25.7 Ų | 25.7 | 41% | 0.406 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -77.3 | 44.4 | 174 | -164.6 | 46.4 | 0 | 0 | 0 | 111.9 | Y1282 R1460 | D1280-Y1282 WeakPolarHBondContact OD1-CE2 3.26Å; D1280-Y1282 PolarHBondContact OD1-OH 3.27Å; D1280-R1460 IonicContact OD1-NE 3.38Å; D1280-R1460 IonicContact OD1-NH2 2.82Å; D1280-R1460 IonicContact OD2-CZ 2.95Å; D1280-R1460 IonicContact OD2-NH2 2.81Å; D1280-R1460 PolarHBondContact OD2-NH2 3.29Å |
| 1281 | C | 89.4 | Confident | 91 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.014 | 12% | 0.118 | C | C | . | . | trans | -106.5 | 133.1 | 174.2 | 62.4 | 0 | 0 | 0 | 0 | 110.7 | T1225 F1229 L1279 F1283 I1406 S1407 | T1225-C1281 HydrophobicContact CG2-CB 3.88Å; F1229-C1281 HydrophobicContact CE2-CB 3.49Å; F1229-C1281 VanDerWaalsContact CE2-CB 3.49Å; F1229-C1281 HydrophobicContact CZ-CB 3.6Å; L1279-C1281 HydrophobicContact CB-CB 4.47Å; L1279-C1281 VanDerWaalsContact CB-SG 3.54Å; L1279-C1281 PolarHBondContact O-N 2.91Å; C1281-F1283 HydrophobicContact CB-CE2 3.94Å; C1281-F1283 HydrophobicContact CB-CZ 4.14Å; C1281-I1406 WeakPolarHBondContact SG-CG2 3.15Å; C1281-S1407 PolarHBondContact O-OG 2.82Å | ||
| 1282 | Y | 91.6 | Very high | 90.9 | Very high | 22 Ų | 22 | 26.3 Ų | 26.3 | 9% | 0.086 | 12% | 0.121 | C | C | . | . | trans | -131.5 | 117.2 | 174.5 | -50.8 | -88.2 | 0 | 0 | 0 | 107.7 | T1245 Y1246 D1280 E1403 T1458 R1460 | T1245-Y1282 CarbonylContact C-O 3.57Å; T1245-Y1282 WeakPolarHBondContact CA-O 3.23Å; Y1246-Y1282 PolarHBondContact N-O 2.93Å; D1280-Y1282 WeakPolarHBondContact OD1-CE2 3.26Å; D1280-Y1282 PolarHBondContact OD1-OH 3.27Å; Y1282-E1403 HydrophobicContact CD1-CG 4.36Å; Y1282-E1403 WeakPolarHBondContact CD1-OE1 3.48Å; Y1282-T1458 VanDerWaalsContact CD1-OG1 3.28Å; Y1282-T1458 WeakPolarHBondContact CD1-OG1 3.4Å; Y1282-R1460 HydrophobicContact CD1-CB 4.03Å; Y1282-R1460 HydrophobicContact CD2-CB 4.1Å; Y1282-R1460 HydrophobicContact CD2-CG 4.06Å; Y1282-R1460 HydrophobicContact CE1-CB 3.78Å; Y1282-R1460 HydrophobicContact CE1-CG 4.21Å; Y1282-R1460 HydrophobicContact CE2-CB 3.9Å; Y1282-R1460 HydrophobicContact CE2-CG 3.54Å; Y1282-R1460 VanDerWaalsContact CE2-NE 3.27Å; Y1282-R1460 HydrophobicContact CG-CB 4.17Å | ||
| 1283 | F | 93.2 | Very high | 90.7 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.009 | 14% | 0.143 | C | C | . | . | B | Isolated β-bridge | trans | -98.5 | 166.3 | 179.2 | -59.6 | -80.2 | 0 | 0 | 0 | 110.7 | F1229 F1236 Y1246 I1269 C1281 F1287 Y1288 | F1229-F1283 HydrophobicContact CE1-CD1 4.49Å; F1229-F1283 AromaticContact CE1-CE1 3.76Å; F1229-F1283 HydrophobicContact CE1-CE1 3.76Å; F1229-F1283 HydrophobicContact CE1-CZ 4.26Å; F1229-F1283 AromaticContact CZ-CE1 3.75Å; F1229-F1283 HydrophobicContact CZ-CE1 3.75Å; F1229-F1283 AromaticContact CZ-CZ 3.8Å; F1229-F1283 HydrophobicContact CZ-CZ 3.8Å; F1236-F1283 HydrophobicContact CD1-CD1 4.45Å; F1236-F1283 HydrophobicContact CD1-CE1 4.09Å; F1236-F1283 HydrophobicContact CE1-CD1 4.11Å; F1236-F1283 AromaticContact CE1-CE1 3.59Å; F1236-F1283 HydrophobicContact CE1-CE1 3.59Å; F1236-F1283 AromaticContact CZ-CE1 3.94Å; F1236-F1283 HydrophobicContact CZ-CE1 3.94Å; Y1246-F1283 CarbonylContact O-C 3.2Å; Y1246-F1283 VanDerWaalsContact O-CA 3.28Å; Y1246-F1283 WeakPolarHBondContact O-CA 3.48Å; I1269-F1283 HydrophobicContact CD1-CE2 3.85Å; I1269-F1283 HydrophobicContact CD1-CZ 3.61Å; C1281-F1283 HydrophobicContact CB-CE2 3.94Å; C1281-F1283 HydrophobicContact CB-CZ 4.14Å; F1283-F1287 HydrophobicContact CB-CB 3.86Å; F1283-F1287 HydrophobicContact CB-CD1 3.41Å; F1283-F1287 VanDerWaalsContact CB-CD1 3.41Å; F1283-F1287 HydrophobicContact CB-CE1 4.26Å; F1283-F1287 HydrophobicContact CB-CG 3.93Å; F1283-F1287 AromaticContact CD1-CD1 3.66Å; F1283-F1287 HydrophobicContact CD1-CD1 3.66Å; F1283-F1287 AromaticContact CD1-CE1 3.69Å; F1283-F1287 HydrophobicContact CD1-CE1 3.69Å; F1283-F1287 HydrophobicContact CD1-CG 4.33Å; F1283-F1287 HydrophobicContact CD1-CZ 4.43Å; F1283-F1287 AromaticContact CD2-CD1 3.89Å; F1283-F1287 HydrophobicContact CD2-CD1 3.89Å; F1283-F1287 AromaticContact CD2-CE1 3.97Å; F1283-F1287 HydrophobicContact CD2-CE1 3.97Å; F1283-F1287 HydrophobicContact CE1-CD1 4.39Å; F1283-F1287 AromaticContact CE1-CE1 3.96Å; F1283-F1287 HydrophobicContact CE1-CE1 3.96Å; F1283-F1287 HydrophobicContact CE2-CE1 4.24Å; F1283-F1287 AromaticContact CG-CD1 3.36Å; F1283-F1287 HydrophobicContact CG-CD1 3.36Å; F1283-F1287 AromaticContact CG-CE1 3.69Å; F1283-F1287 HydrophobicContact CG-CE1 3.69Å; F1283-F1287 HydrophobicContact CG-CG 4.23Å; F1283-F1287 HydrophobicContact CZ-CE1 4.23Å; F1283-Y1288 HydrophobicContact CB-CD2 4.47Å; F1283-Y1288 HydrophobicContact CB-CE1 4.32Å; F1283-Y1288 HydrophobicContact CB-CE2 3.95Å; F1283-Y1288 AromaticContact CD2-CE1 3.93Å; F1283-Y1288 HydrophobicContact CD2-CE1 3.93Å; F1283-Y1288 AromaticContact CD2-CZ 3.92Å; F1283-Y1288 PolarHBondContact N-OH 3.27Å; F1283-Y1288 VanDerWaalsContact O-CE2 3.24Å; F1283-Y1288 WeakPolarHBondContact O-CE2 3.48Å |
| 1284 | T | 90.7 | Very high | 90.5 | Very high | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.018 | 14% | 0.144 | C | C | . | . | trans | -65 | 154 | 171.3 | 65.9 | 0 | 0 | 0 | 0 | 111 | Y1246 M1247 A1286 F1287 Y1288 E1304 | Y1246-T1284 PolarHBondContact O-N 3.31Å; M1247-T1284 HydrophobicContact CB-CG2 4.12Å; M1247-T1284 HydrophobicContact CE-CG2 4.48Å; T1284-A1286 PolarHBondContact O-N 2.75Å; T1284-F1287 VanDerWaalsContact O-CB 3.3Å; T1284-F1287 WeakPolarHBondContact O-CB 3.34Å; T1284-F1287 PolarHBondContact O-N 3.04Å; T1284-Y1288 PolarHBondContact O-N 2.84Å; T1284-E1304 WeakPolarHBondContact CB-OE1 3.3Å; T1284-E1304 VanDerWaalsContact CG2-OE1 3.28Å; T1284-E1304 WeakPolarHBondContact CG2-OE1 3.41Å; T1284-E1304 PolarHBondContact OG1-OE1 3.2Å | ||
| 1285 | R | 87.5 | Confident | 90.4 | Very high | 69 Ų | 69 | 30.3 Ų | 30.3 | 26% | 0.26 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -61.6 | -27.2 | -179.7 | -170 | 174.5 | 161.3 | -149.1 | -16.8 | 113.2 | K1289 D1300 E1399 C1522 S1523 | R1285-K1289 VanDerWaalsContact NH2-NZ 3.17Å; R1285-K1289 WeakPolarHBondContact O-CG 3.38Å; R1285-K1289 PolarHBondContact O-N 2.91Å; R1285-D1300 IonicContact CZ-OD1 3.85Å; R1285-D1300 IonicContact NE-OD1 3.86Å; R1285-E1399 HydrophobicContact CG-CG 3.75Å; R1285-E1399 IonicContact CZ-OE1 3.69Å; R1285-E1399 VanDerWaalsContact CZ-OE1 3.32Å; R1285-E1399 IonicContact NE-OE1 3.68Å; R1285-E1399 PolarHBondContact NE-OE1 2.9Å; R1285-E1399 IonicContact NH2-OE1 2.67Å; R1285-E1399 PolarHBondContact NH2-OE1 3.02Å; R1285-C1522 PolarHBondContact NH2-O 3.13Å; R1285-S1523 VanDerWaalsContact NH2-CA 3.28Å; R1285-S1523 PolarHBondContact NH2-O 2.68Å |
| 1286 | A | 89.7 | Confident | 90.4 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 3% | 0.025 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.2 | -41.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T1284 K1289 H1290 V1296 D1300 E1304 M1370 | T1284-A1286 PolarHBondContact O-N 2.75Å; A1286-K1289 WeakPolarHBondContact O-CB 3.24Å; A1286-K1289 PolarHBondContact O-N 2.81Å; A1286-H1290 PolarHBondContact O-N 3.49Å; A1286-V1296 HydrophobicContact CB-CG1 3.95Å; A1286-D1300 HydrophobicContact CB-CB 4.39Å; A1286-E1304 HydrophobicContact CB-CG 4.47Å; A1286-M1370 HydrophobicContact CB-CG 4.46Å; A1286-M1370 HydrophobicContact CB-SD 3.62Å |
| 1287 | F | 93.3 | Very high | 90.3 | Very high | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.018 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.1 | -47 | 179 | -167.9 | -105.3 | 0 | 0 | 0 | 112.5 | F1236 I1248 F1283 T1284 K1289 H1290 I1291 L1378 F1381 | F1236-F1287 HydrophobicContact CE1-CZ 4.45Å; I1248-F1287 HydrophobicContact CD1-CE2 3.72Å; I1248-F1287 HydrophobicContact CG1-CD2 4.46Å; I1248-F1287 HydrophobicContact CG1-CE2 3.9Å; F1283-F1287 HydrophobicContact CB-CB 3.86Å; F1283-F1287 HydrophobicContact CB-CD1 3.41Å; F1283-F1287 VanDerWaalsContact CB-CD1 3.41Å; F1283-F1287 HydrophobicContact CB-CE1 4.26Å; F1283-F1287 HydrophobicContact CB-CG 3.93Å; F1283-F1287 AromaticContact CD1-CD1 3.66Å; F1283-F1287 HydrophobicContact CD1-CD1 3.66Å; F1283-F1287 AromaticContact CD1-CE1 3.69Å; F1283-F1287 HydrophobicContact CD1-CE1 3.69Å; F1283-F1287 HydrophobicContact CD1-CG 4.33Å; F1283-F1287 HydrophobicContact CD1-CZ 4.43Å; F1283-F1287 AromaticContact CD2-CD1 3.89Å; F1283-F1287 HydrophobicContact CD2-CD1 3.89Å; F1283-F1287 AromaticContact CD2-CE1 3.97Å; F1283-F1287 HydrophobicContact CD2-CE1 3.97Å; F1283-F1287 HydrophobicContact CE1-CD1 4.39Å; F1283-F1287 AromaticContact CE1-CE1 3.96Å; F1283-F1287 HydrophobicContact CE1-CE1 3.96Å; F1283-F1287 HydrophobicContact CE2-CE1 4.24Å; F1283-F1287 AromaticContact CG-CD1 3.36Å; F1283-F1287 HydrophobicContact CG-CD1 3.36Å; F1283-F1287 AromaticContact CG-CE1 3.69Å; F1283-F1287 HydrophobicContact CG-CE1 3.69Å; F1283-F1287 HydrophobicContact CG-CG 4.23Å; F1283-F1287 HydrophobicContact CZ-CE1 4.23Å; T1284-F1287 VanDerWaalsContact O-CB 3.3Å; T1284-F1287 WeakPolarHBondContact O-CB 3.34Å; T1284-F1287 PolarHBondContact O-N 3.04Å; F1287-K1289 VanDerWaalsContact C-N 3.28Å; F1287-K1289 PolarHBondContact O-N 2.9Å; F1287-H1290 WeakPolarHBondContact O-CB 3.46Å; F1287-H1290 PolarHBondContact O-N 3.42Å; F1287-I1291 HydrophobicContact CD1-CD1 3.98Å; F1287-I1291 HydrophobicContact CE1-CD1 3.8Å; F1287-I1291 HydrophobicContact CE1-CG1 4.46Å; F1287-I1291 PolarHBondContact O-N 3.45Å; F1287-I1291 VanDerWaalsContact O-N 3.09Å; F1287-L1378 HydrophobicContact CD2-CD1 4.21Å; F1287-L1378 HydrophobicContact CE2-CD1 3.87Å; F1287-F1381 AromaticContact CE1-CE1 3.9Å; F1287-F1381 HydrophobicContact CE1-CE1 3.9Å; F1287-F1381 HydrophobicContact CE1-CE2 4.09Å; F1287-F1381 AromaticContact CE1-CZ 3.66Å; F1287-F1381 HydrophobicContact CE1-CZ 3.66Å; F1287-F1381 AromaticContact CZ-CD1 3.82Å; F1287-F1381 HydrophobicContact CZ-CD1 3.82Å; F1287-F1381 AromaticContact CZ-CD2 3.92Å; F1287-F1381 HydrophobicContact CZ-CD2 3.92Å; F1287-F1381 AromaticContact CZ-CE1 3.64Å; F1287-F1381 HydrophobicContact CZ-CE1 3.64Å; F1287-F1381 AromaticContact CZ-CE2 3.69Å; F1287-F1381 HydrophobicContact CZ-CE2 3.69Å; F1287-F1381 AromaticContact CZ-CG 3.98Å; F1287-F1381 HydrophobicContact CZ-CG 3.98Å; F1287-F1381 AromaticContact CZ-CZ 3.57Å; F1287-F1381 HydrophobicContact CZ-CZ 3.57Å |
| 1288 | Y | 93.9 | Very high | 90.2 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.3 | -35.5 | 174.8 | -65.8 | -61.4 | 0 | 0 | 0 | 112.4 | F1283 T1284 H1290 I1291 L1292 L1402 E1403 I1406 | F1283-Y1288 HydrophobicContact CB-CD2 4.47Å; F1283-Y1288 HydrophobicContact CB-CE1 4.32Å; F1283-Y1288 HydrophobicContact CB-CE2 3.95Å; F1283-Y1288 AromaticContact CD2-CE1 3.93Å; F1283-Y1288 HydrophobicContact CD2-CE1 3.93Å; F1283-Y1288 AromaticContact CD2-CZ 3.92Å; F1283-Y1288 PolarHBondContact N-OH 3.27Å; F1283-Y1288 VanDerWaalsContact O-CE2 3.24Å; F1283-Y1288 WeakPolarHBondContact O-CE2 3.48Å; T1284-Y1288 PolarHBondContact O-N 2.84Å; Y1288-H1290 VanDerWaalsContact C-N 3.34Å; Y1288-H1290 PolarHBondContact O-N 3.26Å; Y1288-I1291 HydrophobicContact CD1-CD1 4.46Å; Y1288-I1291 PolarHBondContact O-N 3.26Å; Y1288-L1292 WeakPolarHBondContact O-CG 3.36Å; Y1288-L1292 PolarHBondContact O-N 3.21Å; Y1288-L1292 VanDerWaalsContact O-N 3.11Å; Y1288-L1402 HydrophobicContact CD1-CB 4.35Å; Y1288-L1402 HydrophobicContact CD1-CD2 3.93Å; Y1288-L1402 HydrophobicContact CD1-CG 3.89Å; Y1288-E1403 HydrophobicContact CD2-CB 4.36Å; Y1288-E1403 HydrophobicContact CE1-CB 4.26Å; Y1288-E1403 HydrophobicContact CE2-CB 3.78Å; Y1288-E1403 HydrophobicContact CE2-CG 4.04Å; Y1288-I1406 HydrophobicContact CE1-CD1 4Å |
| 1289 | K | 92 | Very high | 90.1 | Very high | 4 Ų | 4 | 26.1 Ų | 26.1 | 2% | 0.017 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.7 | -38.6 | 171.8 | -76.7 | 171.2 | 176.4 | 168.8 | 0 | 112.4 | R1285 A1286 F1287 L1292 G1293 K1294 V1296 D1300 E1399 | R1285-K1289 VanDerWaalsContact NH2-NZ 3.17Å; R1285-K1289 WeakPolarHBondContact O-CG 3.38Å; R1285-K1289 PolarHBondContact O-N 2.91Å; A1286-K1289 WeakPolarHBondContact O-CB 3.24Å; A1286-K1289 PolarHBondContact O-N 2.81Å; F1287-K1289 VanDerWaalsContact C-N 3.28Å; F1287-K1289 PolarHBondContact O-N 2.9Å; K1289-L1292 CarbonylContact O-C 3.54Å; K1289-L1292 PolarHBondContact O-N 2.96Å; K1289-G1293 PolarHBondContact O-N 3.39Å; K1289-K1294 HydrophobicContact CB-CB 4.23Å; K1289-K1294 HydrophobicContact CG-CB 4.31Å; K1289-K1294 PolarHBondContact O-N 2.71Å; K1289-V1296 HydrophobicContact CB-CG1 4.41Å; K1289-D1300 WeakPolarHBondContact CD-OD2 3.5Å; K1289-D1300 IonicContact NZ-OD1 3.64Å; K1289-D1300 PolarHBondContact NZ-OD1 3.04Å; K1289-D1300 IonicContact NZ-OD2 2.92Å; K1289-D1300 PolarHBondContact NZ-OD2 3.04Å; K1289-E1399 VanDerWaalsContact CE-CD 3.44Å; K1289-E1399 WeakPolarHBondContact CE-OE1 3.42Å; K1289-E1399 HydrophobicContact CG-CB 4.04Å; K1289-E1399 HydrophobicContact CG-CG 4.12Å; K1289-E1399 IonicContact NZ-OE1 3.79Å; K1289-E1399 PolarHBondContact NZ-OE1 3.49Å |
| 1290 | H | 93.2 | Very high | 89.8 | Confident | 18 Ų | 18 | 26 Ų | 26 | 8% | 0.083 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.7 | -37.7 | 175.2 | -66.1 | -21.9 | 0 | 0 | 0 | 113.2 | A1286 F1287 Y1288 L1292 G1293 V1296 T1371 L1378 | A1286-H1290 PolarHBondContact O-N 3.49Å; F1287-H1290 WeakPolarHBondContact O-CB 3.46Å; F1287-H1290 PolarHBondContact O-N 3.42Å; Y1288-H1290 VanDerWaalsContact C-N 3.34Å; Y1288-H1290 PolarHBondContact O-N 3.26Å; H1290-L1292 VanDerWaalsContact C-N 3.29Å; H1290-L1292 PolarHBondContact O-N 3.01Å; H1290-G1293 PolarHBondContact O-N 2.97Å; H1290-G1293 VanDerWaalsContact O-N 3.09Å; H1290-V1296 VanDerWaalsContact CE1-CG1 3.43Å; H1290-V1296 WeakPolarHBondContact CE1-CG1 3.43Å; H1290-T1371 PolarHBondContact CE1-OG1 3.21Å; H1290-T1371 PolarHBondContact NE2-OG1 2.97Å; H1290-L1378 HydrophobicContact CB-CD1 3.9Å; H1290-L1378 HydrophobicContact CB-CD2 3.95Å; H1290-L1378 HydrophobicContact CB-CG 4.45Å; H1290-L1378 VanDerWaalsContact CD2-CD2 3.42Å; H1290-L1378 WeakPolarHBondContact CD2-CD2 3.28Å |
| 1291 | I | 95.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.3 | -33.8 | 172.6 | -58.8 | 171 | 0 | 0 | 0 | 111.8 | F1287 Y1288 G1293 F1381 L1382 F1385 Y1386 L1402 | F1287-I1291 HydrophobicContact CD1-CD1 3.98Å; F1287-I1291 HydrophobicContact CE1-CD1 3.8Å; F1287-I1291 HydrophobicContact CE1-CG1 4.46Å; F1287-I1291 PolarHBondContact O-N 3.45Å; F1287-I1291 VanDerWaalsContact O-N 3.09Å; Y1288-I1291 HydrophobicContact CD1-CD1 4.46Å; Y1288-I1291 PolarHBondContact O-N 3.26Å; I1291-G1293 VanDerWaalsContact C-N 3.32Å; I1291-F1381 HydrophobicContact CD1-CE1 3.82Å; I1291-F1381 HydrophobicContact CD1-CZ 4.26Å; I1291-F1381 HydrophobicContact CG1-CE1 3.98Å; I1291-L1382 HydrophobicContact CB-CD2 4.29Å; I1291-L1382 HydrophobicContact CG1-CD2 3.98Å; I1291-F1385 HydrophobicContact CG2-CD1 4.06Å; I1291-F1385 HydrophobicContact CG2-CE1 3.73Å; I1291-F1385 HydrophobicContact CG2-CE2 4.42Å; I1291-F1385 HydrophobicContact CG2-CZ 3.93Å; I1291-Y1386 PolarHBondContact O-OH 3.49Å; I1291-L1402 HydrophobicContact CB-CD2 3.75Å; I1291-L1402 HydrophobicContact CD1-CD2 4.28Å; I1291-L1402 HydrophobicContact CG2-CD2 3.7Å |
| 1292 | L | 92.2 | Very high | 89.7 | Confident | 12 Ų | 12 | 23.6 Ų | 23.6 | 6% | 0.063 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -4.6 | 174.5 | -62.4 | 172.5 | 0 | 0 | 0 | 113.4 | Y1288 K1289 H1290 K1294 I1394 F1397 N1398 E1399 L1402 | Y1288-L1292 WeakPolarHBondContact O-CG 3.36Å; Y1288-L1292 PolarHBondContact O-N 3.21Å; Y1288-L1292 VanDerWaalsContact O-N 3.11Å; K1289-L1292 CarbonylContact O-C 3.54Å; K1289-L1292 PolarHBondContact O-N 2.96Å; H1290-L1292 VanDerWaalsContact C-N 3.29Å; H1290-L1292 PolarHBondContact O-N 3.01Å; L1292-K1294 HydrophobicContact CB-CD 4.23Å; L1292-K1294 HydrophobicContact CB-CG 3.92Å; L1292-K1294 HydrophobicContact CD1-CD 4.35Å; L1292-K1294 PolarHBondContact O-N 3.19Å; L1292-I1394 HydrophobicContact CD2-CG1 4.48Å; L1292-I1394 WeakPolarHBondContact CD2-O 3.32Å; L1292-F1397 WeakPolarHBondContact CD1-O 3.46Å; L1292-N1398 VanDerWaalsContact CD1-C 3.43Å; L1292-E1399 HydrophobicContact CD1-CB 4.12Å; L1292-L1402 HydrophobicContact CD1-CD2 4.39Å; L1292-L1402 HydrophobicContact CD2-CD2 4.1Å; L1292-L1402 HydrophobicContact CG-CD2 3.9Å |
| 1293 | G | 89 | Confident | 89.2 | Confident | 46 Ų | 46 | 23 Ų | 23 | 47% | 0.474 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 19.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | K1289 H1290 I1291 | K1289-G1293 PolarHBondContact O-N 3.39Å; H1290-G1293 PolarHBondContact O-N 2.97Å; H1290-G1293 VanDerWaalsContact O-N 3.09Å; I1291-G1293 VanDerWaalsContact C-N 3.32Å |
| 1294 | K | 86.9 | Confident | 88.7 | Confident | 21 Ų | 21 | 24.5 Ų | 24.5 | 9% | 0.091 | 13% | 0.133 | C | C | . | . | P | Polyproline II helix | trans | -82.5 | 143.8 | 177.2 | -61.6 | -172.7 | -178.6 | 175.6 | 0 | 110.2 | K1289 L1292 E1524 F1528 | K1289-K1294 HydrophobicContact CB-CB 4.23Å; K1289-K1294 HydrophobicContact CG-CB 4.31Å; K1289-K1294 PolarHBondContact O-N 2.71Å; L1292-K1294 HydrophobicContact CB-CD 4.23Å; L1292-K1294 HydrophobicContact CB-CG 3.92Å; L1292-K1294 HydrophobicContact CD1-CD 4.35Å; L1292-K1294 PolarHBondContact O-N 3.19Å; K1294-E1524 IonicContact NZ-OE1 3.86Å; K1294-E1524 PolarHBondContact NZ-OE1 1.8Å; K1294-F1528 HydrophobicContact CB-CE2 4.39Å; K1294-F1528 HydrophobicContact CB-CZ 3.81Å; K1294-F1528 HydrophobicContact CD-CE1 4.31Å; K1294-F1528 HydrophobicContact CD-CE2 3.96Å; K1294-F1528 HydrophobicContact CD-CZ 3.68Å; K1294-F1528 HydrophobicContact CG-CE1 4.14Å; K1294-F1528 HydrophobicContact CG-CE2 4.25Å; K1294-F1528 HydrophobicContact CG-CZ 3.53Å |
| 1295 | P | 86.1 | Confident | 88.5 | Confident | 79 Ų | 79 | 26.9 Ų | 26.9 | 51% | 0.513 | 15% | 0.146 | S | C | . | . | P | Polyproline II helix | trans | -68.9 | 145.8 | 174.7 | 29.9 | -34.1 | 0 | 0 | 0 | 110.8 | ||
| 1296 | V | 88.1 | Confident | 88.3 | Confident | 9 Ų | 9 | 24.2 Ų | 24.2 | 6% | 0.055 | 14% | 0.137 | C | C | . | . | P | Polyproline II helix | trans | -79.8 | 145.8 | 176 | -70.8 | 0 | 0 | 0 | 0 | 110.9 | A1286 K1289 H1290 M1370 | A1286-V1296 HydrophobicContact CB-CG1 3.95Å; K1289-V1296 HydrophobicContact CB-CG1 4.41Å; H1290-V1296 VanDerWaalsContact CE1-CG1 3.43Å; H1290-V1296 WeakPolarHBondContact CE1-CG1 3.43Å; V1296-M1370 HydrophobicContact CB-CE 3.67Å; V1296-M1370 HydrophobicContact CB-SD 3.98Å; V1296-M1370 HydrophobicContact CG1-CE 4.49Å; V1296-M1370 HydrophobicContact CG1-SD 4.16Å; V1296-M1370 HydrophobicContact CG2-CB 4.37Å; V1296-M1370 HydrophobicContact CG2-CE 3.64Å; V1296-M1370 HydrophobicContact CG2-SD 4.23Å |
| 1297 | K | 85.4 | Confident | 88.2 | Confident | 56 Ų | 56 | 27.7 Ų | 27.7 | 24% | 0.243 | 16% | 0.162 | C | C | . | . | trans | -106.2 | 157.4 | -178.1 | -64.4 | 174.7 | 176.8 | 175.2 | 0 | 109.3 | T1299 D1300 S1523 G1525 | K1297-T1299 PolarHBondContact O-N 3.09Å; K1297-T1299 VanDerWaalsContact O-N 3.17Å; K1297-D1300 PolarHBondContact N-OD2 2.86Å; K1297-D1300 WeakPolarHBondContact O-CB 3.42Å; K1297-D1300 PolarHBondContact O-N 3.34Å; K1297-S1523 PolarHBondContact NZ-O 3.39Å; K1297-G1525 PolarHBondContact NZ-O 3.48Å | ||
| 1298 | Y | 87.2 | Confident | 88 | Confident | 66 Ų | 66 | 29.6 Ų | 29.6 | 26% | 0.259 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -61.4 | -26.5 | 178.1 | 78 | -87.1 | 0 | 0 | 0 | 113.5 | D1300 M1301 Y1309 L1316 V1362 C1366 | Y1298-D1300 PolarHBondContact O-N 3.44Å; Y1298-M1301 WeakPolarHBondContact O-CB 3.45Å; Y1298-M1301 PolarHBondContact O-N 3.43Å; Y1298-M1301 VanDerWaalsContact O-N 3.14Å; Y1298-Y1309 HydrophobicContact CD2-CD2 4.24Å; Y1298-Y1309 AromaticContact CD2-CE2 3.77Å; Y1298-Y1309 HydrophobicContact CD2-CE2 3.77Å; Y1298-Y1309 AromaticContact CE2-CE2 3.93Å; Y1298-Y1309 HydrophobicContact CE2-CE2 3.93Å; Y1298-Y1309 VanDerWaalsContact O-CD2 3.29Å; Y1298-Y1309 WeakPolarHBondContact O-CD2 3.35Å; Y1298-L1316 HydrophobicContact CD1-CD1 4.01Å; Y1298-L1316 HydrophobicContact CD2-CD1 3.97Å; Y1298-L1316 HydrophobicContact CE1-CD1 3.87Å; Y1298-L1316 HydrophobicContact CE2-CD1 3.84Å; Y1298-L1316 HydrophobicContact CG-CD1 4.06Å; Y1298-V1362 HydrophobicContact CG-CG1 4.12Å; Y1298-C1366 VanDerWaalsContact CA-SG 3.54Å |
| 1299 | T | 87.3 | Confident | 87.8 | Confident | 48 Ų | 48 | 30.4 Ų | 30.4 | 29% | 0.294 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -65.1 | -24.9 | 171.7 | 56.9 | 0 | 0 | 0 | 0 | 113.4 | K1297 M1301 E1302 | K1297-T1299 PolarHBondContact O-N 3.09Å; K1297-T1299 VanDerWaalsContact O-N 3.17Å; T1299-M1301 PolarHBondContact O-N 2.94Å; T1299-E1302 WeakPolarHBondContact O-CB 3.41Å; T1299-E1302 PolarHBondContact O-N 3.41Å |
| 1300 | D | 87.3 | Confident | 87.7 | Confident | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -73.9 | -16.4 | 175.7 | -54.4 | -46.5 | 0 | 0 | 0 | 111.5 | R1285 A1286 K1289 K1297 Y1298 E1302 E1304 M1370 | R1285-D1300 IonicContact CZ-OD1 3.85Å; R1285-D1300 IonicContact NE-OD1 3.86Å; A1286-D1300 HydrophobicContact CB-CB 4.39Å; K1289-D1300 WeakPolarHBondContact CD-OD2 3.5Å; K1289-D1300 IonicContact NZ-OD1 3.64Å; K1289-D1300 PolarHBondContact NZ-OD1 3.04Å; K1289-D1300 IonicContact NZ-OD2 2.92Å; K1289-D1300 PolarHBondContact NZ-OD2 3.04Å; K1297-D1300 PolarHBondContact N-OD2 2.86Å; K1297-D1300 WeakPolarHBondContact O-CB 3.42Å; K1297-D1300 PolarHBondContact O-N 3.34Å; Y1298-D1300 PolarHBondContact O-N 3.44Å; D1300-E1302 PolarHBondContact O-N 3.19Å; D1300-E1304 WeakPolarHBondContact O-CG 3.18Å; D1300-M1370 HydrophobicContact CB-CE 4.22Å; D1300-M1370 HydrophobicContact CB-SD 3.91Å |
| 1301 | M | 88.1 | Confident | 87.5 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.025 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.4 | -20.2 | 171.2 | -163.8 | 63.2 | 71.5 | 0 | 0 | 112.2 | Y1298 T1299 S1303 E1304 D1305 F1308 Y1309 L1312 C1366 K1369 M1370 | Y1298-M1301 WeakPolarHBondContact O-CB 3.45Å; Y1298-M1301 PolarHBondContact O-N 3.43Å; Y1298-M1301 VanDerWaalsContact O-N 3.14Å; T1299-M1301 PolarHBondContact O-N 2.94Å; M1301-S1303 VanDerWaalsContact C-N 3.29Å; M1301-S1303 PolarHBondContact O-N 3.47Å; M1301-E1304 PolarHBondContact O-N 3.05Å; M1301-E1304 HydrophobicContact SD-CB 4.18Å; M1301-D1305 CarbonylContact O-C 3.53Å; M1301-D1305 PolarHBondContact O-N 2.77Å; M1301-D1305 VanDerWaalsContact O-O 3.12Å; M1301-D1305 HydrophobicContact SD-CB 4.08Å; M1301-F1308 HydrophobicContact CE-CD1 4.02Å; M1301-F1308 HydrophobicContact CE-CE1 4.28Å; M1301-F1308 HydrophobicContact CG-CD1 4.07Å; M1301-F1308 HydrophobicContact SD-CD1 4.05Å; M1301-Y1309 HydrophobicContact CB-CD2 4.46Å; M1301-L1312 HydrophobicContact CG-CD1 4.24Å; M1301-C1366 HydrophobicContact CE-CB 4.38Å; M1301-K1369 HydrophobicContact CE-CB 3.58Å; M1301-K1369 HydrophobicContact CE-CG 4.2Å; M1301-M1370 HydrophobicContact CE-CE 3.91Å; M1301-M1370 HydrophobicContact CE-CG 4.1Å |
| 1302 | E | 85.5 | Confident | 87.3 | Confident | 21 Ų | 21 | 38.3 Ų | 38.3 | 10% | 0.098 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.9 | -39.6 | -175.8 | -171.4 | 158.6 | -163.7 | 0 | 0 | 111.7 | T1299 D1300 P1306 Y1309 H1494 C1496 | T1299-E1302 WeakPolarHBondContact O-CB 3.41Å; T1299-E1302 PolarHBondContact O-N 3.41Å; D1300-E1302 PolarHBondContact O-N 3.19Å; E1302-P1306 WeakPolarHBondContact O-CA 3.44Å; E1302-P1306 VanDerWaalsContact O-CG 3.26Å; E1302-P1306 WeakPolarHBondContact O-CG 3.39Å; E1302-Y1309 HydrophobicContact CB-CD1 3.66Å; E1302-Y1309 HydrophobicContact CB-CD2 4.16Å; E1302-Y1309 HydrophobicContact CB-CE1 3.76Å; E1302-Y1309 HydrophobicContact CB-CE2 4.27Å; E1302-Y1309 HydrophobicContact CB-CG 3.83Å; E1302-Y1309 HydrophobicContact CG-CD1 3.56Å; E1302-Y1309 HydrophobicContact CG-CE1 3.49Å; E1302-Y1309 VanDerWaalsContact CG-CE1 3.49Å; E1302-Y1309 HydrophobicContact CG-CG 4.26Å; E1302-Y1309 WeakPolarHBondContact OE1-CE1 3.25Å; E1302-Y1309 VanDerWaalsContact OE2-CE1 3.27Å; E1302-Y1309 WeakPolarHBondContact OE2-CE1 3.21Å; E1302-Y1309 VanDerWaalsContact OE2-CZ 3.24Å; E1302-Y1309 PolarHBondContact OE2-OH 2.77Å; E1302-H1494 IonicContact OE1-CE1 3.66Å; E1302-H1494 IonicContact OE1-CG 2.89Å; E1302-H1494 IonicContact OE1-ND1 3.14Å; E1302-H1494 PolarHBondContact OE1-ND1 3.44Å; E1302-H1494 IonicContact OE2-ND1 3.87Å; E1302-C1496 PolarHBondContact O-SG 2.85Å |
| 1303 | S | 81 | Confident | 87.2 | Confident | 11 Ų | 11 | 41.2 Ų | 41.2 | 8% | 0.077 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -93.9 | -16.7 | 176.1 | 56.6 | 0 | 0 | 0 | 0 | 115.3 | S1239 G1241 D1242 M1301 | S1239-S1303 PolarHBondContact OG-O 3.26Å; G1241-S1303 PolarHBondContact N-O 3.03Å; D1242-S1303 WeakPolarHBondContact OD2-CB 3.42Å; M1301-S1303 VanDerWaalsContact C-N 3.29Å; M1301-S1303 PolarHBondContact O-N 3.47Å |
| 1304 | E | 82.7 | Confident | 87.2 | Confident | 33 Ų | 33 | 44.4 Ų | 44.4 | 15% | 0.154 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -80.3 | -52.2 | 174.7 | -65.6 | -87.6 | 145.7 | 0 | 0 | 111.6 | P1240 M1247 T1284 A1286 D1300 M1301 M1370 | P1240-E1304 WeakPolarHBondContact CD-O 2.88Å; P1240-E1304 WeakPolarHBondContact CG-O 3.34Å; M1247-E1304 HydrophobicContact CE-CB 4.29Å; M1247-E1304 HydrophobicContact CE-CG 4.45Å; M1247-E1304 WeakPolarHBondContact CE-OE2 3.3Å; T1284-E1304 WeakPolarHBondContact CB-OE1 3.3Å; T1284-E1304 VanDerWaalsContact CG2-OE1 3.28Å; T1284-E1304 WeakPolarHBondContact CG2-OE1 3.41Å; T1284-E1304 PolarHBondContact OG1-OE1 3.2Å; A1286-E1304 HydrophobicContact CB-CG 4.47Å; D1300-E1304 WeakPolarHBondContact O-CG 3.18Å; M1301-E1304 PolarHBondContact O-N 3.05Å; M1301-E1304 HydrophobicContact SD-CB 4.18Å; E1304-M1370 HydrophobicContact CG-CG 4.04Å; E1304-M1370 HydrophobicContact CG-SD 4.06Å |
| 1305 | D | 86.2 | Confident | 87.4 | Confident | 52 Ų | 52 | 43.7 Ų | 43.7 | 28% | 0.278 | 23% | 0.227 | S | C | . | . | trans | -144.3 | 91.4 | 174.7 | -176.5 | -18.9 | 0 | 0 | 0 | 109.8 | M1301 S1307 F1308 Y1309 | M1301-D1305 CarbonylContact O-C 3.53Å; M1301-D1305 PolarHBondContact O-N 2.77Å; M1301-D1305 VanDerWaalsContact O-O 3.12Å; M1301-D1305 HydrophobicContact SD-CB 4.08Å; D1305-S1307 PolarHBondContact O-N 2.66Å; D1305-S1307 VanDerWaalsContact O-N 3.12Å; D1305-S1307 WeakPolarHBondContact OD1-CB 3.37Å; D1305-S1307 PolarHBondContact OD1-N 3.17Å; D1305-S1307 PolarHBondContact OD1-OG 3.48Å; D1305-F1308 HydrophobicContact CB-CB 3.94Å; D1305-F1308 PolarHBondContact O-N 2.77Å; D1305-F1308 PolarHBondContact OD1-N 2.99Å; D1305-F1308 VanDerWaalsContact OD2-CB 3.3Å; D1305-F1308 WeakPolarHBondContact OD2-CB 3.34Å; D1305-Y1309 WeakPolarHBondContact O-CB 3.4Å; D1305-Y1309 PolarHBondContact O-N 2.9Å | ||
| 1306 | P | 85.1 | Confident | 87.6 | Confident | 13 Ų | 13 | 41.5 Ų | 41.5 | 8% | 0.084 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.9 | -29.9 | 179.7 | -22.3 | 27.5 | 0 | 0 | 0 | 113.9 | E1302 Q1310 M1472 | E1302-P1306 WeakPolarHBondContact O-CA 3.44Å; E1302-P1306 VanDerWaalsContact O-CG 3.26Å; E1302-P1306 WeakPolarHBondContact O-CG 3.39Å; P1306-Q1310 WeakPolarHBondContact O-CG 3.49Å; P1306-Q1310 PolarHBondContact O-N 3.36Å; P1306-Q1310 VanDerWaalsContact O-N 3.16Å; P1306-M1472 HydrophobicContact CB-SD 3.67Å; P1306-M1472 HydrophobicContact CG-SD 3.74Å |
| 1307 | S | 87.3 | Confident | 87.7 | Confident | 77 Ų | 77 | 47.7 Ų | 47.7 | 54% | 0.538 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -77.5 | -38.5 | -177.2 | 77.5 | 0 | 0 | 0 | 0 | 112.1 | D1305 S1311 | D1305-S1307 PolarHBondContact O-N 2.66Å; D1305-S1307 VanDerWaalsContact O-N 3.12Å; D1305-S1307 WeakPolarHBondContact OD1-CB 3.37Å; D1305-S1307 PolarHBondContact OD1-N 3.17Å; D1305-S1307 PolarHBondContact OD1-OG 3.48Å; S1307-S1311 PolarHBondContact O-N 3.03Å; S1307-S1311 PolarHBondContact O-OG 2.88Å |
| 1308 | F | 89.2 | Confident | 87.8 | Confident | 43 Ų | 43 | 47 Ų | 47 | 19% | 0.189 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -75.6 | -35 | 175.2 | -166 | -114.8 | 0 | 0 | 0 | 111.3 | M1301 D1305 S1311 L1312 V1365 K1369 | M1301-F1308 HydrophobicContact CE-CD1 4.02Å; M1301-F1308 HydrophobicContact CE-CE1 4.28Å; M1301-F1308 HydrophobicContact CG-CD1 4.07Å; M1301-F1308 HydrophobicContact SD-CD1 4.05Å; D1305-F1308 HydrophobicContact CB-CB 3.94Å; D1305-F1308 PolarHBondContact O-N 2.77Å; D1305-F1308 PolarHBondContact OD1-N 2.99Å; D1305-F1308 VanDerWaalsContact OD2-CB 3.3Å; D1305-F1308 WeakPolarHBondContact OD2-CB 3.34Å; F1308-S1311 WeakPolarHBondContact O-CB 3.27Å; F1308-S1311 PolarHBondContact O-N 3.45Å; F1308-S1311 VanDerWaalsContact O-N 3.14Å; F1308-L1312 HydrophobicContact CD1-CD1 3.83Å; F1308-L1312 HydrophobicContact CD1-CG 4.29Å; F1308-L1312 HydrophobicContact CE1-CD1 3.83Å; F1308-L1312 HydrophobicContact CE1-CD2 4.28Å; F1308-L1312 HydrophobicContact CE1-CG 4.19Å; F1308-L1312 HydrophobicContact CZ-CD2 4.38Å; F1308-L1312 WeakPolarHBondContact O-CG 3.14Å; F1308-L1312 PolarHBondContact O-N 3.34Å; F1308-V1365 HydrophobicContact CE1-CG1 3.39Å; F1308-V1365 HydrophobicContact CZ-CG1 3.44Å; F1308-V1365 VanDerWaalsContact CZ-CG1 3.44Å; F1308-K1369 HydrophobicContact CD1-CG 4.39Å; F1308-K1369 HydrophobicContact CE1-CD 4.47Å; F1308-K1369 HydrophobicContact CE1-CG 3.8Å; F1308-K1369 HydrophobicContact CZ-CG 4.4Å |
| 1309 | Y | 89.5 | Confident | 87.9 | Confident | 21 Ų | 21 | 46.2 Ų | 46.2 | 8% | 0.082 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.1 | -49.3 | 169.2 | 171.4 | -114.9 | 0 | 0 | 0 | 112.5 | Y1298 M1301 E1302 D1305 S1311 L1312 F1313 | Y1298-Y1309 HydrophobicContact CD2-CD2 4.24Å; Y1298-Y1309 AromaticContact CD2-CE2 3.77Å; Y1298-Y1309 HydrophobicContact CD2-CE2 3.77Å; Y1298-Y1309 AromaticContact CE2-CE2 3.93Å; Y1298-Y1309 HydrophobicContact CE2-CE2 3.93Å; Y1298-Y1309 VanDerWaalsContact O-CD2 3.29Å; Y1298-Y1309 WeakPolarHBondContact O-CD2 3.35Å; M1301-Y1309 HydrophobicContact CB-CD2 4.46Å; E1302-Y1309 HydrophobicContact CB-CD1 3.66Å; E1302-Y1309 HydrophobicContact CB-CD2 4.16Å; E1302-Y1309 HydrophobicContact CB-CE1 3.76Å; E1302-Y1309 HydrophobicContact CB-CE2 4.27Å; E1302-Y1309 HydrophobicContact CB-CG 3.83Å; E1302-Y1309 HydrophobicContact CG-CD1 3.56Å; E1302-Y1309 HydrophobicContact CG-CE1 3.49Å; E1302-Y1309 VanDerWaalsContact CG-CE1 3.49Å; E1302-Y1309 HydrophobicContact CG-CG 4.26Å; E1302-Y1309 WeakPolarHBondContact OE1-CE1 3.25Å; E1302-Y1309 VanDerWaalsContact OE2-CE1 3.27Å; E1302-Y1309 WeakPolarHBondContact OE2-CE1 3.21Å; E1302-Y1309 VanDerWaalsContact OE2-CZ 3.24Å; E1302-Y1309 PolarHBondContact OE2-OH 2.77Å; D1305-Y1309 WeakPolarHBondContact O-CB 3.4Å; D1305-Y1309 PolarHBondContact O-N 2.9Å; Y1309-S1311 PolarHBondContact O-N 2.86Å; Y1309-L1312 PolarHBondContact O-N 2.81Å; Y1309-L1312 VanDerWaalsContact O-N 3.14Å; Y1309-F1313 WeakPolarHBondContact O-CB 3.21Å; Y1309-F1313 PolarHBondContact O-N 2.65Å |
| 1310 | Q | 89.1 | Confident | 87.9 | Confident | 112 Ų | 112 | 44.7 Ų | 44.7 | 52% | 0.523 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.1 | -37.2 | 175.4 | -73.5 | 172.3 | 23 | 0 | 0 | 112.2 | P1306 Y1314 | P1306-Q1310 WeakPolarHBondContact O-CG 3.49Å; P1306-Q1310 PolarHBondContact O-N 3.36Å; P1306-Q1310 VanDerWaalsContact O-N 3.16Å; Q1310-Y1314 WeakPolarHBondContact O-CB 3.47Å; Q1310-Y1314 PolarHBondContact O-N 3.12Å |
| 1311 | S | 89 | Confident | 87.9 | Confident | 73 Ų | 73 | 49.6 Ų | 49.6 | 51% | 0.51 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -68 | -41.1 | 177.3 | -56.4 | 0 | 0 | 0 | 0 | 112.5 | S1307 F1308 Y1309 L1315 | S1307-S1311 PolarHBondContact O-N 3.03Å; S1307-S1311 PolarHBondContact O-OG 2.88Å; F1308-S1311 WeakPolarHBondContact O-CB 3.27Å; F1308-S1311 PolarHBondContact O-N 3.45Å; F1308-S1311 VanDerWaalsContact O-N 3.14Å; Y1309-S1311 PolarHBondContact O-N 2.86Å; S1311-L1315 PolarHBondContact O-N 3.15Å; S1311-L1315 VanDerWaalsContact O-N 3.11Å |
| 1312 | L | 91.2 | Very high | 87.8 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.5 | -39.1 | 175.1 | -64.9 | 169.9 | 0 | 0 | 0 | 111.9 | M1301 F1308 Y1309 L1315 L1316 V1362 V1365 C1366 | M1301-L1312 HydrophobicContact CG-CD1 4.24Å; F1308-L1312 HydrophobicContact CD1-CD1 3.83Å; F1308-L1312 HydrophobicContact CD1-CG 4.29Å; F1308-L1312 HydrophobicContact CE1-CD1 3.83Å; F1308-L1312 HydrophobicContact CE1-CD2 4.28Å; F1308-L1312 HydrophobicContact CE1-CG 4.19Å; F1308-L1312 HydrophobicContact CZ-CD2 4.38Å; F1308-L1312 WeakPolarHBondContact O-CG 3.14Å; F1308-L1312 PolarHBondContact O-N 3.34Å; Y1309-L1312 PolarHBondContact O-N 2.81Å; Y1309-L1312 VanDerWaalsContact O-N 3.14Å; L1312-L1315 WeakPolarHBondContact O-CB 3.36Å; L1312-L1315 PolarHBondContact O-N 3.33Å; L1312-L1316 WeakPolarHBondContact O-CG 3.45Å; L1312-L1316 PolarHBondContact O-N 3.09Å; L1312-V1362 HydrophobicContact CD2-CG1 4.44Å; L1312-V1362 HydrophobicContact CD2-CG2 4.05Å; L1312-V1365 HydrophobicContact CD2-CG1 4.03Å; L1312-C1366 VanDerWaalsContact CD1-SG 3.59Å |
| 1313 | F | 89.1 | Confident | 87.7 | Confident | 73 Ų | 73 | 55.4 Ų | 55.4 | 32% | 0.32 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 175 | -176.2 | -91.1 | 0 | 0 | 0 | 111 | Y1309 L1315 L1316 E1317 | Y1309-F1313 WeakPolarHBondContact O-CB 3.21Å; Y1309-F1313 PolarHBondContact O-N 2.65Å; F1313-L1315 VanDerWaalsContact C-N 3.34Å; F1313-L1315 PolarHBondContact O-N 3.01Å; F1313-L1316 PolarHBondContact O-N 3.39Å; F1313-L1316 VanDerWaalsContact O-N 3.11Å; F1313-E1317 HydrophobicContact CD1-CG 4.4Å; F1313-E1317 HydrophobicContact CE1-CG 3.9Å; F1313-E1317 VanDerWaalsContact CE1-OE2 3.23Å; F1313-E1317 WeakPolarHBondContact CE1-OE2 3.39Å; F1313-E1317 HydrophobicContact CZ-CG 3.95Å; F1313-E1317 WeakPolarHBondContact CZ-OE1 3.45Å; F1313-E1317 PolarHBondContact O-N 3.11Å |
| 1314 | Y | 90 | Very high | 87.7 | Confident | 112 Ų | 112 | 58.6 Ų | 58.6 | 44% | 0.439 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 175.1 | -174 | -93.1 | 0 | 0 | 0 | 112.3 | Q1310 L1316 N1318 L1323 | Q1310-Y1314 WeakPolarHBondContact O-CB 3.47Å; Q1310-Y1314 PolarHBondContact O-N 3.12Å; Y1314-L1316 VanDerWaalsContact C-N 3.32Å; Y1314-L1316 PolarHBondContact O-N 3.4Å; Y1314-N1318 VanDerWaalsContact CD2-ND2 3.25Å; Y1314-N1318 WeakPolarHBondContact CD2-ND2 3.5Å; Y1314-N1318 HydrophobicContact CE1-CB 4.26Å; Y1314-N1318 VanDerWaalsContact CE2-ND2 3.28Å; Y1314-N1318 WeakPolarHBondContact CE2-ND2 3.27Å; Y1314-N1318 WeakPolarHBondContact O-CB 3.29Å; Y1314-N1318 PolarHBondContact O-N 2.89Å; Y1314-N1318 PolarHBondContact O-ND2 3.36Å; Y1314-L1323 HydrophobicContact CD1-CD2 3.94Å; Y1314-L1323 HydrophobicContact CE1-CD2 3.85Å |
| 1315 | L | 90.6 | Very high | 87.8 | Confident | 7 Ų | 7 | 64 Ų | 64 | 4% | 0.037 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.6 | -36.3 | 174.4 | 172.3 | 64.1 | 0 | 0 | 0 | 112.7 | S1311 L1312 F1313 N1318 V1320 L1323 K1358 Y1361 V1362 | S1311-L1315 PolarHBondContact O-N 3.15Å; S1311-L1315 VanDerWaalsContact O-N 3.11Å; L1312-L1315 WeakPolarHBondContact O-CB 3.36Å; L1312-L1315 PolarHBondContact O-N 3.33Å; F1313-L1315 VanDerWaalsContact C-N 3.34Å; F1313-L1315 PolarHBondContact O-N 3.01Å; L1315-N1318 VanDerWaalsContact O-O 3.07Å; L1315-V1320 HydrophobicContact CD1-CG2 4.08Å; L1315-L1323 HydrophobicContact CD1-CD1 3.74Å; L1315-K1358 HydrophobicContact CD1-CB 4.49Å; L1315-K1358 HydrophobicContact CD1-CD 4.48Å; L1315-K1358 VanDerWaalsContact O-CD 3.27Å; L1315-K1358 WeakPolarHBondContact O-CD 3.15Å; L1315-K1358 WeakPolarHBondContact O-CE 3.21Å; L1315-K1358 PolarHBondContact O-NZ 2.95Å; L1315-Y1361 HydrophobicContact CD2-CD1 3.68Å; L1315-Y1361 HydrophobicContact CD2-CE1 3.69Å; L1315-V1362 HydrophobicContact CD2-CG2 3.86Å; L1315-V1362 HydrophobicContact CG-CG2 4.48Å |
| 1316 | L | 91 | Very high | 87.7 | Confident | 32 Ų | 32 | 68.3 Ų | 68.3 | 17% | 0.168 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -72.1 | -48.9 | 177.3 | -71.3 | 176.4 | 0 | 0 | 0 | 112.1 | Y1298 L1312 F1313 Y1314 K1358 V1362 | Y1298-L1316 HydrophobicContact CD1-CD1 4.01Å; Y1298-L1316 HydrophobicContact CD2-CD1 3.97Å; Y1298-L1316 HydrophobicContact CE1-CD1 3.87Å; Y1298-L1316 HydrophobicContact CE2-CD1 3.84Å; Y1298-L1316 HydrophobicContact CG-CD1 4.06Å; L1312-L1316 WeakPolarHBondContact O-CG 3.45Å; L1312-L1316 PolarHBondContact O-N 3.09Å; F1313-L1316 PolarHBondContact O-N 3.39Å; F1313-L1316 VanDerWaalsContact O-N 3.11Å; Y1314-L1316 VanDerWaalsContact C-N 3.32Å; Y1314-L1316 PolarHBondContact O-N 3.4Å; L1316-K1358 VanDerWaalsContact O-CE 3.29Å; L1316-K1358 WeakPolarHBondContact O-CE 3.45Å; L1316-K1358 PolarHBondContact O-NZ 2.83Å; L1316-V1362 HydrophobicContact CD1-CG1 4.4Å; L1316-V1362 HydrophobicContact CD2-CG2 4Å; L1316-V1362 HydrophobicContact CG-CG2 4.2Å |
| 1317 | E | 89.2 | Confident | 87.9 | Confident | 140 Ų | 140 | 68.8 Ų | 68.8 | 65% | 0.654 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -71.8 | -33.1 | -176.9 | -68.3 | -156 | 141.3 | 0 | 0 | 113.9 | F1313 | F1313-E1317 HydrophobicContact CD1-CG 4.4Å; F1313-E1317 HydrophobicContact CE1-CG 3.9Å; F1313-E1317 VanDerWaalsContact CE1-OE2 3.23Å; F1313-E1317 WeakPolarHBondContact CE1-OE2 3.39Å; F1313-E1317 HydrophobicContact CZ-CG 3.95Å; F1313-E1317 WeakPolarHBondContact CZ-OE1 3.45Å; F1313-E1317 PolarHBondContact O-N 3.11Å |
| 1318 | N | 89.2 | Confident | 88.2 | Confident | 42 Ų | 42 | 67 Ų | 67 | 23% | 0.225 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -102.1 | 147.9 | -175.3 | -59.2 | -91.5 | 0 | 0 | 0 | 111.4 | Y1314 L1315 K1358 | Y1314-N1318 VanDerWaalsContact CD2-ND2 3.25Å; Y1314-N1318 WeakPolarHBondContact CD2-ND2 3.5Å; Y1314-N1318 HydrophobicContact CE1-CB 4.26Å; Y1314-N1318 VanDerWaalsContact CE2-ND2 3.28Å; Y1314-N1318 WeakPolarHBondContact CE2-ND2 3.27Å; Y1314-N1318 WeakPolarHBondContact O-CB 3.29Å; Y1314-N1318 PolarHBondContact O-N 2.89Å; Y1314-N1318 PolarHBondContact O-ND2 3.36Å; L1315-N1318 VanDerWaalsContact O-O 3.07Å; N1318-K1358 PolarHBondContact O-NZ 2.82Å |
| 1319 | P | 88.3 | Confident | 88.4 | Confident | 48 Ų | 48 | 64.9 Ų | 64.9 | 31% | 0.312 | 35% | 0.349 | S | S | . | . | trans | -67.7 | 139.8 | 175.7 | 28.1 | -33.4 | 0 | 0 | 0 | 111.2 | S1321 Q1322 D1355 | P1319-S1321 PolarHBondContact O-N 3.3Å; P1319-Q1322 HydrophobicContact CG-CG 3.93Å; P1319-Q1322 WeakPolarHBondContact O-CB 3.48Å; P1319-Q1322 PolarHBondContact O-N 2.91Å; P1319-D1355 VanDerWaalsContact CA-OD1 3.31Å; P1319-D1355 WeakPolarHBondContact CA-OD1 3.49Å | ||
| 1320 | V | 88.4 | Confident | 88.4 | Confident | 16 Ų | 16 | 64.7 Ų | 64.7 | 10% | 0.097 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -56.5 | -32.2 | -170.6 | -177.9 | 0 | 0 | 0 | 0 | 111.9 | L1315 Q1322 L1323 V1353 D1355 K1358 | L1315-V1320 HydrophobicContact CD1-CG2 4.08Å; V1320-Q1322 PolarHBondContact O-N 3.36Å; V1320-Q1322 VanDerWaalsContact O-N 3.11Å; V1320-L1323 HydrophobicContact CB-CD1 4.45Å; V1320-L1323 HydrophobicContact CG1-CD1 3.9Å; V1320-L1323 WeakPolarHBondContact O-CB 3.44Å; V1320-L1323 WeakPolarHBondContact O-CD1 3.33Å; V1320-L1323 WeakPolarHBondContact O-CG 3.21Å; V1320-L1323 PolarHBondContact O-N 3.06Å; V1320-V1353 HydrophobicContact CG2-CG1 4.38Å; V1320-D1355 PolarHBondContact N-OD1 3.46Å; V1320-D1355 PolarHBondContact N-OD2 3.39Å; V1320-K1358 HydrophobicContact CG2-CB 4.29Å; V1320-K1358 HydrophobicContact CG2-CD 3.87Å |
| 1321 | S | 85.5 | Confident | 88.4 | Confident | 107 Ų | 107 | 60.1 Ų | 60.1 | 75% | 0.748 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -62.2 | -14.4 | 177.5 | 56 | 0 | 0 | 0 | 0 | 115.5 | P1319 | P1319-S1321 PolarHBondContact O-N 3.3Š|
| 1322 | Q | 86.4 | Confident | 88.2 | Confident | 116 Ų | 116 | 61.6 Ų | 61.6 | 54% | 0.542 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -85.8 | -12.2 | 176.8 | -71.3 | 178.1 | 6.9 | 0 | 0 | 114 | P1319 V1320 G1324 | P1319-Q1322 HydrophobicContact CG-CG 3.93Å; P1319-Q1322 WeakPolarHBondContact O-CB 3.48Å; P1319-Q1322 PolarHBondContact O-N 2.91Å; V1320-Q1322 PolarHBondContact O-N 3.36Å; V1320-Q1322 VanDerWaalsContact O-N 3.11Å; Q1322-G1324 VanDerWaalsContact C-N 3.29Å; Q1322-G1324 PolarHBondContact O-N 2.96Å |
| 1323 | L | 83.5 | Confident | 87.7 | Confident | 31 Ų | 31 | 62 Ų | 62 | 16% | 0.162 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -68.6 | -26.4 | -177.1 | -64.5 | 163.1 | 0 | 0 | 0 | 113.2 | Y1314 L1315 V1320 Y1325 I1327 | Y1314-L1323 HydrophobicContact CD1-CD2 3.94Å; Y1314-L1323 HydrophobicContact CE1-CD2 3.85Å; L1315-L1323 HydrophobicContact CD1-CD1 3.74Å; V1320-L1323 HydrophobicContact CB-CD1 4.45Å; V1320-L1323 HydrophobicContact CG1-CD1 3.9Å; V1320-L1323 WeakPolarHBondContact O-CB 3.44Å; V1320-L1323 WeakPolarHBondContact O-CD1 3.33Å; V1320-L1323 WeakPolarHBondContact O-CG 3.21Å; V1320-L1323 PolarHBondContact O-N 3.06Å; L1323-Y1325 VanDerWaalsContact C-N 3.27Å; L1323-Y1325 HydrophobicContact CB-CD1 4.28Å; L1323-Y1325 HydrophobicContact CB-CE1 4.02Å; L1323-Y1325 WeakPolarHBondContact O-CD1 3.41Å; L1323-Y1325 WeakPolarHBondContact O-CE1 3.39Å; L1323-Y1325 PolarHBondContact O-N 2.85Å; L1323-I1327 HydrophobicContact CD1-CD1 3.83Å |
| 1324 | G | 81.5 | Confident | 87 | Confident | 78 Ų | 78 | 63.6 Ų | 63.6 | 80% | 0.804 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 79.5 | 1.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q1322 | Q1322-G1324 VanDerWaalsContact C-N 3.29Å; Q1322-G1324 PolarHBondContact O-N 2.96Å |
| 1325 | Y | 85.1 | Confident | 85.9 | Confident | 148 Ų | 148 | 59.8 Ų | 59.8 | 58% | 0.58 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -144.1 | 149.2 | 174 | 57.7 | -85.4 | 0 | 0 | 0 | 110.5 | L1323 I1327 | L1323-Y1325 VanDerWaalsContact C-N 3.27Å; L1323-Y1325 HydrophobicContact CB-CD1 4.28Å; L1323-Y1325 HydrophobicContact CB-CE1 4.02Å; L1323-Y1325 WeakPolarHBondContact O-CD1 3.41Å; L1323-Y1325 WeakPolarHBondContact O-CE1 3.39Å; L1323-Y1325 PolarHBondContact O-N 2.85Å; Y1325-I1327 HydrophobicContact CD2-CG1 3.88Å; Y1325-I1327 HydrophobicContact CE2-CD1 3.79Å; Y1325-I1327 HydrophobicContact CE2-CG1 3.58Å |
| 1326 | D | 84.2 | Confident | 84.7 | Confident | 142 Ų | 142 | 64.4 Ų | 64.4 | 76% | 0.759 | 35% | 0.346 | S | S | * | . | trans | -78.3 | 134.4 | 175.6 | -68.6 | -46.5 | 0 | 0 | 0 | 110.7 | L1352 | D1326-L1352 HydrophobicContact CB-CD2 3.95Š| ||
| 1327 | I | 89.4 | Confident | 83.6 | Confident | 22 Ų | 22 | 65.3 Ų | 65.3 | 11% | 0.113 | 36% | 0.363 | C | S | . | . | trans | -106.1 | 142.2 | 172.4 | -57.5 | 179.8 | 0 | 0 | 0 | 108.4 | L1323 Y1325 V1353 Y1361 | L1323-I1327 HydrophobicContact CD1-CD1 3.83Å; Y1325-I1327 HydrophobicContact CD2-CG1 3.88Å; Y1325-I1327 HydrophobicContact CE2-CD1 3.79Å; Y1325-I1327 HydrophobicContact CE2-CG1 3.58Å; I1327-V1353 HydrophobicContact CB-CB 4.03Å; I1327-V1353 HydrophobicContact CB-CG2 3.96Å; I1327-V1353 HydrophobicContact CG2-CB 4.23Å; I1327-V1353 HydrophobicContact CG2-CG2 3.62Å; I1327-V1353 PolarHBondContact O-N 2.98Å; I1327-Y1361 HydrophobicContact CG2-CD2 4.45Å; I1327-Y1361 HydrophobicContact CG2-CE1 3.99Å; I1327-Y1361 HydrophobicContact CG2-CE2 3.7Å; I1327-Y1361 VanDerWaalsContact CG2-CZ 3.42Å; I1327-Y1361 WeakPolarHBondContact CG2-OH 3.3Å | ||
| 1328 | T | 92.6 | Very high | 83 | Confident | 39 Ų | 39 | 63.2 Ų | 63.2 | 24% | 0.239 | 36% | 0.36 | C | S | . | . | B | Isolated β-bridge | trans | -113.8 | 166.7 | 173.6 | 63.7 | 0 | 0 | 0 | 0 | 110.4 | S1330 R1349 T1351 L1352 Y1361 | T1328-S1330 PolarHBondContact O-N 2.78Å; T1328-S1330 PolarHBondContact OG1-OG 2.85Å; T1328-R1349 WeakPolarHBondContact CG2-O 3.14Å; T1328-T1351 CarbonylContact C-O 3.52Å; T1328-T1351 VanDerWaalsContact CA-O 3.25Å; T1328-T1351 WeakPolarHBondContact CA-O 3.19Å; T1328-L1352 HydrophobicContact CG2-CD2 4.28Å; T1328-Y1361 WeakPolarHBondContact O-CE2 3.07Å |
| 1329 | F | 93.8 | Very high | 82.6 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -75.5 | 50.2 | 170.6 | -80 | -108.4 | 0 | 0 | 0 | 111.7 | L1344 K1345 G1348 T1351 V1353 N1357 E1360 Y1361 L1364 | F1329-L1344 HydrophobicContact CB-CB 4.43Å; F1329-L1344 WeakPolarHBondContact O-CB 3.49Å; F1329-L1344 PolarHBondContact O-N 3.31Å; F1329-K1345 HydrophobicContact CB-CD 4.41Å; F1329-K1345 HydrophobicContact CB-CG 4.17Å; F1329-K1345 HydrophobicContact CD1-CD 3.55Å; F1329-K1345 VanDerWaalsContact CD1-CE 3.46Å; F1329-K1345 HydrophobicContact CD1-CG 4.09Å; F1329-K1345 HydrophobicContact CE1-CD 3.93Å; F1329-K1345 HydrophobicContact CG-CD 4.06Å; F1329-K1345 HydrophobicContact CG-CG 4.36Å; F1329-G1348 CarbonylContact C-O 3.58Å; F1329-G1348 WeakPolarHBondContact CA-O 3.25Å; F1329-G1348 PolarHBondContact N-O 2.89Å; F1329-G1348 CarbonylContact O-C 3.59Å; F1329-G1348 WeakPolarHBondContact O-CA 3.18Å; F1329-T1351 HydrophobicContact CD2-CG2 3.73Å; F1329-T1351 HydrophobicContact CE2-CG2 4.07Å; F1329-T1351 HydrophobicContact CG-CG2 4.43Å; F1329-T1351 PolarHBondContact N-O 3.32Å; F1329-V1353 HydrophobicContact CD2-CG2 3.91Å; F1329-V1353 HydrophobicContact CE2-CG2 3.88Å; F1329-N1357 HydrophobicContact CE2-CB 4.35Å; F1329-N1357 WeakPolarHBondContact CE2-OD1 3.36Å; F1329-N1357 HydrophobicContact CZ-CB 4.03Å; F1329-E1360 HydrophobicContact CE1-CB 4.1Å; F1329-E1360 HydrophobicContact CE1-CG 3.96Å; F1329-E1360 HydrophobicContact CZ-CB 4.2Å; F1329-E1360 HydrophobicContact CZ-CG 4.42Å; F1329-Y1361 HydrophobicContact CD1-CD2 4.34Å; F1329-Y1361 VanDerWaalsContact CE1-CA 3.49Å; F1329-Y1361 HydrophobicContact CG-CD2 4.31Å; F1329-L1364 HydrophobicContact CD1-CD1 3.91Å; F1329-L1364 HydrophobicContact CE1-CD1 3.99Å |
| 1330 | S | 90.4 | Very high | 82.3 | Confident | 16 Ų | 16 | 69.8 Ų | 69.8 | 11% | 0.112 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 151.2 | 171.6 | 66.3 | 0 | 0 | 0 | 0 | 111.2 | T1328 R1342 | T1328-S1330 PolarHBondContact O-N 2.78Å; T1328-S1330 PolarHBondContact OG1-OG 2.85Å; S1330-R1342 CarbonylContact C-O 3.44Å; S1330-R1342 VanDerWaalsContact CA-O 3.24Å; S1330-R1342 WeakPolarHBondContact CA-O 3.35Å |
| 1331 | L | 87.8 | Confident | 82.2 | Confident | 16 Ų | 16 | 72.4 Ų | 72.4 | 8% | 0.084 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 134.3 | -173.2 | -178 | 68.2 | 0 | 0 | 0 | 110.4 | V1333 R1342 L1344 M1368 K1369 | L1331-V1333 HydrophobicContact CD2-CG2 4.18Å; L1331-V1333 HydrophobicContact CG-CG2 4.25Å; L1331-V1333 PolarHBondContact O-N 3.14Å; L1331-R1342 PolarHBondContact N-O 2.9Å; L1331-R1342 PolarHBondContact O-N 2.63Å; L1331-L1344 HydrophobicContact CB-CD1 4.49Å; L1331-L1344 HydrophobicContact CB-CD2 3.98Å; L1331-L1344 HydrophobicContact CB-CG 4.34Å; L1331-L1344 HydrophobicContact CD2-CD2 4.42Å; L1331-M1368 HydrophobicContact CD2-CB 4.09Å; L1331-M1368 HydrophobicContact CD2-CG 3.89Å; L1331-K1369 HydrophobicContact CD2-CD 4.34Å; L1331-K1369 HydrophobicContact CD2-CG 4.05Å |
| 1332 | E | 85.9 | Confident | 82.2 | Confident | 104 Ų | 104 | 70.6 Ų | 70.6 | 49% | 0.486 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 118.6 | 168.9 | -167.9 | -179.8 | 172 | 0 | 0 | 109 | R1339 D1340 L1341 | E1332-R1339 HydrophobicContact CG-CB 4.43Å; E1332-R1339 VanDerWaalsContact OE1-CD 3.25Å; E1332-R1339 WeakPolarHBondContact OE1-CD 3.29Å; E1332-R1339 IonicContact OE1-CZ 2.77Å; E1332-R1339 IonicContact OE1-NE 3.22Å; E1332-R1339 IonicContact OE1-NH1 2.81Å; E1332-R1339 PolarHBondContact OE1-NH1 3.4Å; E1332-D1340 WeakPolarHBondContact CA-O 3.4Å; E1332-L1341 HydrophobicContact CB-CD1 4.39Å |
| 1333 | V | 79.6 | Confident | 82.4 | Confident | 12 Ų | 12 | 67.9 Ų | 67.9 | 7% | 0.073 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 126 | 178.5 | -178.5 | 0 | 0 | 0 | 0 | 107.8 | L1331 E1335 D1340 R1342 M1368 | L1331-V1333 HydrophobicContact CD2-CG2 4.18Å; L1331-V1333 HydrophobicContact CG-CG2 4.25Å; L1331-V1333 PolarHBondContact O-N 3.14Å; V1333-E1335 HydrophobicContact CG1-CG 4.03Å; V1333-D1340 PolarHBondContact N-O 3.37Å; V1333-D1340 PolarHBondContact O-N 3.04Å; V1333-R1342 HydrophobicContact CG2-CB 4.45Å; V1333-R1342 HydrophobicContact CG2-CG 4.49Å; V1333-M1368 HydrophobicContact CG2-CG 4.05Å |
| 1334 | E | 74.3 | Confident | 82.7 | Confident | 107 Ų | 107 | 67.2 Ų | 67.2 | 50% | 0.5 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 103.6 | 174.2 | -166.6 | 170.3 | 141.5 | 0 | 0 | 108.6 | V1338 R1339 | E1334-V1338 WeakPolarHBondContact CA-O 3.28Å; E1334-R1339 HydrophobicContact CB-CG 4.13Å; E1334-R1339 HydrophobicContact CG-CG 3.9Å; E1334-R1339 IonicContact OE2-CZ 2.72Å; E1334-R1339 IonicContact OE2-NE 2.76Å; E1334-R1339 PolarHBondContact OE2-NE 3.03Å; E1334-R1339 IonicContact OE2-NH2 3.79Å; E1334-R1339 PolarHBondContact OE2-NH2 2.91Å |
| 1335 | E | 67.5 | Low | 83 | Confident | 33 Ų | 33 | 66 Ų | 66 | 15% | 0.154 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 130.5 | 179.1 | -96.3 | 174.7 | -146.5 | 0 | 0 | 109.2 | V1333 G1337 V1338 R1342 A1373 | V1333-E1335 HydrophobicContact CG1-CG 4.03Å; E1335-G1337 PolarHBondContact O-N 3.46Å; E1335-G1337 VanDerWaalsContact O-N 3.14Å; E1335-V1338 PolarHBondContact N-O 3.36Å; E1335-V1338 WeakPolarHBondContact O-CB 3.31Å; E1335-V1338 PolarHBondContact O-N 3.01Å; E1335-R1342 IonicContact OE1-CZ 3.74Å; E1335-R1342 IonicContact OE1-NH1 2.93Å; E1335-R1342 PolarHBondContact OE1-NH1 3.38Å; E1335-R1342 IonicContact OE1-NH2 2.79Å; E1335-R1342 IonicContact OE2-CZ 3.07Å; E1335-R1342 VanDerWaalsContact OE2-CZ 3.27Å; E1335-R1342 IonicContact OE2-NH1 3.78Å; E1335-R1342 PolarHBondContact OE2-NH1 3.02Å; E1335-R1342 IonicContact OE2-NH2 2.83Å; E1335-R1342 PolarHBondContact OE2-NH2 3.28Å; E1335-A1373 HydrophobicContact CG-CB 4.13Å |
| 1336 | F | 64.7 | Low | 83.1 | Confident | 103 Ų | 103 | 66.1 Ų | 66.1 | 45% | 0.452 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 26.3 | -174.8 | -48.8 | -83.8 | 0 | 0 | 0 | 114.2 | Y1253 V1338 | Y1253-F1336 AromaticContact CD1-CD1 3.51Å; Y1253-F1336 HydrophobicContact CD1-CD1 3.51Å; Y1253-F1336 AromaticContact CD1-CE1 3.75Å; Y1253-F1336 HydrophobicContact CD1-CE1 3.75Å; Y1253-F1336 HydrophobicContact CD1-CG 4.45Å; Y1253-F1336 AromaticContact CD2-CD1 3.99Å; Y1253-F1336 HydrophobicContact CD2-CD1 3.99Å; Y1253-F1336 AromaticContact CE1-CD1 3.9Å; Y1253-F1336 HydrophobicContact CE1-CD1 3.9Å; Y1253-F1336 HydrophobicContact CE1-CG 4.47Å; Y1253-F1336 HydrophobicContact CE2-CD1 4.35Å; Y1253-F1336 AromaticContact CG-CD1 3.57Å; Y1253-F1336 HydrophobicContact CG-CD1 3.57Å; Y1253-F1336 AromaticContact CG-CE1 3.79Å; Y1253-F1336 HydrophobicContact CG-CE1 3.79Å; F1336-V1338 PolarHBondContact O-N 3.38Å |
| 1337 | G | 68.8 | Low | 83.2 | Confident | 51 Ų | 51 | 65 Ų | 65 | 53% | 0.526 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 3.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | E1335 | E1335-G1337 PolarHBondContact O-N 3.46Å; E1335-G1337 VanDerWaalsContact O-N 3.14Å |
| 1338 | V | 76.4 | Confident | 83.2 | Confident | 97 Ų | 97 | 64 Ų | 64 | 59% | 0.588 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 123.5 | 173.5 | -176.7 | 0 | 0 | 0 | 0 | 109 | E1334 E1335 F1336 | E1334-V1338 WeakPolarHBondContact CA-O 3.28Å; E1335-V1338 PolarHBondContact N-O 3.36Å; E1335-V1338 WeakPolarHBondContact O-CB 3.31Å; E1335-V1338 PolarHBondContact O-N 3.01Å; F1336-V1338 PolarHBondContact O-N 3.38Å |
| 1339 | R | 80.6 | Confident | 83 | Confident | 164 Ų | 164 | 68.3 Ų | 68.3 | 62% | 0.619 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84 | 117.6 | 172.7 | -72.5 | 165.9 | 171.9 | -118.4 | -4.9 | 110 | E1332 E1334 | E1332-R1339 HydrophobicContact CG-CB 4.43Å; E1332-R1339 VanDerWaalsContact OE1-CD 3.25Å; E1332-R1339 WeakPolarHBondContact OE1-CD 3.29Å; E1332-R1339 IonicContact OE1-CZ 2.77Å; E1332-R1339 IonicContact OE1-NE 3.22Å; E1332-R1339 IonicContact OE1-NH1 2.81Å; E1332-R1339 PolarHBondContact OE1-NH1 3.4Å; E1334-R1339 HydrophobicContact CB-CG 4.13Å; E1334-R1339 HydrophobicContact CG-CG 3.9Å; E1334-R1339 IonicContact OE2-CZ 2.72Å; E1334-R1339 IonicContact OE2-NE 2.76Å; E1334-R1339 PolarHBondContact OE2-NE 3.03Å; E1334-R1339 IonicContact OE2-NH2 3.79Å; E1334-R1339 PolarHBondContact OE2-NH2 2.91Å |
| 1340 | D | 81.9 | Confident | 82.7 | Confident | 64 Ų | 64 | 73.2 Ų | 73.2 | 34% | 0.342 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 141.6 | 178.9 | 178.6 | 30.3 | 0 | 0 | 0 | 109.9 | E1332 V1333 R1342 | E1332-D1340 WeakPolarHBondContact CA-O 3.4Å; V1333-D1340 PolarHBondContact N-O 3.37Å; V1333-D1340 PolarHBondContact O-N 3.04Å; D1340-R1342 WeakPolarHBondContact OD2-CG 3.36Å; D1340-R1342 IonicContact OD2-CZ 2.78Å; D1340-R1342 IonicContact OD2-NE 2.76Å; D1340-R1342 PolarHBondContact OD2-NE 3.26Å; D1340-R1342 IonicContact OD2-NH2 2.72Å |
| 1341 | L | 85.8 | Confident | 82.7 | Confident | 70 Ų | 70 | 74.5 Ų | 74.5 | 37% | 0.366 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 98.7 | 179.9 | -171.7 | 81.8 | 0 | 0 | 0 | 109 | E1332 R1349 | E1332-L1341 HydrophobicContact CB-CD1 4.39Å; L1341-R1349 HydrophobicContact CD2-CG 4.14Å; L1341-R1349 PolarHBondContact O-NH2 3.07Å |
| 1342 | R | 85.6 | Confident | 82.9 | Confident | 69 Ų | 69 | 78.1 Ų | 78.1 | 26% | 0.26 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 127 | -172.6 | -66 | -172.3 | 178 | 167 | 6.1 | 112.1 | S1330 L1331 V1333 E1335 D1340 L1344 | S1330-R1342 CarbonylContact C-O 3.44Å; S1330-R1342 VanDerWaalsContact CA-O 3.24Å; S1330-R1342 WeakPolarHBondContact CA-O 3.35Å; L1331-R1342 PolarHBondContact N-O 2.9Å; L1331-R1342 PolarHBondContact O-N 2.63Å; V1333-R1342 HydrophobicContact CG2-CB 4.45Å; V1333-R1342 HydrophobicContact CG2-CG 4.49Å; E1335-R1342 IonicContact OE1-CZ 3.74Å; E1335-R1342 IonicContact OE1-NH1 2.93Å; E1335-R1342 PolarHBondContact OE1-NH1 3.38Å; E1335-R1342 IonicContact OE1-NH2 2.79Å; E1335-R1342 IonicContact OE2-CZ 3.07Å; E1335-R1342 VanDerWaalsContact OE2-CZ 3.27Å; E1335-R1342 IonicContact OE2-NH1 3.78Å; E1335-R1342 PolarHBondContact OE2-NH1 3.02Å; E1335-R1342 IonicContact OE2-NH2 2.83Å; E1335-R1342 PolarHBondContact OE2-NH2 3.28Å; D1340-R1342 WeakPolarHBondContact OD2-CG 3.36Å; D1340-R1342 IonicContact OD2-CZ 2.78Å; D1340-R1342 IonicContact OD2-NE 2.76Å; D1340-R1342 PolarHBondContact OD2-NE 3.26Å; D1340-R1342 IonicContact OD2-NH2 2.72Å; R1342-L1344 PolarHBondContact O-N 3.43Å |
| 1343 | D | 90.8 | Very high | 83.2 | Confident | 59 Ų | 59 | 73.6 Ų | 73.6 | 32% | 0.316 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 122.6 | 170.2 | -68 | 61.8 | 0 | 0 | 0 | 109.4 | K1345 G1348 R1349 | D1343-K1345 VanDerWaalsContact C-N 3.25Å; D1343-K1345 PolarHBondContact O-N 2.84Å; D1343-G1348 WeakPolarHBondContact OD2-CA 3.45Å; D1343-G1348 PolarHBondContact OD2-N 3.46Å; D1343-R1349 VanDerWaalsContact OD1-CD 3.26Å; D1343-R1349 WeakPolarHBondContact OD1-CD 3.49Å; D1343-R1349 WeakPolarHBondContact OD1-CG 3.48Å; D1343-R1349 IonicContact OD1-CZ 2.67Å; D1343-R1349 IonicContact OD1-NE 3.7Å; D1343-R1349 PolarHBondContact OD1-NE 2.85Å; D1343-R1349 IonicContact OD1-NH2 3.96Å; D1343-R1349 WeakPolarHBondContact OD2-CG 3.28Å; D1343-R1349 PolarHBondContact OD2-N 2.94Å |
| 1344 | L | 89.4 | Confident | 83.8 | Confident | 17 Ų | 17 | 76.1 Ų | 76.1 | 9% | 0.089 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -75.4 | -17.7 | -177.6 | -64.6 | 172 | 0 | 0 | 0 | 112.8 | F1329 L1331 R1342 Y1361 L1364 V1365 M1368 | F1329-L1344 HydrophobicContact CB-CB 4.43Å; F1329-L1344 WeakPolarHBondContact O-CB 3.49Å; F1329-L1344 PolarHBondContact O-N 3.31Å; L1331-L1344 HydrophobicContact CB-CD1 4.49Å; L1331-L1344 HydrophobicContact CB-CD2 3.98Å; L1331-L1344 HydrophobicContact CB-CG 4.34Å; L1331-L1344 HydrophobicContact CD2-CD2 4.42Å; R1342-L1344 PolarHBondContact O-N 3.43Å; L1344-Y1361 HydrophobicContact CD1-CD2 3.86Å; L1344-Y1361 HydrophobicContact CD1-CE2 3.75Å; L1344-L1364 HydrophobicContact CB-CB 4.06Å; L1344-L1364 HydrophobicContact CB-CD1 4.35Å; L1344-V1365 HydrophobicContact CD1-CG2 3.46Å; L1344-V1365 VanDerWaalsContact CD1-CG2 3.46Å; L1344-M1368 HydrophobicContact CD2-CB 3.76Å; L1344-M1368 HydrophobicContact CD2-CE 4.29Å; L1344-M1368 HydrophobicContact CD2-CG 4.02Å |
| 1345 | K | 89.5 | Confident | 84.6 | Confident | 53 Ų | 53 | 74.7 Ų | 74.7 | 23% | 0.23 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -154.4 | 172.9 | 173.2 | 68.6 | -169.9 | -172.4 | -169.8 | 0 | 109.2 | F1329 D1343 N1347 G1348 E1360 L1364 | F1329-K1345 HydrophobicContact CB-CD 4.41Å; F1329-K1345 HydrophobicContact CB-CG 4.17Å; F1329-K1345 HydrophobicContact CD1-CD 3.55Å; F1329-K1345 VanDerWaalsContact CD1-CE 3.46Å; F1329-K1345 HydrophobicContact CD1-CG 4.09Å; F1329-K1345 HydrophobicContact CE1-CD 3.93Å; F1329-K1345 HydrophobicContact CG-CD 4.06Å; F1329-K1345 HydrophobicContact CG-CG 4.36Å; D1343-K1345 VanDerWaalsContact C-N 3.25Å; D1343-K1345 PolarHBondContact O-N 2.84Å; K1345-N1347 PolarHBondContact O-N 2.78Å; K1345-G1348 WeakPolarHBondContact O-CA 3.33Å; K1345-G1348 PolarHBondContact O-N 3.46Å; K1345-E1360 WeakPolarHBondContact CD-OE1 3.28Å; K1345-E1360 WeakPolarHBondContact CE-OE1 3.43Å; K1345-E1360 IonicContact NZ-OE1 2.72Å; K1345-E1360 PolarHBondContact NZ-OE1 2.91Å; K1345-E1360 IonicContact NZ-OE2 2.62Å; K1345-E1360 PolarHBondContact NZ-OE2 3.12Å; K1345-L1364 HydrophobicContact CB-CD1 4.29Å; K1345-L1364 HydrophobicContact CD-CD1 4.25Å |
| 1346 | E | 86.6 | Confident | 85.7 | Confident | 150 Ų | 150 | 79.9 Ų | 79.9 | 70% | 0.701 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 128.4 | 178.1 | -61 | -175.8 | 178.1 | 0 | 0 | 112 | G1348 | E1346-G1348 PolarHBondContact O-N 3.41Š|
| 1347 | N | 86.2 | Confident | 87 | Confident | 119 Ų | 119 | 76.4 Ų | 76.4 | 64% | 0.636 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 35.2 | -173.5 | -51.5 | -70.6 | 0 | 0 | 0 | 113.7 | K1345 R1349 S1350 T1351 | K1345-N1347 PolarHBondContact O-N 2.78Å; N1347-R1349 PolarHBondContact O-N 3.45Å; N1347-S1350 CarbonylContact O-C 3.49Å; N1347-S1350 PolarHBondContact O-N 2.93Å; N1347-T1351 PolarHBondContact O-N 3.47Å; N1347-T1351 VanDerWaalsContact O-N 3.13Å; N1347-T1351 PolarHBondContact O-OG1 2.91Å |
| 1348 | G | 88.4 | Confident | 88.1 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -56.5 | -43.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | F1329 D1343 K1345 E1346 S1350 T1351 | F1329-G1348 CarbonylContact C-O 3.58Å; F1329-G1348 WeakPolarHBondContact CA-O 3.25Å; F1329-G1348 PolarHBondContact N-O 2.89Å; F1329-G1348 CarbonylContact O-C 3.59Å; F1329-G1348 WeakPolarHBondContact O-CA 3.18Å; D1343-G1348 WeakPolarHBondContact OD2-CA 3.45Å; D1343-G1348 PolarHBondContact OD2-N 3.46Å; K1345-G1348 WeakPolarHBondContact O-CA 3.33Å; K1345-G1348 PolarHBondContact O-N 3.46Å; E1346-G1348 PolarHBondContact O-N 3.41Å; G1348-S1350 PolarHBondContact O-N 3.3Å; G1348-T1351 PolarHBondContact O-N 3.44Å |
| 1349 | R | 88.9 | Confident | 88.8 | Confident | 131 Ų | 131 | 74.8 Ų | 74.8 | 49% | 0.494 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -57.2 | -27.3 | 173 | -71.7 | 167.4 | -166.4 | -145.9 | 4.4 | 113.7 | T1328 L1341 D1343 N1347 | T1328-R1349 WeakPolarHBondContact CG2-O 3.14Å; L1341-R1349 HydrophobicContact CD2-CG 4.14Å; L1341-R1349 PolarHBondContact O-NH2 3.07Å; D1343-R1349 VanDerWaalsContact OD1-CD 3.26Å; D1343-R1349 WeakPolarHBondContact OD1-CD 3.49Å; D1343-R1349 WeakPolarHBondContact OD1-CG 3.48Å; D1343-R1349 IonicContact OD1-CZ 2.67Å; D1343-R1349 IonicContact OD1-NE 3.7Å; D1343-R1349 PolarHBondContact OD1-NE 2.85Å; D1343-R1349 IonicContact OD1-NH2 3.96Å; D1343-R1349 WeakPolarHBondContact OD2-CG 3.28Å; D1343-R1349 PolarHBondContact OD2-N 2.94Å; N1347-R1349 PolarHBondContact O-N 3.45Å |
| 1350 | S | 87.5 | Confident | 89.3 | Confident | 102 Ų | 102 | 70.9 Ų | 70.9 | 71% | 0.713 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -95.9 | -8.1 | 178.9 | -57.3 | 0 | 0 | 0 | 0 | 113.3 | N1347 G1348 | N1347-S1350 CarbonylContact O-C 3.49Å; N1347-S1350 PolarHBondContact O-N 2.93Å; G1348-S1350 PolarHBondContact O-N 3.3Å |
| 1351 | T | 91.4 | Very high | 89.9 | Confident | 43 Ų | 43 | 68.9 Ų | 68.9 | 26% | 0.264 | 35% | 0.345 | S | S | . | . | trans | -98.5 | 113.3 | -178.9 | -54.3 | 0 | 0 | 0 | 0 | 109.9 | T1328 F1329 N1347 G1348 | T1328-T1351 CarbonylContact C-O 3.52Å; T1328-T1351 VanDerWaalsContact CA-O 3.25Å; T1328-T1351 WeakPolarHBondContact CA-O 3.19Å; F1329-T1351 HydrophobicContact CD2-CG2 3.73Å; F1329-T1351 HydrophobicContact CE2-CG2 4.07Å; F1329-T1351 HydrophobicContact CG-CG2 4.43Å; F1329-T1351 PolarHBondContact N-O 3.32Å; N1347-T1351 PolarHBondContact O-N 3.47Å; N1347-T1351 VanDerWaalsContact O-N 3.13Å; N1347-T1351 PolarHBondContact O-OG1 2.91Å; G1348-T1351 PolarHBondContact O-N 3.44Å | ||
| 1352 | L | 91.8 | Very high | 90.2 | Very high | 92 Ų | 92 | 65.6 Ų | 65.6 | 48% | 0.482 | 33% | 0.327 | S | S | . | . | B | Isolated β-bridge | trans | -72.5 | 144.3 | 174.9 | -71.1 | 168.3 | 0 | 0 | 0 | 111.8 | D1326 T1328 N1357 | D1326-L1352 HydrophobicContact CB-CD2 3.95Å; T1328-L1352 HydrophobicContact CG2-CD2 4.28Å; L1352-N1357 PolarHBondContact O-ND2 3.24Å |
| 1353 | V | 91.9 | Very high | 90.3 | Very high | 10 Ų | 10 | 66 Ų | 66 | 6% | 0.061 | 34% | 0.335 | C | S | . | . | trans | -77.2 | 137.4 | 167.8 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | V1320 I1327 F1329 N1357 K1358 Y1361 | V1320-V1353 HydrophobicContact CG2-CG1 4.38Å; I1327-V1353 HydrophobicContact CB-CB 4.03Å; I1327-V1353 HydrophobicContact CB-CG2 3.96Å; I1327-V1353 HydrophobicContact CG2-CB 4.23Å; I1327-V1353 HydrophobicContact CG2-CG2 3.62Å; I1327-V1353 PolarHBondContact O-N 2.98Å; F1329-V1353 HydrophobicContact CD2-CG2 3.91Å; F1329-V1353 HydrophobicContact CE2-CG2 3.88Å; V1353-N1357 VanDerWaalsContact CA-OD1 3.29Å; V1353-N1357 WeakPolarHBondContact CA-OD1 3.42Å; V1353-K1358 HydrophobicContact CG1-CB 3.86Å; V1353-Y1361 HydrophobicContact CG1-CD1 4.45Å; V1353-Y1361 HydrophobicContact CG1-CG 4.33Å; V1353-Y1361 HydrophobicContact CG2-CD1 4.2Å; V1353-Y1361 HydrophobicContact CG2-CD2 3.5Å; V1353-Y1361 HydrophobicContact CG2-CE2 4.03Å; V1353-Y1361 HydrophobicContact CG2-CG 3.6Å | ||
| 1354 | T | 91.8 | Very high | 90.3 | Very high | 65 Ų | 65 | 65.8 Ų | 65.8 | 40% | 0.399 | 33% | 0.333 | S | S | . | . | trans | -142.1 | 160.3 | -177.9 | 62.7 | 0 | 0 | 0 | 0 | 108.7 | Q1356 N1357 K1358 | T1354-Q1356 PolarHBondContact O-N 3.06Å; T1354-N1357 PolarHBondContact N-OD1 3.03Å; T1354-N1357 CarbonylContact O-C 3.55Å; T1354-N1357 PolarHBondContact O-N 3.22Å; T1354-N1357 PolarHBondContact O-OD1 3.18Å; T1354-N1357 VanDerWaalsContact OG1-CG 3.25Å; T1354-N1357 PolarHBondContact OG1-ND2 2.86Å; T1354-N1357 PolarHBondContact OG1-OD1 3.38Å; T1354-K1358 WeakPolarHBondContact O-CB 3.3Å; T1354-K1358 PolarHBondContact O-N 2.79Å | ||
| 1355 | D | 90.6 | Very high | 90.4 | Very high | 77 Ų | 77 | 65 Ų | 65 | 41% | 0.412 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -22.6 | 179 | -77.4 | -70 | 0 | 0 | 0 | 114.5 | P1319 V1320 K1358 | P1319-D1355 VanDerWaalsContact CA-OD1 3.31Å; P1319-D1355 WeakPolarHBondContact CA-OD1 3.49Å; V1320-D1355 PolarHBondContact N-OD1 3.46Å; V1320-D1355 PolarHBondContact N-OD2 3.39Å; D1355-K1358 WeakPolarHBondContact OD1-CD 3.42Å; D1355-K1358 VanDerWaalsContact OD1-CE 3.28Å; D1355-K1358 WeakPolarHBondContact OD1-CE 3.28Å; D1355-K1358 IonicContact OD1-NZ 2.79Å; D1355-K1358 PolarHBondContact OD1-NZ 3.11Å |
| 1356 | Q | 91.1 | Very high | 90.4 | Very high | 141 Ų | 141 | 62.4 Ų | 62.4 | 66% | 0.659 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -22.3 | 175.4 | -173 | 55 | 82.7 | 0 | 0 | 113.8 | T1354 | T1354-Q1356 PolarHBondContact O-N 3.06Š|
| 1357 | N | 92.6 | Very high | 90.4 | Very high | 31 Ų | 31 | 58.7 Ų | 58.7 | 17% | 0.166 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | -2.6 | -177.2 | 74.2 | 22.6 | 0 | 0 | 0 | 114.1 | F1329 L1352 V1353 T1354 Q1359 E1360 Y1361 | F1329-N1357 HydrophobicContact CE2-CB 4.35Å; F1329-N1357 WeakPolarHBondContact CE2-OD1 3.36Å; F1329-N1357 HydrophobicContact CZ-CB 4.03Å; L1352-N1357 PolarHBondContact O-ND2 3.24Å; V1353-N1357 VanDerWaalsContact CA-OD1 3.29Å; V1353-N1357 WeakPolarHBondContact CA-OD1 3.42Å; T1354-N1357 PolarHBondContact N-OD1 3.03Å; T1354-N1357 CarbonylContact O-C 3.55Å; T1354-N1357 PolarHBondContact O-N 3.22Å; T1354-N1357 PolarHBondContact O-OD1 3.18Å; T1354-N1357 VanDerWaalsContact OG1-CG 3.25Å; T1354-N1357 PolarHBondContact OG1-ND2 2.86Å; T1354-N1357 PolarHBondContact OG1-OD1 3.38Å; N1357-Q1359 PolarHBondContact O-N 2.77Å; N1357-Q1359 VanDerWaalsContact O-N 3.16Å; N1357-E1360 WeakPolarHBondContact O-CA 3.41Å; N1357-E1360 WeakPolarHBondContact O-CB 3.24Å; N1357-E1360 PolarHBondContact O-N 2.87Å; N1357-Y1361 PolarHBondContact O-N 3.17Å; N1357-Y1361 VanDerWaalsContact O-N 3.09Å |
| 1358 | K | 92.4 | Very high | 90.4 | Very high | 22 Ų | 22 | 55.2 Ų | 55.2 | 10% | 0.096 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.3 | -29.7 | -177.9 | 68.3 | -179 | -173.5 | -177.6 | 0 | 114.3 | L1315 L1316 N1318 V1320 V1353 T1354 D1355 Y1361 V1362 | L1315-K1358 HydrophobicContact CD1-CB 4.49Å; L1315-K1358 HydrophobicContact CD1-CD 4.48Å; L1315-K1358 VanDerWaalsContact O-CD 3.27Å; L1315-K1358 WeakPolarHBondContact O-CD 3.15Å; L1315-K1358 WeakPolarHBondContact O-CE 3.21Å; L1315-K1358 PolarHBondContact O-NZ 2.95Å; L1316-K1358 VanDerWaalsContact O-CE 3.29Å; L1316-K1358 WeakPolarHBondContact O-CE 3.45Å; L1316-K1358 PolarHBondContact O-NZ 2.83Å; N1318-K1358 PolarHBondContact O-NZ 2.82Å; V1320-K1358 HydrophobicContact CG2-CB 4.29Å; V1320-K1358 HydrophobicContact CG2-CD 3.87Å; V1353-K1358 HydrophobicContact CG1-CB 3.86Å; T1354-K1358 WeakPolarHBondContact O-CB 3.3Å; T1354-K1358 PolarHBondContact O-N 2.79Å; D1355-K1358 WeakPolarHBondContact OD1-CD 3.42Å; D1355-K1358 VanDerWaalsContact OD1-CE 3.28Å; D1355-K1358 WeakPolarHBondContact OD1-CE 3.28Å; D1355-K1358 IonicContact OD1-NZ 2.79Å; D1355-K1358 PolarHBondContact OD1-NZ 3.11Å; K1358-Y1361 PolarHBondContact O-N 2.91Å; K1358-V1362 WeakPolarHBondContact O-CB 3.32Å; K1358-V1362 VanDerWaalsContact O-CG2 3.27Å; K1358-V1362 WeakPolarHBondContact O-CG2 3.43Å; K1358-V1362 PolarHBondContact O-N 2.9Å |
| 1359 | Q | 90.2 | Very high | 90.2 | Very high | 92 Ų | 92 | 59.5 Ų | 59.5 | 43% | 0.43 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.5 | -37.6 | 173.1 | -167.7 | 66.4 | 59.7 | 0 | 0 | 112.4 | N1357 N1363 | N1357-Q1359 PolarHBondContact O-N 2.77Å; N1357-Q1359 VanDerWaalsContact O-N 3.16Å; Q1359-N1363 PolarHBondContact NE2-OD1 3.31Å; Q1359-N1363 WeakPolarHBondContact O-CB 2.93Å; Q1359-N1363 PolarHBondContact O-N 2.96Å; Q1359-N1363 VanDerWaalsContact O-N 3.08Å; Q1359-N1363 PolarHBondContact O-ND2 3.13Å; Q1359-N1363 PolarHBondContact O-OD1 3.26Å |
| 1360 | E | 92 | Very high | 90.1 | Very high | 82 Ų | 82 | 53.6 Ų | 53.6 | 38% | 0.383 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.2 | -45.8 | 174.7 | -169.6 | -154.6 | 158.8 | 0 | 0 | 110.2 | F1329 K1345 N1357 N1363 L1364 | F1329-E1360 HydrophobicContact CE1-CB 4.1Å; F1329-E1360 HydrophobicContact CE1-CG 3.96Å; F1329-E1360 HydrophobicContact CZ-CB 4.2Å; F1329-E1360 HydrophobicContact CZ-CG 4.42Å; K1345-E1360 WeakPolarHBondContact CD-OE1 3.28Å; K1345-E1360 WeakPolarHBondContact CE-OE1 3.43Å; K1345-E1360 IonicContact NZ-OE1 2.72Å; K1345-E1360 PolarHBondContact NZ-OE1 2.91Å; K1345-E1360 IonicContact NZ-OE2 2.62Å; K1345-E1360 PolarHBondContact NZ-OE2 3.12Å; N1357-E1360 WeakPolarHBondContact O-CA 3.41Å; N1357-E1360 WeakPolarHBondContact O-CB 3.24Å; N1357-E1360 PolarHBondContact O-N 2.87Å; E1360-N1363 PolarHBondContact O-N 2.91Å; E1360-L1364 HydrophobicContact CG-CD1 4.16Å; E1360-L1364 WeakPolarHBondContact O-CG 3.48Å; E1360-L1364 PolarHBondContact O-N 3.01Å |
| 1361 | Y | 92.8 | Very high | 90 | Very high | 22 Ų | 22 | 49.9 Ų | 49.9 | 9% | 0.086 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.8 | -51.7 | 175.5 | 171.4 | -99.3 | 0 | 0 | 0 | 111.6 | L1315 I1327 T1328 F1329 L1344 V1353 N1357 K1358 N1363 L1364 V1365 | L1315-Y1361 HydrophobicContact CD2-CD1 3.68Å; L1315-Y1361 HydrophobicContact CD2-CE1 3.69Å; I1327-Y1361 HydrophobicContact CG2-CD2 4.45Å; I1327-Y1361 HydrophobicContact CG2-CE1 3.99Å; I1327-Y1361 HydrophobicContact CG2-CE2 3.7Å; I1327-Y1361 VanDerWaalsContact CG2-CZ 3.42Å; I1327-Y1361 WeakPolarHBondContact CG2-OH 3.3Å; T1328-Y1361 WeakPolarHBondContact O-CE2 3.07Å; F1329-Y1361 HydrophobicContact CD1-CD2 4.34Å; F1329-Y1361 VanDerWaalsContact CE1-CA 3.49Å; F1329-Y1361 HydrophobicContact CG-CD2 4.31Å; L1344-Y1361 HydrophobicContact CD1-CD2 3.86Å; L1344-Y1361 HydrophobicContact CD1-CE2 3.75Å; V1353-Y1361 HydrophobicContact CG1-CD1 4.45Å; V1353-Y1361 HydrophobicContact CG1-CG 4.33Å; V1353-Y1361 HydrophobicContact CG2-CD1 4.2Å; V1353-Y1361 HydrophobicContact CG2-CD2 3.5Å; V1353-Y1361 HydrophobicContact CG2-CE2 4.03Å; V1353-Y1361 HydrophobicContact CG2-CG 3.6Å; N1357-Y1361 PolarHBondContact O-N 3.17Å; N1357-Y1361 VanDerWaalsContact O-N 3.09Å; K1358-Y1361 PolarHBondContact O-N 2.91Å; Y1361-N1363 VanDerWaalsContact C-N 3.35Å; Y1361-N1363 PolarHBondContact O-N 2.9Å; Y1361-L1364 PolarHBondContact O-N 3.15Å; Y1361-V1365 HydrophobicContact CD1-CG2 4.18Å; Y1361-V1365 HydrophobicContact CD2-CG2 3.96Å; Y1361-V1365 HydrophobicContact CE1-CG2 3.79Å; Y1361-V1365 HydrophobicContact CE2-CG2 3.53Å; Y1361-V1365 HydrophobicContact CG-CG2 4.26Å; Y1361-V1365 VanDerWaalsContact CZ-CG2 3.44Å; Y1361-V1365 WeakPolarHBondContact O-CB 3.18Å; Y1361-V1365 VanDerWaalsContact O-CG2 3.31Å; Y1361-V1365 WeakPolarHBondContact O-CG2 3.35Å; Y1361-V1365 PolarHBondContact O-N 2.87Å |
| 1362 | V | 91.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.1 | -46.9 | 178.8 | 167.2 | 0 | 0 | 0 | 0 | 111.1 | Y1298 L1312 L1315 L1316 K1358 L1364 V1365 C1366 | Y1298-V1362 HydrophobicContact CG-CG1 4.12Å; L1312-V1362 HydrophobicContact CD2-CG1 4.44Å; L1312-V1362 HydrophobicContact CD2-CG2 4.05Å; L1315-V1362 HydrophobicContact CD2-CG2 3.86Å; L1315-V1362 HydrophobicContact CG-CG2 4.48Å; L1316-V1362 HydrophobicContact CD1-CG1 4.4Å; L1316-V1362 HydrophobicContact CD2-CG2 4Å; L1316-V1362 HydrophobicContact CG-CG2 4.2Å; K1358-V1362 WeakPolarHBondContact O-CB 3.32Å; K1358-V1362 VanDerWaalsContact O-CG2 3.27Å; K1358-V1362 WeakPolarHBondContact O-CG2 3.43Å; K1358-V1362 PolarHBondContact O-N 2.9Å; V1362-L1364 PolarHBondContact O-N 3.19Å; V1362-V1365 PolarHBondContact O-N 3.36Å; V1362-C1366 WeakPolarHBondContact O-CB 3.33Å; V1362-C1366 PolarHBondContact O-N 3.35Å; V1362-C1366 PolarHBondContact O-SG 2.61Å |
| 1363 | N | 89.5 | Confident | 89 | Confident | 77 Ų | 77 | 45.3 Ų | 45.3 | 41% | 0.412 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.7 | -46.1 | 178.9 | -68.4 | -4.9 | 0 | 0 | 0 | 112.1 | Q1359 E1360 Y1361 C1366 Q1367 | Q1359-N1363 PolarHBondContact NE2-OD1 3.31Å; Q1359-N1363 WeakPolarHBondContact O-CB 2.93Å; Q1359-N1363 PolarHBondContact O-N 2.96Å; Q1359-N1363 VanDerWaalsContact O-N 3.08Å; Q1359-N1363 PolarHBondContact O-ND2 3.13Å; Q1359-N1363 PolarHBondContact O-OD1 3.26Å; E1360-N1363 PolarHBondContact O-N 2.91Å; Y1361-N1363 VanDerWaalsContact C-N 3.35Å; Y1361-N1363 PolarHBondContact O-N 2.9Å; N1363-C1366 PolarHBondContact O-N 3.12Å; N1363-Q1367 PolarHBondContact O-N 2.98Å |
| 1364 | L | 90.6 | Very high | 88.9 | Confident | 55 Ų | 55 | 45.7 Ų | 45.7 | 29% | 0.288 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.3 | -39.4 | 179.7 | -67.6 | 168.9 | 0 | 0 | 0 | 112.4 | F1329 L1344 K1345 E1360 Y1361 V1362 Q1367 M1368 | F1329-L1364 HydrophobicContact CD1-CD1 3.91Å; F1329-L1364 HydrophobicContact CE1-CD1 3.99Å; L1344-L1364 HydrophobicContact CB-CB 4.06Å; L1344-L1364 HydrophobicContact CB-CD1 4.35Å; K1345-L1364 HydrophobicContact CB-CD1 4.29Å; K1345-L1364 HydrophobicContact CD-CD1 4.25Å; E1360-L1364 HydrophobicContact CG-CD1 4.16Å; E1360-L1364 WeakPolarHBondContact O-CG 3.48Å; E1360-L1364 PolarHBondContact O-N 3.01Å; Y1361-L1364 PolarHBondContact O-N 3.15Å; V1362-L1364 PolarHBondContact O-N 3.19Å; L1364-Q1367 PolarHBondContact O-N 2.99Å; L1364-M1368 WeakPolarHBondContact O-CB 3.25Å; L1364-M1368 PolarHBondContact O-N 2.91Å |
| 1365 | V | 90.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.6 | -47.6 | 173.2 | 162.6 | 0 | 0 | 0 | 0 | 111.1 | F1308 L1312 L1344 Y1361 V1362 M1368 K1369 | F1308-V1365 HydrophobicContact CE1-CG1 3.39Å; F1308-V1365 HydrophobicContact CZ-CG1 3.44Å; F1308-V1365 VanDerWaalsContact CZ-CG1 3.44Å; L1312-V1365 HydrophobicContact CD2-CG1 4.03Å; L1344-V1365 HydrophobicContact CD1-CG2 3.46Å; L1344-V1365 VanDerWaalsContact CD1-CG2 3.46Å; Y1361-V1365 HydrophobicContact CD1-CG2 4.18Å; Y1361-V1365 HydrophobicContact CD2-CG2 3.96Å; Y1361-V1365 HydrophobicContact CE1-CG2 3.79Å; Y1361-V1365 HydrophobicContact CE2-CG2 3.53Å; Y1361-V1365 HydrophobicContact CG-CG2 4.26Å; Y1361-V1365 VanDerWaalsContact CZ-CG2 3.44Å; Y1361-V1365 WeakPolarHBondContact O-CB 3.18Å; Y1361-V1365 VanDerWaalsContact O-CG2 3.31Å; Y1361-V1365 WeakPolarHBondContact O-CG2 3.35Å; Y1361-V1365 PolarHBondContact O-N 2.87Å; V1362-V1365 PolarHBondContact O-N 3.36Å; V1365-M1368 PolarHBondContact O-N 3.1Å; V1365-K1369 WeakPolarHBondContact O-CB 3.48Å; V1365-K1369 PolarHBondContact O-N 2.78Å |
| 1366 | C | 89.4 | Confident | 88.9 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.3 | -45.2 | 178.6 | -72.4 | 0 | 0 | 0 | 0 | 111.8 | Y1298 M1301 L1312 V1362 N1363 M1368 K1369 M1370 | Y1298-C1366 VanDerWaalsContact CA-SG 3.54Å; M1301-C1366 HydrophobicContact CE-CB 4.38Å; L1312-C1366 VanDerWaalsContact CD1-SG 3.59Å; V1362-C1366 WeakPolarHBondContact O-CB 3.33Å; V1362-C1366 PolarHBondContact O-N 3.35Å; V1362-C1366 PolarHBondContact O-SG 2.61Å; N1363-C1366 PolarHBondContact O-N 3.12Å; C1366-M1368 PolarHBondContact O-N 3.33Å; C1366-K1369 PolarHBondContact O-N 3.42Å; C1366-M1370 HydrophobicContact CB-CE 3.63Å; C1366-M1370 WeakPolarHBondContact O-CB 3.26Å; C1366-M1370 PolarHBondContact O-N 2.85Å |
| 1367 | Q | 86.8 | Confident | 89.1 | Confident | 72 Ų | 72 | 45.2 Ų | 45.2 | 34% | 0.336 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.6 | -40.5 | 175.8 | -168.1 | 72.7 | 64.6 | 0 | 0 | 112 | N1363 L1364 T1371 | N1363-Q1367 PolarHBondContact O-N 2.98Å; L1364-Q1367 PolarHBondContact O-N 2.99Å; Q1367-T1371 PolarHBondContact NE2-OG1 3.39Å; Q1367-T1371 WeakPolarHBondContact O-CB 3.27Å; Q1367-T1371 PolarHBondContact O-N 3.05Å; Q1367-T1371 PolarHBondContact O-OG1 3.18Å |
| 1368 | M | 86.5 | Confident | 89.2 | Confident | 46 Ų | 46 | 44 Ų | 44 | 23% | 0.227 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -68.8 | -42.1 | 178.1 | -172.3 | 62.8 | 70.4 | 0 | 0 | 112.2 | L1331 V1333 L1344 L1364 V1365 C1366 G1372 | L1331-M1368 HydrophobicContact CD2-CB 4.09Å; L1331-M1368 HydrophobicContact CD2-CG 3.89Å; V1333-M1368 HydrophobicContact CG2-CG 4.05Å; L1344-M1368 HydrophobicContact CD2-CB 3.76Å; L1344-M1368 HydrophobicContact CD2-CE 4.29Å; L1344-M1368 HydrophobicContact CD2-CG 4.02Å; L1364-M1368 WeakPolarHBondContact O-CB 3.25Å; L1364-M1368 PolarHBondContact O-N 2.91Å; V1365-M1368 PolarHBondContact O-N 3.1Å; C1366-M1368 PolarHBondContact O-N 3.33Å; M1368-G1372 VanDerWaalsContact O-CA 3.26Å; M1368-G1372 WeakPolarHBondContact O-CA 3.29Å; M1368-G1372 PolarHBondContact O-N 3.49Å |
| 1369 | K | 85.1 | Confident | 89.3 | Confident | 90 Ų | 90 | 47.2 Ų | 47.2 | 39% | 0.391 | 23% | 0.229 | S | C | . | . | I | π-helix | trans | -66.8 | -53.5 | 178 | -81 | -71.3 | -169.4 | 172.1 | 0 | 112.5 | M1301 F1308 L1331 V1365 C1366 | M1301-K1369 HydrophobicContact CE-CB 3.58Å; M1301-K1369 HydrophobicContact CE-CG 4.2Å; F1308-K1369 HydrophobicContact CD1-CG 4.39Å; F1308-K1369 HydrophobicContact CE1-CD 4.47Å; F1308-K1369 HydrophobicContact CE1-CG 3.8Å; F1308-K1369 HydrophobicContact CZ-CG 4.4Å; L1331-K1369 HydrophobicContact CD2-CD 4.34Å; L1331-K1369 HydrophobicContact CD2-CG 4.05Å; V1365-K1369 WeakPolarHBondContact O-CB 3.48Å; V1365-K1369 PolarHBondContact O-N 2.78Å; C1366-K1369 PolarHBondContact O-N 3.42Å |
| 1370 | M | 85.4 | Confident | 89.6 | Confident | 6 Ų | 6 | 43.5 Ų | 43.5 | 3% | 0.03 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -75.6 | -26.4 | -175.2 | -74.3 | 179.7 | -90.8 | 0 | 0 | 113.5 | A1286 V1296 D1300 M1301 E1304 C1366 I1374 | A1286-M1370 HydrophobicContact CB-CG 4.46Å; A1286-M1370 HydrophobicContact CB-SD 3.62Å; V1296-M1370 HydrophobicContact CB-CE 3.67Å; V1296-M1370 HydrophobicContact CB-SD 3.98Å; V1296-M1370 HydrophobicContact CG1-CE 4.49Å; V1296-M1370 HydrophobicContact CG1-SD 4.16Å; V1296-M1370 HydrophobicContact CG2-CB 4.37Å; V1296-M1370 HydrophobicContact CG2-CE 3.64Å; V1296-M1370 HydrophobicContact CG2-SD 4.23Å; D1300-M1370 HydrophobicContact CB-CE 4.22Å; D1300-M1370 HydrophobicContact CB-SD 3.91Å; M1301-M1370 HydrophobicContact CE-CE 3.91Å; M1301-M1370 HydrophobicContact CE-CG 4.1Å; E1304-M1370 HydrophobicContact CG-CG 4.04Å; E1304-M1370 HydrophobicContact CG-SD 4.06Å; C1366-M1370 HydrophobicContact CB-CE 3.63Å; C1366-M1370 WeakPolarHBondContact O-CB 3.26Å; C1366-M1370 PolarHBondContact O-N 2.85Å; M1370-I1374 WeakPolarHBondContact O-CD1 3.37Å; M1370-I1374 WeakPolarHBondContact O-CG1 3.19Å |
| 1371 | T | 86.8 | Confident | 89.9 | Confident | 24 Ų | 24 | 39.6 Ų | 39.6 | 15% | 0.147 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -115.1 | -25.7 | -174.2 | -42.1 | 0 | 0 | 0 | 0 | 114.2 | H1290 Q1367 R1375 L1378 | H1290-T1371 PolarHBondContact CE1-OG1 3.21Å; H1290-T1371 PolarHBondContact NE2-OG1 2.97Å; Q1367-T1371 PolarHBondContact NE2-OG1 3.39Å; Q1367-T1371 WeakPolarHBondContact O-CB 3.27Å; Q1367-T1371 PolarHBondContact O-N 3.05Å; Q1367-T1371 PolarHBondContact O-OG1 3.18Å; T1371-R1375 WeakPolarHBondContact O-CA 3.3Å; T1371-R1375 WeakPolarHBondContact O-CB 3.41Å; T1371-R1375 PolarHBondContact O-N 3.17Å; T1371-R1375 VanDerWaalsContact O-N 3.12Å; T1371-L1378 HydrophobicContact CG2-CD2 3.83Å |
| 1372 | G | 81.8 | Confident | 90.1 | Very high | 16 Ų | 16 | 39.6 Ų | 39.6 | 17% | 0.165 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -63 | -64 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113 | M1368 I1374 R1375 | M1368-G1372 VanDerWaalsContact O-CA 3.26Å; M1368-G1372 WeakPolarHBondContact O-CA 3.29Å; M1368-G1372 PolarHBondContact O-N 3.49Å; G1372-I1374 PolarHBondContact O-N 3.24Å; G1372-I1374 VanDerWaalsContact O-N 3.11Å; G1372-R1375 VanDerWaalsContact O-CB 3.31Å; G1372-R1375 WeakPolarHBondContact O-CB 3.37Å; G1372-R1375 PolarHBondContact O-N 3.2Å; G1372-R1375 VanDerWaalsContact O-N 3.12Å |
| 1373 | A | 80 | Confident | 90.3 | Very high | 24 Ų | 24 | 44.9 Ų | 44.9 | 20% | 0.198 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -14.3 | -175 | 0 | 0 | 0 | 0 | 0 | 114.7 | P1250 E1335 Q1377 | P1250-A1373 HydrophobicContact CB-CB 4.19Å; E1335-A1373 HydrophobicContact CG-CB 4.13Å; A1373-Q1377 PolarHBondContact O-NE2 2.71Å |
| 1374 | I | 89.2 | Confident | 90.6 | Very high | 18 Ų | 18 | 41.2 Ų | 41.2 | 9% | 0.092 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112 | 8.8 | 178.3 | 67 | 166.9 | 0 | 0 | 0 | 113.3 | I1248 P1250 M1370 G1372 Q1376 Q1377 L1378 | I1248-I1374 HydrophobicContact CB-CB 4.14Å; I1248-I1374 HydrophobicContact CB-CD1 4.15Å; I1248-I1374 HydrophobicContact CB-CG2 3.97Å; I1248-I1374 HydrophobicContact CD1-CD1 4.47Å; I1248-I1374 HydrophobicContact CG2-CB 3.82Å; I1248-I1374 HydrophobicContact CG2-CG2 3.66Å; P1250-I1374 HydrophobicContact CG-CG2 4.14Å; M1370-I1374 WeakPolarHBondContact O-CD1 3.37Å; M1370-I1374 WeakPolarHBondContact O-CG1 3.19Å; G1372-I1374 PolarHBondContact O-N 3.24Å; G1372-I1374 VanDerWaalsContact O-N 3.11Å; I1374-Q1376 VanDerWaalsContact C-N 3.33Å; I1374-Q1376 PolarHBondContact O-N 2.97Å; I1374-Q1377 PolarHBondContact O-N 3.11Å; I1374-Q1377 PolarHBondContact O-OE1 2.84Å; I1374-L1378 VanDerWaalsContact O-CB 3.23Å; I1374-L1378 WeakPolarHBondContact O-CB 3.28Å; I1374-L1378 PolarHBondContact O-N 2.65Å |
| 1375 | R | 90.2 | Very high | 90.8 | Very high | 165 Ų | 165 | 38.6 Ų | 38.6 | 62% | 0.623 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -60.3 | -36.8 | -167.9 | -171.3 | 176.2 | 179.7 | -170.6 | -0.9 | 114 | T1371 G1372 N1379 | T1371-R1375 WeakPolarHBondContact O-CA 3.3Å; T1371-R1375 WeakPolarHBondContact O-CB 3.41Å; T1371-R1375 PolarHBondContact O-N 3.17Å; T1371-R1375 VanDerWaalsContact O-N 3.12Å; G1372-R1375 VanDerWaalsContact O-CB 3.31Å; G1372-R1375 WeakPolarHBondContact O-CB 3.37Å; G1372-R1375 PolarHBondContact O-N 3.2Å; G1372-R1375 VanDerWaalsContact O-N 3.12Å; R1375-N1379 VanDerWaalsContact O-CB 3.27Å; R1375-N1379 WeakPolarHBondContact O-CB 3.28Å; R1375-N1379 PolarHBondContact O-N 2.84Å; R1375-N1379 PolarHBondContact O-ND2 2.91Å; R1375-N1379 PolarHBondContact O-OD1 3Å |
| 1376 | Q | 91.8 | Very high | 91 | Very high | 102 Ų | 102 | 41.4 Ų | 41.4 | 48% | 0.477 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -73.5 | -45.6 | -177.8 | -58.4 | -174.8 | 15.6 | 0 | 0 | 110.8 | L1259 I1374 N1379 A1380 | L1259-Q1376 HydrophobicContact CD2-CB 3.89Å; I1374-Q1376 VanDerWaalsContact C-N 3.33Å; I1374-Q1376 PolarHBondContact O-N 2.97Å; Q1376-N1379 PolarHBondContact O-N 3.48Å; Q1376-A1380 PolarHBondContact O-N 3.05Å |
| 1377 | Q | 94.7 | Very high | 91.1 | Very high | 5 Ų | 5 | 44 Ų | 44 | 2% | 0.023 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59 | -49 | 176.1 | -57.9 | 90.2 | -37.7 | 0 | 0 | 111.1 | I1248 S1252 L1259 F1262 A1373 I1374 A1380 F1381 | I1248-Q1377 HydrophobicContact CD1-CB 3.99Å; I1248-Q1377 HydrophobicContact CG2-CB 3.7Å; I1248-Q1377 HydrophobicContact CG2-CG 3.97Å; S1252-Q1377 WeakPolarHBondContact OG-CG 3.49Å; S1252-Q1377 PolarHBondContact OG-NE2 3.13Å; L1259-Q1377 HydrophobicContact CD2-CG 4.3Å; F1262-Q1377 HydrophobicContact CD2-CB 3.54Å; F1262-Q1377 HydrophobicContact CD2-CG 3.79Å; F1262-Q1377 HydrophobicContact CE1-CB 4.49Å; F1262-Q1377 HydrophobicContact CE2-CB 3.48Å; F1262-Q1377 VanDerWaalsContact CE2-CB 3.48Å; F1262-Q1377 HydrophobicContact CE2-CG 3.36Å; F1262-Q1377 HydrophobicContact CG-CB 4.14Å; F1262-Q1377 HydrophobicContact CZ-CB 3.98Å; F1262-Q1377 HydrophobicContact CZ-CG 4.06Å; A1373-Q1377 PolarHBondContact O-NE2 2.71Å; I1374-Q1377 PolarHBondContact O-N 3.11Å; I1374-Q1377 PolarHBondContact O-OE1 2.84Å; Q1377-A1380 PolarHBondContact O-N 2.73Å; Q1377-F1381 PolarHBondContact O-N 2.88Å |
| 1378 | L | 94.8 | Very high | 91.3 | Very high | 5 Ų | 5 | 40.8 Ų | 40.8 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64 | -43.8 | 177.7 | -177.6 | 66.2 | 0 | 0 | 0 | 111.6 | I1248 F1287 H1290 T1371 I1374 A1380 F1381 L1382 | I1248-L1378 HydrophobicContact CD1-CB 4.26Å; I1248-L1378 HydrophobicContact CD1-CD1 4.48Å; F1287-L1378 HydrophobicContact CD2-CD1 4.21Å; F1287-L1378 HydrophobicContact CE2-CD1 3.87Å; H1290-L1378 HydrophobicContact CB-CD1 3.9Å; H1290-L1378 HydrophobicContact CB-CD2 3.95Å; H1290-L1378 HydrophobicContact CB-CG 4.45Å; H1290-L1378 VanDerWaalsContact CD2-CD2 3.42Å; H1290-L1378 WeakPolarHBondContact CD2-CD2 3.28Å; T1371-L1378 HydrophobicContact CG2-CD2 3.83Å; I1374-L1378 VanDerWaalsContact O-CB 3.23Å; I1374-L1378 WeakPolarHBondContact O-CB 3.28Å; I1374-L1378 PolarHBondContact O-N 2.65Å; L1378-A1380 VanDerWaalsContact C-N 3.32Å; L1378-A1380 PolarHBondContact O-N 2.83Å; L1378-F1381 PolarHBondContact O-N 2.56Å; L1378-L1382 HydrophobicContact CD1-CD1 4.14Å; L1378-L1382 HydrophobicContact CD1-CG 4.17Å; L1378-L1382 HydrophobicContact CG-CD1 3.92Å; L1378-L1382 HydrophobicContact CG-CG 4.32Å; L1378-L1382 WeakPolarHBondContact O-CB 3.28Å; L1378-L1382 VanDerWaalsContact O-CG 3.22Å; L1378-L1382 WeakPolarHBondContact O-CG 3.1Å; L1378-L1382 PolarHBondContact O-N 3.31Å |
| 1379 | N | 96 | Very high | 91.6 | Very high | 90 Ų | 90 | 38.6 Ų | 38.6 | 48% | 0.481 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61 | -40.5 | 175.1 | -78.4 | -8.1 | 0 | 0 | 0 | 112 | R1375 Q1376 K1383 | R1375-N1379 VanDerWaalsContact O-CB 3.27Å; R1375-N1379 WeakPolarHBondContact O-CB 3.28Å; R1375-N1379 PolarHBondContact O-N 2.84Å; R1375-N1379 PolarHBondContact O-ND2 2.91Å; R1375-N1379 PolarHBondContact O-OD1 3Å; Q1376-N1379 PolarHBondContact O-N 3.48Å; N1379-K1383 WeakPolarHBondContact O-CB 3.42Å; N1379-K1383 PolarHBondContact O-N 2.87Å |
| 1380 | A | 96.7 | Very high | 91.9 | Very high | 14 Ų | 14 | 36.3 Ų | 36.3 | 12% | 0.116 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.6 | -46.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1259 F1262 Q1263 Q1376 Q1377 L1378 K1383 G1384 | L1259-A1380 HydrophobicContact CB-CB 4.33Å; L1259-A1380 WeakPolarHBondContact O-CB 3.47Å; F1262-A1380 HydrophobicContact CB-CB 4.05Å; Q1263-A1380 VanDerWaalsContact CA-O 3.29Å; Q1263-A1380 WeakPolarHBondContact CA-O 3.42Å; Q1263-A1380 HydrophobicContact CB-CB 4.48Å; Q1263-A1380 WeakPolarHBondContact CB-O 3.34Å; Q1376-A1380 PolarHBondContact O-N 3.05Å; Q1377-A1380 PolarHBondContact O-N 2.73Å; L1378-A1380 VanDerWaalsContact C-N 3.32Å; L1378-A1380 PolarHBondContact O-N 2.83Å; A1380-K1383 PolarHBondContact O-N 2.63Å; A1380-G1384 PolarHBondContact O-N 3.42Å; A1380-G1384 VanDerWaalsContact O-N 3.11Å |
| 1381 | F | 97.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.5 | -51.6 | 173.2 | -179.4 | -80.3 | 0 | 0 | 0 | 112 | F1262 I1265 G1266 I1269 F1287 I1291 Q1377 L1378 K1383 G1384 F1385 | F1262-F1381 HydrophobicContact CB-CB 4.3Å; F1262-F1381 WeakPolarHBondContact O-CA 3.4Å; I1265-F1381 HydrophobicContact CG2-CD2 4.31Å; I1265-F1381 HydrophobicContact CG2-CE2 3.99Å; G1266-F1381 WeakPolarHBondContact CA-O 3.44Å; I1269-F1381 HydrophobicContact CD1-CE2 3.88Å; I1269-F1381 HydrophobicContact CD1-CZ 3.99Å; F1287-F1381 AromaticContact CE1-CE1 3.9Å; F1287-F1381 HydrophobicContact CE1-CE1 3.9Å; F1287-F1381 HydrophobicContact CE1-CE2 4.09Å; F1287-F1381 AromaticContact CE1-CZ 3.66Å; F1287-F1381 HydrophobicContact CE1-CZ 3.66Å; F1287-F1381 AromaticContact CZ-CD1 3.82Å; F1287-F1381 HydrophobicContact CZ-CD1 3.82Å; F1287-F1381 AromaticContact CZ-CD2 3.92Å; F1287-F1381 HydrophobicContact CZ-CD2 3.92Å; F1287-F1381 AromaticContact CZ-CE1 3.64Å; F1287-F1381 HydrophobicContact CZ-CE1 3.64Å; F1287-F1381 AromaticContact CZ-CE2 3.69Å; F1287-F1381 HydrophobicContact CZ-CE2 3.69Å; F1287-F1381 AromaticContact CZ-CG 3.98Å; F1287-F1381 HydrophobicContact CZ-CG 3.98Å; F1287-F1381 AromaticContact CZ-CZ 3.57Å; F1287-F1381 HydrophobicContact CZ-CZ 3.57Å; I1291-F1381 HydrophobicContact CD1-CE1 3.82Å; I1291-F1381 HydrophobicContact CD1-CZ 4.26Å; I1291-F1381 HydrophobicContact CG1-CE1 3.98Å; Q1377-F1381 PolarHBondContact O-N 2.88Å; L1378-F1381 PolarHBondContact O-N 2.56Å; F1381-K1383 VanDerWaalsContact C-N 3.33Å; F1381-K1383 PolarHBondContact O-N 2.85Å; F1381-G1384 PolarHBondContact O-N 3.14Å; F1381-F1385 HydrophobicContact CE1-CB 4.36Å; F1381-F1385 HydrophobicContact CE1-CD2 4.3Å; F1381-F1385 PolarHBondContact O-N 3.4Å |
| 1382 | L | 97.1 | Very high | 92.1 | Very high | 22 Ų | 22 | 47 Ų | 47 | 12% | 0.115 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.4 | -37.5 | -178 | -70.2 | 177.5 | 0 | 0 | 0 | 112 | I1291 L1378 F1385 Y1386 | I1291-L1382 HydrophobicContact CB-CD2 4.29Å; I1291-L1382 HydrophobicContact CG1-CD2 3.98Å; L1378-L1382 HydrophobicContact CD1-CD1 4.14Å; L1378-L1382 HydrophobicContact CD1-CG 4.17Å; L1378-L1382 HydrophobicContact CG-CD1 3.92Å; L1378-L1382 HydrophobicContact CG-CG 4.32Å; L1378-L1382 WeakPolarHBondContact O-CB 3.28Å; L1378-L1382 VanDerWaalsContact O-CG 3.22Å; L1378-L1382 WeakPolarHBondContact O-CG 3.1Å; L1378-L1382 PolarHBondContact O-N 3.31Å; L1382-F1385 PolarHBondContact O-N 3.08Å; L1382-Y1386 HydrophobicContact CB-CD2 4.17Å; L1382-Y1386 HydrophobicContact CB-CE2 3.8Å; L1382-Y1386 HydrophobicContact CD2-CE2 4.2Å; L1382-Y1386 HydrophobicContact CG-CE2 4.41Å; L1382-Y1386 WeakPolarHBondContact O-CB 3.46Å; L1382-Y1386 WeakPolarHBondContact O-CD2 3.31Å; L1382-Y1386 VanDerWaalsContact O-CG 3.24Å; L1382-Y1386 PolarHBondContact O-N 2.95Å |
| 1383 | K | 95.9 | Very high | 92.4 | Very high | 112 Ų | 112 | 47.2 Ų | 47.2 | 49% | 0.487 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -56.2 | -52.2 | 171.3 | 178.3 | -171 | 170.4 | -154.2 | 0 | 110.8 | N1379 A1380 F1381 F1385 Y1386 E1387 | N1379-K1383 WeakPolarHBondContact O-CB 3.42Å; N1379-K1383 PolarHBondContact O-N 2.87Å; A1380-K1383 PolarHBondContact O-N 2.63Å; F1381-K1383 VanDerWaalsContact C-N 3.33Å; F1381-K1383 PolarHBondContact O-N 2.85Å; K1383-F1385 VanDerWaalsContact C-N 3.34Å; K1383-F1385 PolarHBondContact O-N 3.42Å; K1383-Y1386 PolarHBondContact O-N 3.27Å; K1383-E1387 WeakPolarHBondContact CE-OE1 3.24Å; K1383-E1387 WeakPolarHBondContact O-CB 3.34Å; K1383-E1387 VanDerWaalsContact O-CG 3.24Å; K1383-E1387 WeakPolarHBondContact O-CG 3.17Å; K1383-E1387 PolarHBondContact O-N 3.06Å |
| 1384 | G | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.1 | -37.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q1263 R1267 A1380 F1381 | Q1263-G1384 WeakPolarHBondContact O-CA 3.39Å; R1267-G1384 WeakPolarHBondContact CA-O 3.24Å; R1267-G1384 VanDerWaalsContact CG-O 3.22Å; R1267-G1384 WeakPolarHBondContact CG-O 3.28Å; R1267-G1384 PolarHBondContact N-O 3.42Å; A1380-G1384 PolarHBondContact O-N 3.42Å; A1380-G1384 VanDerWaalsContact O-N 3.11Å; F1381-G1384 PolarHBondContact O-N 3.14Å |
| 1385 | F | 96 | Very high | 92.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.2 | -46.8 | 177.1 | -170.2 | -83.5 | 0 | 0 | 0 | 111.9 | G1266 I1269 A1270 I1291 F1381 L1382 K1383 E1387 I1388 I1389 I1394 | G1266-F1385 WeakPolarHBondContact O-CA 3.47Å; I1269-F1385 HydrophobicContact CG2-CE2 4.22Å; A1270-F1385 HydrophobicContact CB-CD2 3.81Å; A1270-F1385 HydrophobicContact CB-CE2 4.09Å; A1270-F1385 HydrophobicContact CB-CG 4.09Å; I1291-F1385 HydrophobicContact CG2-CD1 4.06Å; I1291-F1385 HydrophobicContact CG2-CE1 3.73Å; I1291-F1385 HydrophobicContact CG2-CE2 4.42Å; I1291-F1385 HydrophobicContact CG2-CZ 3.93Å; F1381-F1385 HydrophobicContact CE1-CB 4.36Å; F1381-F1385 HydrophobicContact CE1-CD2 4.3Å; F1381-F1385 PolarHBondContact O-N 3.4Å; L1382-F1385 PolarHBondContact O-N 3.08Å; K1383-F1385 VanDerWaalsContact C-N 3.34Å; K1383-F1385 PolarHBondContact O-N 3.42Å; F1385-E1387 VanDerWaalsContact C-N 3.34Å; F1385-E1387 PolarHBondContact O-N 3.28Å; F1385-I1388 PolarHBondContact O-N 3.11Å; F1385-I1389 HydrophobicContact CE1-CB 4.17Å; F1385-I1389 HydrophobicContact CE1-CD1 4.49Å; F1385-I1389 HydrophobicContact CE1-CG2 4.4Å; F1385-I1389 HydrophobicContact CZ-CD1 4.2Å; F1385-I1389 PolarHBondContact O-N 3.17Å; F1385-I1394 HydrophobicContact CE1-CG1 4.2Å; F1385-I1394 HydrophobicContact CE1-CG2 4.47Å; F1385-I1394 HydrophobicContact CZ-CD1 4.47Å; F1385-I1394 HydrophobicContact CZ-CG1 4.37Å |
| 1386 | Y | 95.4 | Very high | 92.8 | Very high | 59 Ų | 59 | 40.9 Ų | 40.9 | 23% | 0.231 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -74.5 | -19.7 | -178.8 | -59.8 | -43.9 | 0 | 0 | 0 | 114.2 | I1291 L1382 K1383 I1388 I1389 K1391 I1394 | I1291-Y1386 PolarHBondContact O-OH 3.49Å; L1382-Y1386 HydrophobicContact CB-CD2 4.17Å; L1382-Y1386 HydrophobicContact CB-CE2 3.8Å; L1382-Y1386 HydrophobicContact CD2-CE2 4.2Å; L1382-Y1386 HydrophobicContact CG-CE2 4.41Å; L1382-Y1386 WeakPolarHBondContact O-CB 3.46Å; L1382-Y1386 WeakPolarHBondContact O-CD2 3.31Å; L1382-Y1386 VanDerWaalsContact O-CG 3.24Å; L1382-Y1386 PolarHBondContact O-N 2.95Å; K1383-Y1386 PolarHBondContact O-N 3.27Å; Y1386-I1388 PolarHBondContact O-N 3.19Å; Y1386-I1389 WeakPolarHBondContact CA-O 3.35Å; Y1386-K1391 HydrophobicContact CD1-CB 3.79Å; Y1386-K1391 HydrophobicContact CD1-CG 4.3Å; Y1386-K1391 HydrophobicContact CE1-CB 3.62Å; Y1386-K1391 HydrophobicContact CE1-CD 4.13Å; Y1386-K1391 HydrophobicContact CE1-CG 3.6Å; Y1386-K1391 HydrophobicContact CE2-CD 4.16Å; Y1386-K1391 HydrophobicContact CG-CB 4.37Å; Y1386-K1391 WeakPolarHBondContact OH-CE 3.41Å; Y1386-I1394 HydrophobicContact CE1-CG2 4.48Å |
| 1387 | E | 91.5 | Very high | 92.7 | Very high | 55 Ų | 55 | 36.1 Ų | 36.1 | 26% | 0.257 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -23.6 | 170.5 | -82.7 | 168.5 | 173 | 0 | 0 | 112.7 | Q1263 R1267 K1383 F1385 | Q1263-E1387 VanDerWaalsContact NE2-CD 3.27Å; Q1263-E1387 PolarHBondContact NE2-OE1 2.83Å; Q1263-E1387 PolarHBondContact NE2-OE2 2.92Å; R1267-E1387 IonicContact CZ-OE2 2.66Å; R1267-E1387 IonicContact NE-OE2 3.48Å; R1267-E1387 PolarHBondContact NE-OE2 3.13Å; R1267-E1387 IonicContact NH2-OE1 3.32Å; R1267-E1387 IonicContact NH2-OE2 2.75Å; R1267-E1387 PolarHBondContact NH2-OE2 2.94Å; K1383-E1387 WeakPolarHBondContact CE-OE1 3.24Å; K1383-E1387 WeakPolarHBondContact O-CB 3.34Å; K1383-E1387 VanDerWaalsContact O-CG 3.24Å; K1383-E1387 WeakPolarHBondContact O-CG 3.17Å; K1383-E1387 PolarHBondContact O-N 3.06Å; F1385-E1387 VanDerWaalsContact C-N 3.34Å; F1385-E1387 PolarHBondContact O-N 3.28Å |
| 1388 | I | 90.5 | Very high | 92.3 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.015 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -45.7 | 177.1 | -60 | 175.1 | 0 | 0 | 0 | 111.5 | Y1157 W1197 R1267 A1270 K1271 F1274 F1385 Y1386 | Y1157-I1388 VanDerWaalsContact CE2-O 3.29Å; Y1157-I1388 WeakPolarHBondContact CE2-O 3.32Å; Y1157-I1388 PolarHBondContact OH-O 2.88Å; W1197-I1388 HydrophobicContact CB-CD1 3.75Å; W1197-I1388 HydrophobicContact CB-CG1 4.14Å; W1197-I1388 HydrophobicContact CD2-CD1 3.94Å; W1197-I1388 HydrophobicContact CE3-CD1 3.59Å; W1197-I1388 HydrophobicContact CG-CD1 4.07Å; W1197-I1388 HydrophobicContact CZ3-CD1 4.43Å; R1267-I1388 HydrophobicContact CB-CD1 3.86Å; R1267-I1388 HydrophobicContact CG-CD1 4.21Å; R1267-I1388 WeakPolarHBondContact O-CD1 3.39Å; A1270-I1388 HydrophobicContact CB-CB 3.87Å; A1270-I1388 HydrophobicContact CB-CD1 4.4Å; A1270-I1388 HydrophobicContact CB-CG2 4.21Å; K1271-I1388 HydrophobicContact CB-CD1 4.23Å; F1274-I1388 HydrophobicContact CB-CG2 4.44Å; F1274-I1388 HydrophobicContact CD2-CG2 3.95Å; F1385-I1388 PolarHBondContact O-N 3.11Å; Y1386-I1388 PolarHBondContact O-N 3.19Å |
| 1389 | I | 91.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -113.2 | 109.5 | -178.5 | -62.2 | 171.1 | 0 | 0 | 0 | 110.9 | F1153 Y1157 A1270 V1273 F1385 Y1386 K1391 I1394 | F1153-I1389 HydrophobicContact CE2-CG2 3.84Å; F1153-I1389 HydrophobicContact CZ-CD1 4.15Å; F1153-I1389 HydrophobicContact CZ-CG1 4.46Å; F1153-I1389 HydrophobicContact CZ-CG2 3.84Å; Y1157-I1389 HydrophobicContact CE2-CG1 4.18Å; A1270-I1389 HydrophobicContact CB-CD1 3.88Å; A1270-I1389 HydrophobicContact CB-CG1 4.07Å; A1270-I1389 WeakPolarHBondContact O-CD1 3.38Å; V1273-I1389 HydrophobicContact CB-CD1 3.73Å; V1273-I1389 HydrophobicContact CG1-CD1 3.57Å; F1385-I1389 HydrophobicContact CE1-CB 4.17Å; F1385-I1389 HydrophobicContact CE1-CD1 4.49Å; F1385-I1389 HydrophobicContact CE1-CG2 4.4Å; F1385-I1389 HydrophobicContact CZ-CD1 4.2Å; F1385-I1389 PolarHBondContact O-N 3.17Å; Y1386-I1389 WeakPolarHBondContact CA-O 3.35Å; I1389-K1391 PolarHBondContact O-N 3.46Å; I1389-I1394 HydrophobicContact CG2-CB 3.97Å; I1389-I1394 HydrophobicContact CG2-CD1 4.29Å |
| 1390 | P | 90.9 | Very high | 91.5 | Very high | 43 Ų | 43 | 32.5 Ų | 32.5 | 28% | 0.279 | 16% | 0.161 | S | C | . | . | trans | -55.1 | 138.2 | 179.1 | -28.3 | 35.7 | 0 | 0 | 0 | 113.8 | E1392 L1393 I1394 | P1390-E1392 VanDerWaalsContact C-N 3.35Å; P1390-E1392 PolarHBondContact O-N 3.36Å; P1390-L1393 HydrophobicContact CB-CB 4.34Å; P1390-L1393 PolarHBondContact O-N 3.23Å; P1390-I1394 PolarHBondContact O-N 3.03Å | ||
| 1391 | K | 91.1 | Very high | 91.2 | Very high | 97 Ų | 97 | 32.1 Ų | 32.1 | 42% | 0.422 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -60 | -40.4 | -175.5 | -173.1 | 178.5 | -179.6 | -170.6 | 0 | 113.1 | Y1386 I1389 L1393 I1394 S1395 | Y1386-K1391 HydrophobicContact CD1-CB 3.79Å; Y1386-K1391 HydrophobicContact CD1-CG 4.3Å; Y1386-K1391 HydrophobicContact CE1-CB 3.62Å; Y1386-K1391 HydrophobicContact CE1-CD 4.13Å; Y1386-K1391 HydrophobicContact CE1-CG 3.6Å; Y1386-K1391 HydrophobicContact CE2-CD 4.16Å; Y1386-K1391 HydrophobicContact CG-CB 4.37Å; Y1386-K1391 WeakPolarHBondContact OH-CE 3.41Å; I1389-K1391 PolarHBondContact O-N 3.46Å; K1391-L1393 VanDerWaalsContact C-N 3.27Å; K1391-L1393 PolarHBondContact O-N 3.41Å; K1391-I1394 WeakPolarHBondContact O-CG2 3.4Å; K1391-S1395 WeakPolarHBondContact O-CB 3.34Å; K1391-S1395 PolarHBondContact O-N 3.11Å |
| 1392 | E | 86.5 | Confident | 91 | Very high | 158 Ų | 158 | 32.1 Ų | 32.1 | 74% | 0.738 | 16% | 0.157 | S | C | * | . | H | α-helix | trans | -58.7 | -41.3 | 174.8 | -63.7 | 104.3 | -115.5 | 0 | 0 | 111.7 | P1390 S1395 | P1390-E1392 VanDerWaalsContact C-N 3.35Å; P1390-E1392 PolarHBondContact O-N 3.36Å; E1392-S1395 WeakPolarHBondContact O-CB 3.41Å; E1392-S1395 PolarHBondContact O-N 2.92Å; E1392-S1395 PolarHBondContact O-OG 3.35Å |
| 1393 | L | 88.2 | Confident | 90.8 | Very high | 20 Ų | 20 | 31.4 Ų | 31.4 | 11% | 0.105 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -73.4 | -36 | -173.6 | -175.8 | 58.2 | 0 | 0 | 0 | 112.6 | F1153 E1156 Y1157 I1160 P1390 K1391 S1395 I1396 | F1153-L1393 HydrophobicContact CD2-CD1 4.16Å; F1153-L1393 HydrophobicContact CD2-CD2 4.39Å; F1153-L1393 HydrophobicContact CD2-CG 3.73Å; F1153-L1393 HydrophobicContact CE2-CD2 4.29Å; F1153-L1393 HydrophobicContact CE2-CG 3.86Å; E1156-L1393 HydrophobicContact CB-CD1 3.93Å; Y1157-L1393 HydrophobicContact CD2-CD2 3.82Å; Y1157-L1393 HydrophobicContact CG-CD2 4.44Å; I1160-L1393 HydrophobicContact CD1-CD2 4.15Å; P1390-L1393 HydrophobicContact CB-CB 4.34Å; P1390-L1393 PolarHBondContact O-N 3.23Å; K1391-L1393 VanDerWaalsContact C-N 3.27Å; K1391-L1393 PolarHBondContact O-N 3.41Å; L1393-S1395 VanDerWaalsContact C-N 3.34Å; L1393-I1396 VanDerWaalsContact O-CG2 3.26Å; L1393-I1396 WeakPolarHBondContact O-CG2 3.36Å |
| 1394 | I | 91 | Very high | 90.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -74.7 | -22.2 | 174.2 | -159.8 | 68.4 | 0 | 0 | 0 | 112.8 | F1153 L1292 F1385 Y1386 I1389 P1390 K1391 I1396 F1397 L1402 L1405 | F1153-I1394 HydrophobicContact CE2-CD1 3.81Å; F1153-I1394 HydrophobicContact CZ-CD1 4.17Å; L1292-I1394 HydrophobicContact CD2-CG1 4.48Å; L1292-I1394 WeakPolarHBondContact CD2-O 3.32Å; F1385-I1394 HydrophobicContact CE1-CG1 4.2Å; F1385-I1394 HydrophobicContact CE1-CG2 4.47Å; F1385-I1394 HydrophobicContact CZ-CD1 4.47Å; F1385-I1394 HydrophobicContact CZ-CG1 4.37Å; Y1386-I1394 HydrophobicContact CE1-CG2 4.48Å; I1389-I1394 HydrophobicContact CG2-CB 3.97Å; I1389-I1394 HydrophobicContact CG2-CD1 4.29Å; P1390-I1394 PolarHBondContact O-N 3.03Å; K1391-I1394 WeakPolarHBondContact O-CG2 3.4Å; I1394-I1396 PolarHBondContact O-N 3.01Å; I1394-F1397 HydrophobicContact CD1-CD2 3.97Å; I1394-F1397 HydrophobicContact CD1-CE2 4.2Å; I1394-F1397 WeakPolarHBondContact O-CD2 3.29Å; I1394-F1397 PolarHBondContact O-N 3.39Å; I1394-L1402 HydrophobicContact CD1-CD1 3.84Å; I1394-L1402 HydrophobicContact CG1-CD1 3.96Å; I1394-L1405 HydrophobicContact CD1-CD2 3.7Å |
| 1395 | S | 88.4 | Confident | 90.4 | Very high | 64 Ų | 64 | 26.5 Ų | 26.5 | 45% | 0.448 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -9.5 | -177.8 | 78.2 | 0 | 0 | 0 | 0 | 115.5 | K1391 E1392 L1393 F1397 | K1391-S1395 WeakPolarHBondContact O-CB 3.34Å; K1391-S1395 PolarHBondContact O-N 3.11Å; E1392-S1395 WeakPolarHBondContact O-CB 3.41Å; E1392-S1395 PolarHBondContact O-N 2.92Å; E1392-S1395 PolarHBondContact O-OG 3.35Å; L1393-S1395 VanDerWaalsContact C-N 3.34Å; S1395-F1397 PolarHBondContact O-N 3.03Å |
| 1396 | I | 87.1 | Confident | 90.3 | Very high | 10 Ų | 10 | 26.5 Ų | 26.5 | 5% | 0.051 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25.6 | 173 | -172.2 | 167.9 | 0 | 0 | 0 | 113.6 | T1141 K1149 Y1152 L1393 I1394 | T1141-I1396 HydrophobicContact CG2-CB 4.38Å; T1141-I1396 HydrophobicContact CG2-CD1 4.47Å; T1141-I1396 HydrophobicContact CG2-CG1 3.78Å; K1149-I1396 HydrophobicContact CB-CD1 3.91Å; K1149-I1396 HydrophobicContact CB-CG1 4.01Å; K1149-I1396 HydrophobicContact CD-CG1 4.24Å; K1149-I1396 WeakPolarHBondContact CE-O 3.15Å; K1149-I1396 HydrophobicContact CG-CD1 4Å; K1149-I1396 HydrophobicContact CG-CG1 3.83Å; Y1152-I1396 HydrophobicContact CD1-CD1 3.45Å; Y1152-I1396 VanDerWaalsContact CD1-CD1 3.45Å; Y1152-I1396 HydrophobicContact CE1-CD1 4.08Å; Y1152-I1396 HydrophobicContact CG-CD1 4.27Å; L1393-I1396 VanDerWaalsContact O-CG2 3.26Å; L1393-I1396 WeakPolarHBondContact O-CG2 3.36Å; I1394-I1396 PolarHBondContact O-N 3.01Å |
| 1397 | F | 89.9 | Confident | 90.1 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.009 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -93.2 | 151.5 | -176.8 | -58.8 | -70 | 0 | 0 | 0 | 112.4 | F1146 K1149 F1153 L1292 I1394 S1395 E1401 L1405 | F1146-F1397 AromaticContact CD2-CD1 3.95Å; F1146-F1397 HydrophobicContact CD2-CD1 3.95Å; F1146-F1397 AromaticContact CD2-CE1 3.91Å; F1146-F1397 HydrophobicContact CD2-CE1 3.91Å; F1146-F1397 AromaticContact CE2-CD1 3.91Å; F1146-F1397 HydrophobicContact CE2-CD1 3.91Å; F1146-F1397 AromaticContact CE2-CE1 3.77Å; F1146-F1397 HydrophobicContact CE2-CE1 3.77Å; K1149-F1397 HydrophobicContact CB-CD1 4.07Å; K1149-F1397 HydrophobicContact CB-CE1 3.57Å; K1149-F1397 HydrophobicContact CB-CZ 4.32Å; K1149-F1397 HydrophobicContact CD-CD1 4.19Å; F1153-F1397 HydrophobicContact CB-CE2 4.04Å; F1153-F1397 HydrophobicContact CB-CZ 3.84Å; F1153-F1397 AromaticContact CD2-CE2 3.69Å; F1153-F1397 HydrophobicContact CD2-CE2 3.69Å; F1153-F1397 HydrophobicContact CD2-CZ 4.36Å; F1153-F1397 HydrophobicContact CE2-CE2 4.31Å; F1153-F1397 AromaticContact CG-CE2 3.85Å; F1153-F1397 HydrophobicContact CG-CE2 3.85Å; F1153-F1397 HydrophobicContact CG-CZ 4.07Å; L1292-F1397 WeakPolarHBondContact CD1-O 3.46Å; I1394-F1397 HydrophobicContact CD1-CD2 3.97Å; I1394-F1397 HydrophobicContact CD1-CE2 4.2Å; I1394-F1397 WeakPolarHBondContact O-CD2 3.29Å; I1394-F1397 PolarHBondContact O-N 3.39Å; S1395-F1397 PolarHBondContact O-N 3.03Å; F1397-E1401 HydrophobicContact CB-CB 3.93Å; F1397-E1401 HydrophobicContact CD1-CB 3.97Å; F1397-E1401 HydrophobicContact CG-CB 4.37Å; F1397-L1405 HydrophobicContact CD2-CD2 3.91Å; F1397-L1405 HydrophobicContact CE2-CD2 3.55Å; F1397-L1405 HydrophobicContact CZ-CD1 4.25Å; F1397-L1405 HydrophobicContact CZ-CD2 4.04Å |
| 1398 | N | 87.3 | Confident | 89.8 | Confident | 9 Ų | 9 | 22.1 Ų | 22.1 | 5% | 0.048 | 12% | 0.117 | C | C | . | . | trans | -85.1 | 172.3 | 161.9 | 81.8 | -6.2 | 0 | 0 | 0 | 111.1 | L1292 Q1400 E1401 L1402 S1523 | L1292-N1398 VanDerWaalsContact CD1-C 3.43Å; N1398-Q1400 VanDerWaalsContact C-N 3.26Å; N1398-Q1400 PolarHBondContact ND2-OE1 3.11Å; N1398-Q1400 PolarHBondContact O-N 2.91Å; N1398-Q1400 WeakPolarHBondContact OD1-CB 3.26Å; N1398-Q1400 PolarHBondContact OD1-N 2.95Å; N1398-E1401 PolarHBondContact N-OE2 2.87Å; N1398-E1401 PolarHBondContact O-N 3.22Å; N1398-E1401 VanDerWaalsContact O-N 3.15Å; N1398-E1401 VanDerWaalsContact OD1-CB 3.31Å; N1398-E1401 WeakPolarHBondContact OD1-CB 3.35Å; N1398-E1401 WeakPolarHBondContact OD1-CG 3.43Å; N1398-E1401 PolarHBondContact OD1-N 3.09Å; N1398-L1402 PolarHBondContact O-N 3.03Å; N1398-S1523 WeakPolarHBondContact ND2-CB 3.49Å; N1398-S1523 PolarHBondContact ND2-OG 3.17Å | ||
| 1399 | E | 87.2 | Confident | 89.5 | Confident | 3 Ų | 3 | 25.3 Ų | 25.3 | 1% | 0.014 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.6 | -28.1 | -174.4 | 65.9 | -89.1 | -154 | 0 | 0 | 113.6 | R1285 K1289 L1292 E1403 S1523 | R1285-E1399 HydrophobicContact CG-CG 3.75Å; R1285-E1399 IonicContact CZ-OE1 3.69Å; R1285-E1399 VanDerWaalsContact CZ-OE1 3.32Å; R1285-E1399 IonicContact NE-OE1 3.68Å; R1285-E1399 PolarHBondContact NE-OE1 2.9Å; R1285-E1399 IonicContact NH2-OE1 2.67Å; R1285-E1399 PolarHBondContact NH2-OE1 3.02Å; K1289-E1399 VanDerWaalsContact CE-CD 3.44Å; K1289-E1399 WeakPolarHBondContact CE-OE1 3.42Å; K1289-E1399 HydrophobicContact CG-CB 4.04Å; K1289-E1399 HydrophobicContact CG-CG 4.12Å; K1289-E1399 IonicContact NZ-OE1 3.79Å; K1289-E1399 PolarHBondContact NZ-OE1 3.49Å; L1292-E1399 HydrophobicContact CD1-CB 4.12Å; E1399-E1403 PolarHBondContact O-N 2.77Å; E1399-S1523 WeakPolarHBondContact OE1-CA 3.47Å; E1399-S1523 WeakPolarHBondContact OE1-CB 3.32Å; E1399-S1523 WeakPolarHBondContact OE2-CB 3.12Å |
| 1400 | Q | 86.9 | Confident | 89.2 | Confident | 12 Ų | 12 | 26.5 Ų | 26.5 | 6% | 0.056 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.4 | -44.8 | 172 | -69.7 | 164.4 | -50.5 | 0 | 0 | 111.4 | N1398 L1402 E1403 L1404 K1450 Q1453 I1519 | N1398-Q1400 VanDerWaalsContact C-N 3.26Å; N1398-Q1400 PolarHBondContact ND2-OE1 3.11Å; N1398-Q1400 PolarHBondContact O-N 2.91Å; N1398-Q1400 WeakPolarHBondContact OD1-CB 3.26Å; N1398-Q1400 PolarHBondContact OD1-N 2.95Å; Q1400-L1402 VanDerWaalsContact C-N 3.27Å; Q1400-L1402 PolarHBondContact O-N 2.85Å; Q1400-E1403 PolarHBondContact O-N 3.48Å; Q1400-L1404 WeakPolarHBondContact O-CG 3.33Å; Q1400-L1404 PolarHBondContact O-N 3.27Å; Q1400-L1404 VanDerWaalsContact O-N 3.09Å; Q1400-K1450 HydrophobicContact CB-CG 4.5Å; Q1400-Q1453 PolarHBondContact O-NE2 2.79Å; Q1400-I1519 PolarHBondContact NE2-O 3.26Å |
| 1401 | E | 90 | Very high | 88.9 | Confident | 5 Ų | 5 | 31.4 Ų | 31.4 | 2% | 0.023 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.4 | -26.5 | 178.8 | -72.7 | 166.9 | 171.1 | 0 | 0 | 112.4 | F1146 K1149 F1397 N1398 L1404 L1405 K1450 | F1146-E1401 HydrophobicContact CB-CG 4.33Å; F1146-E1401 HydrophobicContact CD2-CB 3.7Å; F1146-E1401 HydrophobicContact CD2-CG 3.66Å; F1146-E1401 HydrophobicContact CE2-CB 3.88Å; F1146-E1401 HydrophobicContact CE2-CG 4.31Å; F1146-E1401 VanDerWaalsContact CE2-O 3.29Å; F1146-E1401 WeakPolarHBondContact CE2-O 3.49Å; F1146-E1401 HydrophobicContact CG-CG 4.22Å; K1149-E1401 IonicContact NZ-OE1 3.18Å; K1149-E1401 PolarHBondContact NZ-OE1 3.07Å; K1149-E1401 IonicContact NZ-OE2 2.65Å; K1149-E1401 PolarHBondContact NZ-OE2 2.74Å; F1397-E1401 HydrophobicContact CB-CB 3.93Å; F1397-E1401 HydrophobicContact CD1-CB 3.97Å; F1397-E1401 HydrophobicContact CG-CB 4.37Å; N1398-E1401 PolarHBondContact N-OE2 2.87Å; N1398-E1401 PolarHBondContact O-N 3.22Å; N1398-E1401 VanDerWaalsContact O-N 3.15Å; N1398-E1401 VanDerWaalsContact OD1-CB 3.31Å; N1398-E1401 WeakPolarHBondContact OD1-CB 3.35Å; N1398-E1401 WeakPolarHBondContact OD1-CG 3.43Å; N1398-E1401 PolarHBondContact OD1-N 3.09Å; E1401-L1404 PolarHBondContact O-N 2.67Å; E1401-L1405 VanDerWaalsContact O-CB 3.31Å; E1401-L1405 WeakPolarHBondContact O-CB 3.22Å; E1401-L1405 PolarHBondContact O-N 2.82Å; E1401-K1450 IonicContact OE1-NZ 3.43Å; E1401-K1450 PolarHBondContact OE1-NZ 3.14Å |
| 1402 | L | 92.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -70.9 | -40.4 | 173.3 | -176.7 | 59.3 | 0 | 0 | 0 | 112.1 | Y1288 I1291 L1292 I1394 N1398 Q1400 L1405 I1406 | Y1288-L1402 HydrophobicContact CD1-CB 4.35Å; Y1288-L1402 HydrophobicContact CD1-CD2 3.93Å; Y1288-L1402 HydrophobicContact CD1-CG 3.89Å; I1291-L1402 HydrophobicContact CB-CD2 3.75Å; I1291-L1402 HydrophobicContact CD1-CD2 4.28Å; I1291-L1402 HydrophobicContact CG2-CD2 3.7Å; L1292-L1402 HydrophobicContact CD1-CD2 4.39Å; L1292-L1402 HydrophobicContact CD2-CD2 4.1Å; L1292-L1402 HydrophobicContact CG-CD2 3.9Å; I1394-L1402 HydrophobicContact CD1-CD1 3.84Å; I1394-L1402 HydrophobicContact CG1-CD1 3.96Å; N1398-L1402 PolarHBondContact O-N 3.03Å; Q1400-L1402 VanDerWaalsContact C-N 3.27Å; Q1400-L1402 PolarHBondContact O-N 2.85Å; L1402-L1405 HydrophobicContact CD1-CD2 4.33Å; L1402-L1405 PolarHBondContact O-N 2.9Å; L1402-I1406 HydrophobicContact CD1-CD1 3.86Å; L1402-I1406 HydrophobicContact CD1-CG1 4.38Å; L1402-I1406 HydrophobicContact CG-CD1 3.98Å; L1402-I1406 WeakPolarHBondContact O-CG1 3.46Å; L1402-I1406 PolarHBondContact O-N 2.62Å; L1402-I1406 VanDerWaalsContact O-N 3.12Å |
| 1403 | E | 92.9 | Very high | 89.2 | Confident | 7 Ų | 7 | 24 Ų | 24 | 3% | 0.033 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.3 | -49.5 | 168.1 | -177.1 | -179 | -171.2 | 0 | 0 | 110.2 | Y1282 Y1288 E1399 Q1400 L1405 I1406 S1407 Q1453 T1458 S1459 | Y1282-E1403 HydrophobicContact CD1-CG 4.36Å; Y1282-E1403 WeakPolarHBondContact CD1-OE1 3.48Å; Y1288-E1403 HydrophobicContact CD2-CB 4.36Å; Y1288-E1403 HydrophobicContact CE1-CB 4.26Å; Y1288-E1403 HydrophobicContact CE2-CB 3.78Å; Y1288-E1403 HydrophobicContact CE2-CG 4.04Å; E1399-E1403 PolarHBondContact O-N 2.77Å; Q1400-E1403 PolarHBondContact O-N 3.48Å; E1403-L1405 PolarHBondContact O-N 2.97Å; E1403-I1406 PolarHBondContact O-N 3.12Å; E1403-I1406 VanDerWaalsContact O-N 3.16Å; E1403-S1407 WeakPolarHBondContact O-CB 3.38Å; E1403-S1407 PolarHBondContact O-N 3.45Å; E1403-S1407 PolarHBondContact O-OG 2.83Å; E1403-Q1453 WeakPolarHBondContact OE2-CG 3.5Å; E1403-Q1453 PolarHBondContact OE2-NE2 2.85Å; E1403-T1458 VanDerWaalsContact OE1-CA 3.24Å; E1403-T1458 WeakPolarHBondContact OE1-CA 3.33Å; E1403-T1458 WeakPolarHBondContact OE1-CB 3.34Å; E1403-T1458 PolarHBondContact OE1-OG1 3.49Å; E1403-S1459 PolarHBondContact OE1-N 3.31Å; E1403-S1459 PolarHBondContact OE1-OG 3.02Å |
| 1404 | L | 91.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.2 | -17.8 | 179.3 | -59.2 | 175.6 | 0 | 0 | 0 | 114.3 | F1146 Q1400 E1401 G1408 L1409 A1449 K1450 | F1146-L1404 HydrophobicContact CE1-CB 3.98Å; F1146-L1404 HydrophobicContact CZ-CB 3.83Å; Q1400-L1404 WeakPolarHBondContact O-CG 3.33Å; Q1400-L1404 PolarHBondContact O-N 3.27Å; Q1400-L1404 VanDerWaalsContact O-N 3.09Å; E1401-L1404 PolarHBondContact O-N 2.67Å; L1404-G1408 WeakPolarHBondContact CD2-O 3.32Å; L1404-G1408 CarbonylContact O-C 3.44Å; L1404-G1408 VanDerWaalsContact O-CA 3.23Å; L1404-G1408 WeakPolarHBondContact O-CA 3.29Å; L1404-G1408 PolarHBondContact O-N 2.72Å; L1404-L1409 HydrophobicContact CB-CD2 4.46Å; L1404-L1409 HydrophobicContact CD1-CD2 4.02Å; L1404-L1409 HydrophobicContact CD2-CD2 4.24Å; L1404-L1409 HydrophobicContact CG-CD2 4.46Å; L1404-A1449 HydrophobicContact CD1-CB 4.24Å; L1404-A1449 HydrophobicContact CD2-CB 3.75Å; L1404-K1450 HydrophobicContact CD1-CG 4.15Å |
| 1405 | L | 92.5 | Very high | 89.6 | Confident | 9 Ų | 9 | 27.2 Ų | 27.2 | 5% | 0.047 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -80.4 | -39.1 | 173.3 | -176.6 | 68.6 | 0 | 0 | 0 | 111.8 | F1146 R1150 V1273 I1394 F1397 E1401 L1402 E1403 | F1146-L1405 HydrophobicContact CE2-CB 4.41Å; F1146-L1405 HydrophobicContact CZ-CB 4.36Å; R1150-L1405 HydrophobicContact CG-CD1 4.08Å; V1273-L1405 HydrophobicContact CG1-CD2 3.8Å; V1273-L1405 HydrophobicContact CG1-CG 4.01Å; I1394-L1405 HydrophobicContact CD1-CD2 3.7Å; F1397-L1405 HydrophobicContact CD2-CD2 3.91Å; F1397-L1405 HydrophobicContact CE2-CD2 3.55Å; F1397-L1405 HydrophobicContact CZ-CD1 4.25Å; F1397-L1405 HydrophobicContact CZ-CD2 4.04Å; E1401-L1405 VanDerWaalsContact O-CB 3.31Å; E1401-L1405 WeakPolarHBondContact O-CB 3.22Å; E1401-L1405 PolarHBondContact O-N 2.82Å; L1402-L1405 HydrophobicContact CD1-CD2 4.33Å; L1402-L1405 PolarHBondContact O-N 2.9Å; E1403-L1405 PolarHBondContact O-N 2.97Å |
| 1406 | I | 93.7 | Very high | 90 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -83.7 | -49.1 | -177.6 | -67 | 163.2 | 0 | 0 | 0 | 111 | I1269 V1273 Y1278 L1279 C1281 Y1288 L1402 E1403 | I1269-I1406 HydrophobicContact CG2-CD1 4.13Å; I1269-I1406 HydrophobicContact CG2-CG1 4.27Å; I1269-I1406 HydrophobicContact CG2-CG2 4.06Å; V1273-I1406 HydrophobicContact CG2-CB 4.45Å; V1273-I1406 HydrophobicContact CG2-CG1 3.6Å; Y1278-I1406 CarbonylContact C-O 3.56Å; Y1278-I1406 VanDerWaalsContact CA-O 3.27Å; Y1278-I1406 WeakPolarHBondContact CA-O 3.18Å; L1279-I1406 HydrophobicContact CB-CG2 4.45Å; L1279-I1406 PolarHBondContact N-O 3.09Å; C1281-I1406 WeakPolarHBondContact SG-CG2 3.15Å; Y1288-I1406 HydrophobicContact CE1-CD1 4Å; L1402-I1406 HydrophobicContact CD1-CD1 3.86Å; L1402-I1406 HydrophobicContact CD1-CG1 4.38Å; L1402-I1406 HydrophobicContact CG-CD1 3.98Å; L1402-I1406 WeakPolarHBondContact O-CG1 3.46Å; L1402-I1406 PolarHBondContact O-N 2.62Å; L1402-I1406 VanDerWaalsContact O-N 3.12Å; E1403-I1406 PolarHBondContact O-N 3.12Å; E1403-I1406 VanDerWaalsContact O-N 3.16Å |
| 1407 | S | 89.7 | Confident | 90.3 | Very high | 17 Ų | 17 | 25.8 Ų | 25.8 | 12% | 0.119 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -14 | -173.4 | -35.3 | 0 | 0 | 0 | 0 | 113 | L1279 C1281 E1403 | L1279-S1407 WeakPolarHBondContact O-CA 3.45Å; C1281-S1407 PolarHBondContact O-OG 2.82Å; E1403-S1407 WeakPolarHBondContact O-CB 3.38Å; E1403-S1407 PolarHBondContact O-N 3.45Å; E1403-S1407 PolarHBondContact O-OG 2.83Å |
| 1408 | G | 86.8 | Confident | 90.6 | Very high | 4 Ų | 4 | 28.6 Ų | 28.6 | 4% | 0.041 | 15% | 0.152 | C | C | . | . | trans | 89.5 | -177.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y1278 L1404 | Y1278-G1408 VanDerWaalsContact CE1-CA 3.47Å; L1404-G1408 WeakPolarHBondContact CD2-O 3.32Å; L1404-G1408 CarbonylContact O-C 3.44Å; L1404-G1408 VanDerWaalsContact O-CA 3.23Å; L1404-G1408 WeakPolarHBondContact O-CA 3.29Å; L1404-G1408 PolarHBondContact O-N 2.72Å | ||
| 1409 | L | 83.4 | Confident | 90.9 | Very high | 70 Ų | 70 | 34.7 Ų | 34.7 | 37% | 0.366 | 18% | 0.18 | S | C | . | . | trans | -95.5 | 116 | 176.9 | -77.7 | 166 | 0 | 0 | 0 | 109.8 | F1146 L1404 A1446 A1449 | F1146-L1409 HydrophobicContact CD1-CD1 4.49Å; F1146-L1409 HydrophobicContact CE1-CD1 4.28Å; F1146-L1409 HydrophobicContact CE1-CD2 4.45Å; F1146-L1409 HydrophobicContact CE1-CG 4.3Å; L1404-L1409 HydrophobicContact CB-CD2 4.46Å; L1404-L1409 HydrophobicContact CD1-CD2 4.02Å; L1404-L1409 HydrophobicContact CD2-CD2 4.24Å; L1404-L1409 HydrophobicContact CG-CD2 4.46Å; L1409-A1446 HydrophobicContact CD2-CB 3.93Å; L1409-A1449 HydrophobicContact CD2-CB 4.28Å | ||
| 1410 | P | 84.9 | Confident | 91.3 | Very high | 25 Ų | 25 | 35.8 Ų | 35.8 | 16% | 0.162 | 19% | 0.186 | C | C | . | . | trans | -69.8 | 149.2 | 177.4 | 31 | -38.5 | 0 | 0 | 0 | 112.1 | I1412 A1449 S1459 V1461 | P1410-I1412 HydrophobicContact CB-CG1 4.24Å; P1410-I1412 HydrophobicContact CG-CD1 4Å; P1410-I1412 HydrophobicContact CG-CG1 4.13Å; P1410-A1449 HydrophobicContact CG-CB 3.74Å; P1410-S1459 WeakPolarHBondContact CG-O 3.29Å; P1410-V1461 HydrophobicContact CB-CG2 4.02Å | ||
| 1411 | I | 86.2 | Confident | 91.8 | Very high | 147 Ų | 147 | 35.5 Ų | 35.5 | 75% | 0.754 | 19% | 0.185 | S | C | * | . | trans | -87.5 | 109.3 | 163.3 | -58.8 | 177 | 0 | 0 | 0 | 106.8 | ||||
| 1412 | I | 90.2 | Very high | 92 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 6% | 0.062 | 20% | 0.2 | C | C | . | . | trans | -99 | 115.2 | -179.4 | -68 | 165.3 | 0 | 0 | 0 | 109.1 | P1410 I1414 R1448 L1452 V1461 F1466 | P1410-I1412 HydrophobicContact CB-CG1 4.24Å; P1410-I1412 HydrophobicContact CG-CD1 4Å; P1410-I1412 HydrophobicContact CG-CG1 4.13Å; I1412-I1414 PolarHBondContact O-N 2.78Å; I1412-R1448 HydrophobicContact CD1-CB 4.14Å; I1412-R1448 WeakPolarHBondContact CD1-O 3.24Å; I1412-L1452 HydrophobicContact CD1-CB 3.92Å; I1412-L1452 HydrophobicContact CD1-CD2 3.9Å; I1412-L1452 HydrophobicContact CG1-CD2 4.26Å; I1412-V1461 HydrophobicContact CG1-CG2 3.91Å; I1412-F1466 HydrophobicContact CG2-CE2 4.16Å; I1412-F1466 HydrophobicContact CG2-CZ 4.07Å | ||
| 1413 | D | 92.8 | Very high | 92.2 | Very high | 87 Ų | 87 | 40.6 Ų | 40.6 | 47% | 0.465 | 21% | 0.207 | S | C | . | . | trans | -71.6 | 118.4 | 166.3 | -172 | -15 | 0 | 0 | 0 | 109.6 | D1415 D1416 L1417 | D1413-D1415 WeakPolarHBondContact OD1-CA 3.49Å; D1413-D1415 WeakPolarHBondContact OD1-CB 3.36Å; D1413-D1415 PolarHBondContact OD1-N 3.06Å; D1413-D1416 HydrophobicContact CB-CB 4.13Å; D1413-D1416 PolarHBondContact OD1-N 3.18Å; D1413-L1417 WeakPolarHBondContact O-CB 3.3Å; D1413-L1417 PolarHBondContact O-N 2.63Å | ||
| 1414 | I | 94.2 | Very high | 92.3 | Very high | 8 Ų | 8 | 43.5 Ų | 43.5 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -81.7 | -27.5 | 179 | -62.7 | 173.5 | 0 | 0 | 0 | 110.7 | I1412 Q1418 W1437 V1440 R1441 | I1412-I1414 PolarHBondContact O-N 2.78Å; I1414-Q1418 WeakPolarHBondContact O-CB 3.47Å; I1414-Q1418 PolarHBondContact O-N 3.06Å; I1414-W1437 HydrophobicContact CG2-CE3 3.79Å; I1414-W1437 HydrophobicContact CG2-CZ3 3.98Å; I1414-V1440 HydrophobicContact CD1-CG1 4.02Å; I1414-V1440 HydrophobicContact CG1-CG1 4.29Å; I1414-R1441 HydrophobicContact CD1-CB 4.42Å; I1414-R1441 HydrophobicContact CD1-CG 3.8Å; I1414-R1441 HydrophobicContact CG2-CG 3.9Å |
| 1415 | D | 94 | Very high | 92.5 | Very high | 80 Ų | 80 | 50.4 Ų | 50.4 | 43% | 0.428 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -75.6 | -39.7 | -179.1 | -71.7 | -63.2 | 0 | 0 | 0 | 111.5 | D1413 Q1419 R1441 | D1413-D1415 WeakPolarHBondContact OD1-CA 3.49Å; D1413-D1415 WeakPolarHBondContact OD1-CB 3.36Å; D1413-D1415 PolarHBondContact OD1-N 3.06Å; D1415-Q1419 WeakPolarHBondContact O-CB 3.03Å; D1415-Q1419 WeakPolarHBondContact O-CG 3.08Å; D1415-Q1419 PolarHBondContact O-N 2.97Å; D1415-Q1419 PolarHBondContact O-NE2 3.34Å; D1415-R1441 VanDerWaalsContact CG-NH1 3.31Å; D1415-R1441 IonicContact OD1-CZ 2.75Å; D1415-R1441 IonicContact OD1-NH1 2.7Å; D1415-R1441 PolarHBondContact OD1-NH1 3.12Å; D1415-R1441 VanDerWaalsContact OD1-NH1 3.07Å; D1415-R1441 IonicContact OD1-NH2 2.71Å; D1415-R1441 PolarHBondContact OD1-NH2 3.22Å; D1415-R1441 IonicContact OD2-CZ 3.32Å; D1415-R1441 IonicContact OD2-NH1 3.14Å; D1415-R1441 PolarHBondContact OD2-NH1 3.35Å; D1415-R1441 IonicContact OD2-NH2 2.67Å |
| 1416 | D | 95.2 | Very high | 92.6 | Very high | 33 Ų | 33 | 50.5 Ų | 50.5 | 18% | 0.176 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.7 | -51 | 167.7 | 175.6 | 30.2 | 0 | 0 | 0 | 111.4 | D1413 Q1418 Q1419 N1420 G1465 F1466 | D1413-D1416 HydrophobicContact CB-CB 4.13Å; D1413-D1416 PolarHBondContact OD1-N 3.18Å; D1416-Q1418 VanDerWaalsContact C-N 3.33Å; D1416-Q1418 PolarHBondContact O-N 3.12Å; D1416-Q1419 WeakPolarHBondContact O-CB 3.34Å; D1416-Q1419 PolarHBondContact O-N 2.96Å; D1416-Q1419 VanDerWaalsContact O-N 3.16Å; D1416-N1420 PolarHBondContact O-N 3.16Å; D1416-N1420 PolarHBondContact O-ND2 3.23Å; D1416-N1420 PolarHBondContact OD1-ND2 3.42Å; D1416-G1465 VanDerWaalsContact OD2-CA 3.32Å; D1416-G1465 WeakPolarHBondContact OD2-CA 3.43Å; D1416-F1466 HydrophobicContact CB-CD2 4.28Å; D1416-F1466 VanDerWaalsContact OD2-CD2 3.26Å; D1416-F1466 WeakPolarHBondContact OD2-CD2 3.41Å; D1416-F1466 PolarHBondContact OD2-N 2.78Å |
| 1417 | L | 94.5 | Very high | 92.7 | Very high | 11 Ų | 11 | 53.7 Ų | 53.7 | 6% | 0.058 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.1 | -45.9 | 179.2 | -173.2 | 66.5 | 0 | 0 | 0 | 111.5 | D1413 Q1419 N1420 T1421 W1437 F1466 F1478 | D1413-L1417 WeakPolarHBondContact O-CB 3.3Å; D1413-L1417 PolarHBondContact O-N 2.63Å; L1417-Q1419 PolarHBondContact O-N 2.76Å; L1417-N1420 CarbonylContact O-C 3.28Å; L1417-N1420 PolarHBondContact O-N 2.92Å; L1417-T1421 PolarHBondContact O-N 3.38Å; L1417-T1421 PolarHBondContact O-OG1 2.95Å; L1417-W1437 HydrophobicContact CD2-CH2 4.17Å; L1417-W1437 HydrophobicContact CD2-CZ3 4.16Å; L1417-W1437 HydrophobicContact CG-CH2 3.99Å; L1417-W1437 HydrophobicContact CG-CZ3 4.33Å; L1417-F1466 HydrophobicContact CB-CD2 3.63Å; L1417-F1466 HydrophobicContact CB-CE2 3.89Å; L1417-F1466 HydrophobicContact CB-CG 4.17Å; L1417-F1466 HydrophobicContact CD1-CB 4.07Å; L1417-F1466 HydrophobicContact CD1-CD1 3.61Å; L1417-F1466 HydrophobicContact CD1-CD2 3.88Å; L1417-F1466 HydrophobicContact CD1-CE1 3.97Å; L1417-F1466 HydrophobicContact CD1-CE2 4.2Å; L1417-F1466 HydrophobicContact CD1-CG 3.57Å; L1417-F1466 HydrophobicContact CD1-CZ 4.24Å; L1417-F1466 HydrophobicContact CG-CD2 4.33Å; L1417-F1466 HydrophobicContact CG-CG 4.47Å; L1417-F1478 HydrophobicContact CD1-CB 4.1Å; L1417-F1478 HydrophobicContact CD1-CD1 3.79Å; L1417-F1478 HydrophobicContact CD1-CG 4.22Å; L1417-F1478 HydrophobicContact CD2-CD1 4.45Å; L1417-F1478 HydrophobicContact CG-CD1 4Å; L1417-F1478 HydrophobicContact CG-CE1 4.49Å |
| 1418 | Q | 95.4 | Very high | 92.9 | Very high | 61 Ų | 61 | 59 Ų | 59 | 29% | 0.285 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.9 | -32.5 | 179.7 | -179.5 | 170.4 | -7.4 | 0 | 0 | 113.1 | I1414 D1416 W1437 | I1414-Q1418 WeakPolarHBondContact O-CB 3.47Å; I1414-Q1418 PolarHBondContact O-N 3.06Å; D1416-Q1418 VanDerWaalsContact C-N 3.33Å; D1416-Q1418 PolarHBondContact O-N 3.12Å; Q1418-W1437 HydrophobicContact CB-CD2 3.95Å; Q1418-W1437 HydrophobicContact CB-CE3 3.92Å; Q1418-W1437 HydrophobicContact CB-CH2 3.88Å; Q1418-W1437 HydrophobicContact CB-CZ2 3.9Å; Q1418-W1437 HydrophobicContact CB-CZ3 3.88Å; Q1418-W1437 HydrophobicContact CG-CD2 3.76Å; Q1418-W1437 HydrophobicContact CG-CE3 4.25Å; Q1418-W1437 HydrophobicContact CG-CG 4.12Å; Q1418-W1437 HydrophobicContact CG-CH2 4.49Å; Q1418-W1437 HydrophobicContact CG-CZ2 4.03Å |
| 1419 | Q | 94.7 | Very high | 93.1 | Very high | 136 Ų | 136 | 63 Ų | 63 | 64% | 0.636 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -65.4 | -48.2 | 172.1 | -78.4 | 171.6 | 83.3 | 0 | 0 | 110.8 | D1415 D1416 L1417 T1421 K1428 | D1415-Q1419 WeakPolarHBondContact O-CB 3.03Å; D1415-Q1419 WeakPolarHBondContact O-CG 3.08Å; D1415-Q1419 PolarHBondContact O-N 2.97Å; D1415-Q1419 PolarHBondContact O-NE2 3.34Å; D1416-Q1419 WeakPolarHBondContact O-CB 3.34Å; D1416-Q1419 PolarHBondContact O-N 2.96Å; D1416-Q1419 VanDerWaalsContact O-N 3.16Å; L1417-Q1419 PolarHBondContact O-N 2.76Å; Q1419-T1421 VanDerWaalsContact C-N 3.33Å; Q1419-T1421 PolarHBondContact O-N 3.15Å; Q1419-K1428 PolarHBondContact O-NZ 3.19Å |
| 1420 | N | 94.9 | Very high | 93.7 | Very high | 26 Ų | 26 | 60.9 Ų | 60.9 | 14% | 0.139 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 15.8 | -176.9 | -76.1 | -66.4 | 0 | 0 | 0 | 115.2 | D1416 L1417 F1466 A1467 R1477 | D1416-N1420 PolarHBondContact O-N 3.16Å; D1416-N1420 PolarHBondContact O-ND2 3.23Å; D1416-N1420 PolarHBondContact OD1-ND2 3.42Å; L1417-N1420 CarbonylContact O-C 3.28Å; L1417-N1420 PolarHBondContact O-N 2.92Å; N1420-F1466 HydrophobicContact CB-CB 4.18Å; N1420-A1467 VanDerWaalsContact CG-CA 3.5Å; N1420-A1467 PolarHBondContact ND2-N 2.87Å; N1420-A1467 WeakPolarHBondContact OD1-CA 3.44Å; N1420-A1467 WeakPolarHBondContact OD1-CB 3.36Å; N1420-R1477 WeakPolarHBondContact O-CB 3.48Å; N1420-R1477 WeakPolarHBondContact O-CD 3.28Å; N1420-R1477 WeakPolarHBondContact O-CG 3.25Å |
| 1421 | T | 96.5 | Very high | 94.2 | Very high | 6 Ų | 6 | 62.9 Ų | 62.9 | 4% | 0.037 | 32% | 0.321 | C | S | . | . | trans | -88 | 136.5 | 173.8 | -56 | 0 | 0 | 0 | 0 | 112.3 | L1417 Q1419 Y1423 W1437 F1478 I1480 | L1417-T1421 PolarHBondContact O-N 3.38Å; L1417-T1421 PolarHBondContact O-OG1 2.95Å; Q1419-T1421 VanDerWaalsContact C-N 3.33Å; Q1419-T1421 PolarHBondContact O-N 3.15Å; T1421-Y1423 WeakPolarHBondContact CB-OH 3.48Å; T1421-Y1423 HydrophobicContact CG2-CD1 4.41Å; T1421-Y1423 HydrophobicContact CG2-CD2 4.39Å; T1421-Y1423 HydrophobicContact CG2-CE1 3.79Å; T1421-Y1423 HydrophobicContact CG2-CE2 3.75Å; T1421-Y1423 VanDerWaalsContact CG2-CZ 3.44Å; T1421-Y1423 WeakPolarHBondContact O-CD2 3.29Å; T1421-Y1423 WeakPolarHBondContact O-CE2 3.49Å; T1421-W1437 HydrophobicContact CG2-CZ2 4.13Å; T1421-W1437 WeakPolarHBondContact OG1-CH2 3.34Å; T1421-W1437 WeakPolarHBondContact OG1-CZ2 3.44Å; T1421-F1478 CarbonylContact C-O 3.07Å; T1421-F1478 WeakPolarHBondContact CA-O 3.23Å; T1421-F1478 HydrophobicContact CG2-CD1 3.76Å; T1421-F1478 HydrophobicContact CG2-CE1 3.85Å; T1421-F1478 HydrophobicContact CG2-CG 4.49Å; T1421-F1478 VanDerWaalsContact OG1-CD1 3.26Å; T1421-F1478 WeakPolarHBondContact OG1-CD1 3.43Å; T1421-I1480 HydrophobicContact CG2-CD1 4.04Å; T1421-I1480 HydrophobicContact CG2-CG1 3.94Å | ||
| 1422 | E | 95.9 | Very high | 94.7 | Very high | 73 Ų | 73 | 57.6 Ų | 57.6 | 34% | 0.341 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 152.4 | 171.8 | -57.1 | -166.8 | 167.4 | 0 | 0 | 111.4 | R1477 F1478 Q1479 I1480 | E1422-R1477 HydrophobicContact CG-CB 4.16Å; E1422-R1477 VanDerWaalsContact OE1-CD 3.28Å; E1422-R1477 WeakPolarHBondContact OE1-CD 3.37Å; E1422-R1477 IonicContact OE1-CZ 3.82Å; E1422-R1477 IonicContact OE1-NE 3.98Å; E1422-R1477 IonicContact OE1-NH1 3.77Å; E1422-R1477 PolarHBondContact OE1-NH1 3.45Å; E1422-F1478 PolarHBondContact N-O 3.43Å; E1422-Q1479 HydrophobicContact CB-CB 4.29Å; E1422-Q1479 CarbonylContact O-C 3.45Å; E1422-Q1479 VanDerWaalsContact O-CA 3.31Å; E1422-Q1479 WeakPolarHBondContact O-CA 3.31Å; E1422-I1480 PolarHBondContact O-N 3.49Å |
| 1423 | Y | 96.8 | Very high | 95.1 | Very high | 40 Ų | 40 | 57 Ų | 57 | 16% | 0.157 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 121.5 | -167.7 | -60.4 | -90 | 0 | 0 | 0 | 111.6 | T1421 K1428 I1433 W1437 I1480 | T1421-Y1423 WeakPolarHBondContact CB-OH 3.48Å; T1421-Y1423 HydrophobicContact CG2-CD1 4.41Å; T1421-Y1423 HydrophobicContact CG2-CD2 4.39Å; T1421-Y1423 HydrophobicContact CG2-CE1 3.79Å; T1421-Y1423 HydrophobicContact CG2-CE2 3.75Å; T1421-Y1423 VanDerWaalsContact CG2-CZ 3.44Å; T1421-Y1423 WeakPolarHBondContact O-CD2 3.29Å; T1421-Y1423 WeakPolarHBondContact O-CE2 3.49Å; Y1423-K1428 HydrophobicContact CD2-CG 3.89Å; Y1423-K1428 HydrophobicContact CE2-CD 4.16Å; Y1423-K1428 HydrophobicContact CE2-CG 3.51Å; Y1423-I1433 HydrophobicContact CD1-CD1 3.8Å; Y1423-I1433 HydrophobicContact CD1-CG1 3.93Å; Y1423-I1433 HydrophobicContact CD1-CG2 4.11Å; Y1423-I1433 HydrophobicContact CE1-CB 4.31Å; Y1423-I1433 HydrophobicContact CE1-CD1 3.84Å; Y1423-I1433 HydrophobicContact CE1-CG1 3.99Å; Y1423-I1433 HydrophobicContact CE1-CG2 3.36Å; Y1423-W1437 PolarHBondContact OH-NE1 2.9Å; Y1423-I1480 HydrophobicContact CD1-CB 4.29Å; Y1423-I1480 HydrophobicContact CE1-CD1 4.12Å |
| 1424 | H | 95.5 | Very high | 95.2 | Very high | 67 Ų | 67 | 58.1 Ų | 58.1 | 31% | 0.31 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 122.2 | -174.6 | -63.9 | -104.9 | 0 | 0 | 0 | 109.9 | Y1426 Q1479 I1480 H1481 R1482 | H1424-Y1426 PolarHBondContact O-N 3.06Å; H1424-Q1479 PolarHBondContact NE2-OE1 3.04Å; H1424-I1480 PolarHBondContact N-O 3.45Å; H1424-H1481 HydrophobicContact CB-CB 4.47Å; H1424-H1481 AromaticContact CD2-CD2 3.81Å; H1424-H1481 AromaticContact CD2-NE2 3.27Å; H1424-H1481 PolarHBondContact CD2-NE2 2.96Å; H1424-H1481 VanDerWaalsContact CD2-NE2 3.27Å; H1424-H1481 AromaticContact CE1-NE2 3.88Å; H1424-H1481 AromaticContact CG-CD2 3.88Å; H1424-H1481 AromaticContact CG-CE1 3.74Å; H1424-H1481 AromaticContact CG-ND1 4Å; H1424-H1481 AromaticContact CG-NE2 3.54Å; H1424-H1481 AromaticContact ND1-CE1 3.68Å; H1424-H1481 AromaticContact ND1-NE2 3.89Å; H1424-H1481 AromaticContact NE2-NE2 3.56Å; H1424-R1482 PolarHBondContact O-N 3.41Å; H1424-R1482 VanDerWaalsContact O-N 3.16Å |
| 1425 | K | 94.3 | Very high | 95.4 | Very high | 145 Ų | 145 | 60.5 Ų | 60.5 | 63% | 0.63 | 30% | 0.301 | S | S | * | . | S | Bend | trans | 60.5 | -16.7 | -165 | -49.9 | 166.1 | 179.2 | 176.3 | 0 | 115.5 | R1482 D1484 | K1425-R1482 HydrophobicContact CB-CB 3.77Å; K1425-R1482 HydrophobicContact CD-CB 3.87Å; K1425-R1482 WeakPolarHBondContact CD-O 3.49Å; K1425-R1482 PolarHBondContact NZ-O 3.03Å; K1425-D1484 IonicContact NZ-OD2 3.45Å; K1425-D1484 PolarHBondContact NZ-OD2 3.31Å |
| 1426 | Y | 96 | Very high | 95.5 | Very high | 11 Ų | 11 | 56.7 Ų | 56.7 | 4% | 0.043 | 28% | 0.281 | C | S | . | . | trans | -96.3 | 170 | 168 | -78.8 | -54.9 | 0 | 0 | 0 | 112.2 | H1424 Q1432 I1433 I1480 R1482 L1502 P1503 P1504 | H1424-Y1426 PolarHBondContact O-N 3.06Å; Y1426-Q1432 HydrophobicContact CE1-CB 4.06Å; Y1426-Q1432 HydrophobicContact CE1-CG 4.49Å; Y1426-I1433 HydrophobicContact CD1-CG1 4.35Å; Y1426-I1433 HydrophobicContact CD2-CD1 3.95Å; Y1426-I1433 HydrophobicContact CD2-CG1 4.46Å; Y1426-I1433 HydrophobicContact CG-CD1 4Å; Y1426-I1433 HydrophobicContact CG-CG1 4.01Å; Y1426-I1480 HydrophobicContact CD2-CG2 4.33Å; Y1426-R1482 HydrophobicContact CD2-CB 3.7Å; Y1426-R1482 HydrophobicContact CD2-CG 4.39Å; Y1426-R1482 HydrophobicContact CE1-CB 4.39Å; Y1426-R1482 HydrophobicContact CE1-CG 4.14Å; Y1426-R1482 HydrophobicContact CE2-CB 3.47Å; Y1426-R1482 VanDerWaalsContact CE2-CB 3.47Å; Y1426-R1482 HydrophobicContact CE2-CG 3.76Å; Y1426-R1482 HydrophobicContact CG-CB 4.26Å; Y1426-L1502 HydrophobicContact CE2-CB 4.21Å; Y1426-L1502 HydrophobicContact CE2-CD2 4.38Å; Y1426-L1502 HydrophobicContact CE2-CG 4.5Å; Y1426-L1502 PolarHBondContact OH-O 2.63Å; Y1426-P1503 PolarHBondContact OH-O 3.49Å; Y1426-P1504 VanDerWaalsContact OH-CA 3.29Å; Y1426-P1504 WeakPolarHBondContact OH-CA 3.26Å | ||
| 1427 | T | 94.4 | Very high | 95.6 | Very high | 68 Ų | 68 | 55.6 Ų | 55.6 | 42% | 0.417 | 27% | 0.274 | S | S | . | . | trans | -131.1 | 160.7 | 173.7 | 62.1 | 0 | 0 | 0 | 0 | 110.2 | S1429 S1430 | T1427-S1429 PolarHBondContact O-N 3.1Å; T1427-S1429 PolarHBondContact OG1-N 2.84Å; T1427-S1429 PolarHBondContact OG1-OG 2.93Å; T1427-S1430 PolarHBondContact N-OG 2.96Å; T1427-S1430 VanDerWaalsContact O-CB 3.26Å; T1427-S1430 WeakPolarHBondContact O-CB 3.28Å; T1427-S1430 PolarHBondContact O-N 3.36Å; T1427-S1430 PolarHBondContact O-OG 3Å; T1427-S1430 PolarHBondContact OG1-N 3.48Å; T1427-S1430 VanDerWaalsContact OG1-N 3.1Å; T1427-S1430 PolarHBondContact OG1-OG 3.15Å | ||
| 1428 | K | 93.3 | Very high | 95.6 | Very high | 130 Ų | 130 | 62.3 Ų | 62.3 | 57% | 0.565 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -21.5 | 169.6 | -69.9 | -172.5 | 173.3 | -172 | 0 | 113.1 | Q1419 Y1423 | Q1419-K1428 PolarHBondContact O-NZ 3.19Å; Y1423-K1428 HydrophobicContact CD2-CG 3.89Å; Y1423-K1428 HydrophobicContact CE2-CD 4.16Å; Y1423-K1428 HydrophobicContact CE2-CG 3.51Å |
| 1429 | S | 92.5 | Very high | 95.6 | Very high | 87 Ų | 87 | 59.4 Ų | 59.4 | 61% | 0.608 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -2.7 | 174.9 | 55.3 | 0 | 0 | 0 | 0 | 115.1 | T1427 | T1427-S1429 PolarHBondContact O-N 3.1Å; T1427-S1429 PolarHBondContact OG1-N 2.84Å; T1427-S1429 PolarHBondContact OG1-OG 2.93Å |
| 1430 | S | 95.8 | Very high | 95.6 | Very high | 25 Ų | 25 | 53 Ų | 53 | 18% | 0.175 | 26% | 0.255 | C | S | . | . | trans | -71.7 | 137.5 | -178.5 | -69 | 0 | 0 | 0 | 0 | 111.4 | T1427 Q1432 I1433 Q1434 | T1427-S1430 PolarHBondContact N-OG 2.96Å; T1427-S1430 VanDerWaalsContact O-CB 3.26Å; T1427-S1430 WeakPolarHBondContact O-CB 3.28Å; T1427-S1430 PolarHBondContact O-N 3.36Å; T1427-S1430 PolarHBondContact O-OG 3Å; T1427-S1430 PolarHBondContact OG1-N 3.48Å; T1427-S1430 VanDerWaalsContact OG1-N 3.1Å; T1427-S1430 PolarHBondContact OG1-OG 3.15Å; S1430-Q1432 VanDerWaalsContact C-N 3.34Å; S1430-Q1432 PolarHBondContact O-N 3.41Å; S1430-I1433 WeakPolarHBondContact O-CA 3.44Å; S1430-I1433 WeakPolarHBondContact O-CB 3.37Å; S1430-I1433 PolarHBondContact O-N 3.31Å; S1430-Q1434 PolarHBondContact O-N 2.87Å | ||
| 1431 | V | 95.7 | Very high | 95.6 | Very high | 68 Ų | 68 | 56.5 Ų | 56.5 | 41% | 0.412 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58 | -44 | -174 | 177.7 | 0 | 0 | 0 | 0 | 112 | I1433 Q1434 W1435 | V1431-I1433 VanDerWaalsContact C-N 3.27Å; V1431-I1433 PolarHBondContact O-N 3.43Å; V1431-Q1434 PolarHBondContact O-N 3.14Å; V1431-W1435 HydrophobicContact CG1-CD2 3.76Å; V1431-W1435 HydrophobicContact CG1-CE3 4.07Å; V1431-W1435 HydrophobicContact CG1-CG 4.45Å; V1431-W1435 HydrophobicContact CG1-CH2 3.64Å; V1431-W1435 HydrophobicContact CG1-CZ2 3.29Å; V1431-W1435 HydrophobicContact CG1-CZ3 4.01Å; V1431-W1435 WeakPolarHBondContact O-CB 3.32Å; V1431-W1435 VanDerWaalsContact O-CG 3.27Å; V1431-W1435 PolarHBondContact O-N 2.9Å |
| 1432 | Q | 96.3 | Very high | 95.3 | Very high | 35 Ų | 35 | 58.6 Ų | 58.6 | 16% | 0.164 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.1 | -28.8 | 176.3 | -68.8 | 80.2 | 9.1 | 0 | 0 | 113.3 | Y1426 S1430 W1435 F1436 L1502 Y1505 L1511 | Y1426-Q1432 HydrophobicContact CE1-CB 4.06Å; Y1426-Q1432 HydrophobicContact CE1-CG 4.49Å; S1430-Q1432 VanDerWaalsContact C-N 3.34Å; S1430-Q1432 PolarHBondContact O-N 3.41Å; Q1432-W1435 HydrophobicContact CG-CE3 4.41Å; Q1432-F1436 VanDerWaalsContact O-CB 3.31Å; Q1432-F1436 WeakPolarHBondContact O-CB 3.21Å; Q1432-F1436 PolarHBondContact O-N 3.41Å; Q1432-L1502 HydrophobicContact CB-CD2 4.37Å; Q1432-Y1505 PolarHBondContact NE2-O 3.32Å; Q1432-L1511 HydrophobicContact CB-CD1 3.93Å; Q1432-L1511 HydrophobicContact CG-CD1 4.21Å; Q1432-L1511 WeakPolarHBondContact O-CD1 3.22Å |
| 1433 | I | 97.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -74.8 | -41.3 | 175.9 | -62.3 | -52.2 | 0 | 0 | 0 | 111 | Y1423 Y1426 S1430 V1431 W1435 F1436 W1437 I1480 L1502 | Y1423-I1433 HydrophobicContact CD1-CD1 3.8Å; Y1423-I1433 HydrophobicContact CD1-CG1 3.93Å; Y1423-I1433 HydrophobicContact CD1-CG2 4.11Å; Y1423-I1433 HydrophobicContact CE1-CB 4.31Å; Y1423-I1433 HydrophobicContact CE1-CD1 3.84Å; Y1423-I1433 HydrophobicContact CE1-CG1 3.99Å; Y1423-I1433 HydrophobicContact CE1-CG2 3.36Å; Y1426-I1433 HydrophobicContact CD1-CG1 4.35Å; Y1426-I1433 HydrophobicContact CD2-CD1 3.95Å; Y1426-I1433 HydrophobicContact CD2-CG1 4.46Å; Y1426-I1433 HydrophobicContact CG-CD1 4Å; Y1426-I1433 HydrophobicContact CG-CG1 4.01Å; S1430-I1433 WeakPolarHBondContact O-CA 3.44Å; S1430-I1433 WeakPolarHBondContact O-CB 3.37Å; S1430-I1433 PolarHBondContact O-N 3.31Å; V1431-I1433 VanDerWaalsContact C-N 3.27Å; V1431-I1433 PolarHBondContact O-N 3.43Å; I1433-W1435 VanDerWaalsContact C-N 3.3Å; I1433-W1435 PolarHBondContact O-N 2.97Å; I1433-F1436 PolarHBondContact O-N 3.39Å; I1433-W1437 PolarHBondContact O-N 2.67Å; I1433-I1480 HydrophobicContact CD1-CB 4.25Å; I1433-I1480 HydrophobicContact CD1-CD1 4.18Å; I1433-I1480 HydrophobicContact CD1-CG2 3.75Å; I1433-L1502 HydrophobicContact CD1-CD2 4.3Å |
| 1434 | Q | 96.1 | Very high | 94.6 | Very high | 110 Ų | 110 | 57.3 Ų | 57.3 | 51% | 0.514 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 172.4 | -64.8 | 178.3 | -4.6 | 0 | 0 | 111.3 | S1430 V1431 R1438 | S1430-Q1434 PolarHBondContact O-N 2.87Å; V1431-Q1434 PolarHBondContact O-N 3.14Å; Q1434-R1438 VanDerWaalsContact O-CB 3.29Å; Q1434-R1438 WeakPolarHBondContact O-CB 3.17Å; Q1434-R1438 PolarHBondContact O-N 2.88Å |
| 1435 | W | 97.1 | Very high | 94 | Very high | 58 Ų | 58 | 58.6 Ų | 58.6 | 22% | 0.22 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.9 | -38.9 | 174.4 | -70.1 | -8.1 | 0 | 0 | 0 | 113 | V1431 Q1432 I1433 R1438 A1439 E1506 S1507 Y1508 L1511 | V1431-W1435 HydrophobicContact CG1-CD2 3.76Å; V1431-W1435 HydrophobicContact CG1-CE3 4.07Å; V1431-W1435 HydrophobicContact CG1-CG 4.45Å; V1431-W1435 HydrophobicContact CG1-CH2 3.64Å; V1431-W1435 HydrophobicContact CG1-CZ2 3.29Å; V1431-W1435 HydrophobicContact CG1-CZ3 4.01Å; V1431-W1435 WeakPolarHBondContact O-CB 3.32Å; V1431-W1435 VanDerWaalsContact O-CG 3.27Å; V1431-W1435 PolarHBondContact O-N 2.9Å; Q1432-W1435 HydrophobicContact CG-CE3 4.41Å; I1433-W1435 VanDerWaalsContact C-N 3.3Å; I1433-W1435 PolarHBondContact O-N 2.97Å; W1435-R1438 PolarHBondContact O-N 3.28Å; W1435-A1439 VanDerWaalsContact O-CB 3.29Å; W1435-A1439 WeakPolarHBondContact O-CB 3.16Å; W1435-A1439 PolarHBondContact O-N 2.82Å; W1435-E1506 WeakPolarHBondContact CH2-O 3.28Å; W1435-S1507 VanDerWaalsContact CE3-C 3.48Å; W1435-S1507 VanDerWaalsContact CZ3-CA 3.42Å; W1435-Y1508 HydrophobicContact CB-CD2 3.86Å; W1435-Y1508 AromaticContact CG-CD2 3.94Å; W1435-Y1508 HydrophobicContact CG-CD2 3.94Å; W1435-Y1508 HydrophobicContact CG-CG 4.44Å; W1435-L1511 HydrophobicContact CB-CD1 3.93Å; W1435-L1511 HydrophobicContact CB-CD2 4.42Å; W1435-L1511 HydrophobicContact CE3-CD1 4.38Å |
| 1436 | F | 97.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.3 | -56.1 | 173 | 175.7 | -94.5 | 0 | 0 | 0 | 111 | Q1432 I1433 R1438 A1439 V1440 L1451 F1478 I1480 L1500 L1502 L1511 L1515 | Q1432-F1436 VanDerWaalsContact O-CB 3.31Å; Q1432-F1436 WeakPolarHBondContact O-CB 3.21Å; Q1432-F1436 PolarHBondContact O-N 3.41Å; I1433-F1436 PolarHBondContact O-N 3.39Å; F1436-R1438 VanDerWaalsContact C-N 3.31Å; F1436-R1438 PolarHBondContact O-N 2.92Å; F1436-A1439 WeakPolarHBondContact O-CA 3.23Å; F1436-A1439 WeakPolarHBondContact O-CB 3.24Å; F1436-A1439 PolarHBondContact O-N 2.95Å; F1436-V1440 HydrophobicContact CD1-CG2 4.25Å; F1436-V1440 HydrophobicContact CD2-CG2 4.37Å; F1436-V1440 HydrophobicContact CE1-CG2 3.88Å; F1436-V1440 HydrophobicContact CE2-CG2 4Å; F1436-V1440 HydrophobicContact CG-CG2 4.48Å; F1436-V1440 HydrophobicContact CZ-CG2 3.74Å; F1436-V1440 WeakPolarHBondContact O-CG2 3.44Å; F1436-V1440 PolarHBondContact O-N 3.27Å; F1436-L1451 HydrophobicContact CZ-CD2 4.32Å; F1436-F1478 HydrophobicContact CE1-CE1 4.14Å; F1436-F1478 HydrophobicContact CE1-CZ 4.09Å; F1436-F1478 HydrophobicContact CZ-CE1 4.27Å; F1436-F1478 AromaticContact CZ-CZ 3.82Å; F1436-F1478 HydrophobicContact CZ-CZ 3.82Å; F1436-I1480 HydrophobicContact CD1-CD1 3.74Å; F1436-I1480 HydrophobicContact CE1-CD1 3.66Å; F1436-I1480 HydrophobicContact CG-CD1 4.27Å; F1436-I1480 HydrophobicContact CZ-CD1 4.12Å; F1436-L1500 HydrophobicContact CD2-CD2 4.17Å; F1436-L1500 HydrophobicContact CE2-CD2 3.43Å; F1436-L1500 VanDerWaalsContact CE2-CD2 3.43Å; F1436-L1500 HydrophobicContact CZ-CD2 3.97Å; F1436-L1502 HydrophobicContact CB-CD2 4.34Å; F1436-L1511 HydrophobicContact CB-CD2 4.46Å; F1436-L1515 HydrophobicContact CD2-CD2 3.68Å; F1436-L1515 HydrophobicContact CE2-CD1 4.26Å; F1436-L1515 HydrophobicContact CE2-CD2 3.75Å |
| 1437 | W | 97 | Very high | 93.1 | Very high | 9 Ų | 9 | 52.6 Ų | 52.6 | 3% | 0.034 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63 | -35.9 | -179.8 | -67.7 | 116.4 | 0 | 0 | 0 | 113.3 | I1414 L1417 Q1418 T1421 Y1423 I1433 R1441 F1478 I1480 | I1414-W1437 HydrophobicContact CG2-CE3 3.79Å; I1414-W1437 HydrophobicContact CG2-CZ3 3.98Å; L1417-W1437 HydrophobicContact CD2-CH2 4.17Å; L1417-W1437 HydrophobicContact CD2-CZ3 4.16Å; L1417-W1437 HydrophobicContact CG-CH2 3.99Å; L1417-W1437 HydrophobicContact CG-CZ3 4.33Å; Q1418-W1437 HydrophobicContact CB-CD2 3.95Å; Q1418-W1437 HydrophobicContact CB-CE3 3.92Å; Q1418-W1437 HydrophobicContact CB-CH2 3.88Å; Q1418-W1437 HydrophobicContact CB-CZ2 3.9Å; Q1418-W1437 HydrophobicContact CB-CZ3 3.88Å; Q1418-W1437 HydrophobicContact CG-CD2 3.76Å; Q1418-W1437 HydrophobicContact CG-CE3 4.25Å; Q1418-W1437 HydrophobicContact CG-CG 4.12Å; Q1418-W1437 HydrophobicContact CG-CH2 4.49Å; Q1418-W1437 HydrophobicContact CG-CZ2 4.03Å; T1421-W1437 HydrophobicContact CG2-CZ2 4.13Å; T1421-W1437 WeakPolarHBondContact OG1-CH2 3.34Å; T1421-W1437 WeakPolarHBondContact OG1-CZ2 3.44Å; Y1423-W1437 PolarHBondContact OH-NE1 2.9Å; I1433-W1437 PolarHBondContact O-N 2.67Å; W1437-R1441 WeakPolarHBondContact O-CG 3.32Å; W1437-R1441 PolarHBondContact O-N 3Å; W1437-F1478 HydrophobicContact CH2-CD1 4.36Å; W1437-F1478 AromaticContact CH2-CE1 3.81Å; W1437-F1478 HydrophobicContact CH2-CE1 3.81Å; W1437-F1478 HydrophobicContact CZ2-CE1 4.1Å; W1437-I1480 HydrophobicContact CZ2-CD1 4.5Å |
| 1438 | R | 95.1 | Very high | 93 | Very high | 152 Ų | 152 | 51.9 Ų | 51.9 | 57% | 0.574 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -63.5 | -40.4 | 171.7 | -175.7 | -177.5 | 175.4 | -166.2 | -1.5 | 112 | Q1434 W1435 F1436 S1442 Y1508 | Q1434-R1438 VanDerWaalsContact O-CB 3.29Å; Q1434-R1438 WeakPolarHBondContact O-CB 3.17Å; Q1434-R1438 PolarHBondContact O-N 2.88Å; W1435-R1438 PolarHBondContact O-N 3.28Å; F1436-R1438 VanDerWaalsContact C-N 3.31Å; F1436-R1438 PolarHBondContact O-N 2.92Å; R1438-S1442 PolarHBondContact O-N 2.85Å; R1438-Y1508 HydrophobicContact CB-CE2 3.83Å; R1438-Y1508 HydrophobicContact CG-CD2 4.47Å; R1438-Y1508 HydrophobicContact CG-CE2 3.62Å |
| 1439 | A | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.1 | -48.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | W1435 F1436 R1441 S1442 F1443 Y1508 L1511 R1512 L1515 | W1435-A1439 VanDerWaalsContact O-CB 3.29Å; W1435-A1439 WeakPolarHBondContact O-CB 3.16Å; W1435-A1439 PolarHBondContact O-N 2.82Å; F1436-A1439 WeakPolarHBondContact O-CA 3.23Å; F1436-A1439 WeakPolarHBondContact O-CB 3.24Å; F1436-A1439 PolarHBondContact O-N 2.95Å; A1439-R1441 VanDerWaalsContact C-N 3.35Å; A1439-R1441 PolarHBondContact O-N 3.16Å; A1439-S1442 CarbonylContact O-C 3.55Å; A1439-S1442 WeakPolarHBondContact O-CA 3.48Å; A1439-S1442 WeakPolarHBondContact O-CB 3.38Å; A1439-S1442 PolarHBondContact O-N 2.97Å; A1439-S1442 PolarHBondContact O-OG 3.21Å; A1439-F1443 HydrophobicContact CB-CE1 4.27Å; A1439-F1443 HydrophobicContact CB-CZ 4.23Å; A1439-F1443 WeakPolarHBondContact O-CD1 3.42Å; A1439-F1443 VanDerWaalsContact O-CE1 3.3Å; A1439-F1443 WeakPolarHBondContact O-CE1 3.4Å; A1439-F1443 WeakPolarHBondContact O-CG 3.32Å; A1439-F1443 PolarHBondContact O-N 3.12Å; A1439-Y1508 HydrophobicContact CB-CE2 4.2Å; A1439-L1511 HydrophobicContact CB-CD2 4.33Å; A1439-R1512 HydrophobicContact CB-CB 4.11Å; A1439-R1512 HydrophobicContact CB-CG 4.05Å; A1439-L1515 HydrophobicContact CB-CD2 4.49Å |
| 1440 | V | 94.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.4 | -39 | 179.5 | 178.8 | 0 | 0 | 0 | 0 | 112.2 | I1414 F1436 S1442 F1443 L1451 L1515 | I1414-V1440 HydrophobicContact CD1-CG1 4.02Å; I1414-V1440 HydrophobicContact CG1-CG1 4.29Å; F1436-V1440 HydrophobicContact CD1-CG2 4.25Å; F1436-V1440 HydrophobicContact CD2-CG2 4.37Å; F1436-V1440 HydrophobicContact CE1-CG2 3.88Å; F1436-V1440 HydrophobicContact CE2-CG2 4Å; F1436-V1440 HydrophobicContact CG-CG2 4.48Å; F1436-V1440 HydrophobicContact CZ-CG2 3.74Å; F1436-V1440 WeakPolarHBondContact O-CG2 3.44Å; F1436-V1440 PolarHBondContact O-N 3.27Å; V1440-S1442 PolarHBondContact O-N 3.41Å; V1440-F1443 HydrophobicContact CG2-CE2 4.29Å; V1440-F1443 WeakPolarHBondContact O-CB 3.41Å; V1440-F1443 PolarHBondContact O-N 2.63Å; V1440-F1443 VanDerWaalsContact O-N 3.17Å; V1440-L1451 HydrophobicContact CB-CD2 4.34Å; V1440-L1451 HydrophobicContact CG1-CD2 3.77Å; V1440-L1451 HydrophobicContact CG2-CD2 3.56Å; V1440-L1515 HydrophobicContact CG2-CD2 4.49Å |
| 1441 | R | 94.2 | Very high | 92.4 | Very high | 99 Ų | 99 | 41.6 Ų | 41.6 | 37% | 0.374 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -67 | -24.6 | 172.4 | -68.1 | -178.8 | -163.8 | -104.8 | 1.4 | 113.1 | I1414 D1415 W1437 A1439 F1443 R1448 | I1414-R1441 HydrophobicContact CD1-CB 4.42Å; I1414-R1441 HydrophobicContact CD1-CG 3.8Å; I1414-R1441 HydrophobicContact CG2-CG 3.9Å; D1415-R1441 VanDerWaalsContact CG-NH1 3.31Å; D1415-R1441 IonicContact OD1-CZ 2.75Å; D1415-R1441 IonicContact OD1-NH1 2.7Å; D1415-R1441 PolarHBondContact OD1-NH1 3.12Å; D1415-R1441 VanDerWaalsContact OD1-NH1 3.07Å; D1415-R1441 IonicContact OD1-NH2 2.71Å; D1415-R1441 PolarHBondContact OD1-NH2 3.22Å; D1415-R1441 IonicContact OD2-CZ 3.32Å; D1415-R1441 IonicContact OD2-NH1 3.14Å; D1415-R1441 PolarHBondContact OD2-NH1 3.35Å; D1415-R1441 IonicContact OD2-NH2 2.67Å; W1437-R1441 WeakPolarHBondContact O-CG 3.32Å; W1437-R1441 PolarHBondContact O-N 3Å; A1439-R1441 VanDerWaalsContact C-N 3.35Å; A1439-R1441 PolarHBondContact O-N 3.16Å; R1441-F1443 VanDerWaalsContact C-N 3.32Å; R1441-R1448 PolarHBondContact O-NH2 3.08Å |
| 1442 | S | 91 | Very high | 92.2 | Very high | 49 Ų | 49 | 38.8 Ų | 38.8 | 34% | 0.343 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 1.6 | 173.5 | 83 | 0 | 0 | 0 | 0 | 114.8 | R1438 A1439 V1440 R1512 | R1438-S1442 PolarHBondContact O-N 2.85Å; A1439-S1442 CarbonylContact O-C 3.55Å; A1439-S1442 WeakPolarHBondContact O-CA 3.48Å; A1439-S1442 WeakPolarHBondContact O-CB 3.38Å; A1439-S1442 PolarHBondContact O-N 2.97Å; A1439-S1442 PolarHBondContact O-OG 3.21Å; V1440-S1442 PolarHBondContact O-N 3.41Å; S1442-R1512 PolarHBondContact OG-NE 2.94Å |
| 1443 | F | 90.8 | Very high | 91.7 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 2% | 0.022 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -90.7 | 148.8 | 175.2 | -64.5 | -8.2 | 0 | 0 | 0 | 110.5 | A1439 V1440 R1441 D1447 R1448 R1512 L1515 L1516 I1519 | A1439-F1443 HydrophobicContact CB-CE1 4.27Å; A1439-F1443 HydrophobicContact CB-CZ 4.23Å; A1439-F1443 WeakPolarHBondContact O-CD1 3.42Å; A1439-F1443 VanDerWaalsContact O-CE1 3.3Å; A1439-F1443 WeakPolarHBondContact O-CE1 3.4Å; A1439-F1443 WeakPolarHBondContact O-CG 3.32Å; A1439-F1443 PolarHBondContact O-N 3.12Å; V1440-F1443 HydrophobicContact CG2-CE2 4.29Å; V1440-F1443 WeakPolarHBondContact O-CB 3.41Å; V1440-F1443 PolarHBondContact O-N 2.63Å; V1440-F1443 VanDerWaalsContact O-N 3.17Å; R1441-F1443 VanDerWaalsContact C-N 3.32Å; F1443-D1447 HydrophobicContact CB-CB 3.73Å; F1443-D1447 HydrophobicContact CD2-CB 4.26Å; F1443-D1447 HydrophobicContact CG-CB 4.03Å; F1443-R1448 HydrophobicContact CB-CG 4.06Å; F1443-R1448 PolarHBondContact O-NE 2.9Å; F1443-R1448 PolarHBondContact O-NH2 2.87Å; F1443-R1512 HydrophobicContact CE1-CG 4.17Å; F1443-L1515 HydrophobicContact CE2-CD2 4.03Å; F1443-L1515 HydrophobicContact CE2-CG 4.26Å; F1443-L1515 HydrophobicContact CZ-CD2 3.88Å; F1443-L1515 HydrophobicContact CZ-CG 4.1Å; F1443-L1516 HydrophobicContact CD1-CD1 4.48Å; F1443-L1516 HydrophobicContact CD1-CD2 3.77Å; F1443-L1516 HydrophobicContact CD1-CG 4.23Å; F1443-L1516 HydrophobicContact CE1-CD1 3.88Å; F1443-L1516 HydrophobicContact CE1-CD2 3.45Å; F1443-L1516 VanDerWaalsContact CE1-CD2 3.45Å; F1443-L1516 HydrophobicContact CE1-CG 3.47Å; F1443-L1516 VanDerWaalsContact CE1-CG 3.47Å; F1443-L1516 HydrophobicContact CE2-CD2 4.23Å; F1443-L1516 HydrophobicContact CG-CD2 4.31Å; F1443-L1516 HydrophobicContact CZ-CD2 3.71Å; F1443-L1516 HydrophobicContact CZ-CG 3.71Å; F1443-I1519 HydrophobicContact CD2-CD1 4.48Å; F1443-I1519 HydrophobicContact CE2-CD1 3.69Å; F1443-I1519 HydrophobicContact CZ-CD1 4.37Å |
| 1444 | D | 86.1 | Confident | 91.3 | Very high | 82 Ų | 82 | 38.7 Ų | 38.7 | 44% | 0.439 | 18% | 0.176 | S | C | . | . | trans | -75.6 | 176.9 | 170.2 | 67.9 | 45.1 | 0 | 0 | 0 | 111.8 | A1446 D1447 R1448 | D1444-A1446 VanDerWaalsContact C-N 3.27Å; D1444-A1446 PolarHBondContact O-N 3.24Å; D1444-A1446 WeakPolarHBondContact OD1-CA 3.16Å; D1444-A1446 WeakPolarHBondContact OD1-CB 3.42Å; D1444-A1446 PolarHBondContact OD1-N 2.76Å; D1444-D1447 PolarHBondContact O-N 3.38Å; D1444-D1447 PolarHBondContact OD1-N 2.86Å; D1444-R1448 WeakPolarHBondContact O-CB 3.38Å; D1444-R1448 WeakPolarHBondContact O-CG 3.44Å; D1444-R1448 PolarHBondContact O-N 3.31Å | ||
| 1445 | H | 84.6 | Confident | 91 | Very high | 94 Ų | 94 | 33.6 Ų | 33.6 | 44% | 0.435 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -62.5 | -30.5 | -179.1 | -75 | -99.9 | 0 | 0 | 0 | 113.6 | A1449 | H1445-A1449 WeakPolarHBondContact O-CB 3.36Å; H1445-A1449 PolarHBondContact O-N 3.18Å |
| 1446 | A | 83.2 | Confident | 90.5 | Very high | 19 Ų | 19 | 31.2 Ų | 31.2 | 16% | 0.157 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -78.3 | -41.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1409 D1444 R1448 A1449 K1450 | L1409-A1446 HydrophobicContact CD2-CB 3.93Å; D1444-A1446 VanDerWaalsContact C-N 3.27Å; D1444-A1446 PolarHBondContact O-N 3.24Å; D1444-A1446 WeakPolarHBondContact OD1-CA 3.16Å; D1444-A1446 WeakPolarHBondContact OD1-CB 3.42Å; D1444-A1446 PolarHBondContact OD1-N 2.76Å; A1446-R1448 VanDerWaalsContact C-N 3.34Å; A1446-A1449 PolarHBondContact O-N 3.33Å; A1446-K1450 WeakPolarHBondContact O-CB 3.49Å; A1446-K1450 VanDerWaalsContact O-CG 3.3Å; A1446-K1450 WeakPolarHBondContact O-CG 3.26Å; A1446-K1450 PolarHBondContact O-N 3.37Å |
| 1447 | D | 87.8 | Confident | 89.7 | Confident | 10 Ų | 10 | 32 Ų | 32 | 5% | 0.053 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.8 | -34.9 | 172.3 | -83.7 | -20.6 | 0 | 0 | 0 | 112 | F1443 D1444 L1451 L1516 R1520 | F1443-D1447 HydrophobicContact CB-CB 3.73Å; F1443-D1447 HydrophobicContact CD2-CB 4.26Å; F1443-D1447 HydrophobicContact CG-CB 4.03Å; D1444-D1447 PolarHBondContact O-N 3.38Å; D1444-D1447 PolarHBondContact OD1-N 2.86Å; D1447-L1451 WeakPolarHBondContact O-CB 3.43Å; D1447-L1451 PolarHBondContact O-N 2.93Å; D1447-L1516 HydrophobicContact CB-CD2 4.41Å; D1447-L1516 WeakPolarHBondContact OD2-CD2 3.5Å; D1447-R1520 VanDerWaalsContact CG-NH2 3.29Å; D1447-R1520 IonicContact OD1-CZ 3.44Å; D1447-R1520 IonicContact OD1-NE 3.22Å; D1447-R1520 PolarHBondContact OD1-NE 3.24Å; D1447-R1520 IonicContact OD1-NH2 3.64Å; D1447-R1520 PolarHBondContact OD1-NH2 2.84Å; D1447-R1520 VanDerWaalsContact OD1-NH2 3.15Å; D1447-R1520 IonicContact OD2-CZ 2.57Å; D1447-R1520 IonicContact OD2-NE 3.94Å; D1447-R1520 PolarHBondContact OD2-NE 2.79Å; D1447-R1520 IonicContact OD2-NH2 2.84Å; D1447-R1520 PolarHBondContact OD2-NH2 3.4Å |
| 1448 | R | 91.8 | Very high | 89 | Confident | 53 Ų | 53 | 31.7 Ų | 31.7 | 20% | 0.2 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.4 | -43.5 | 171.4 | -70.3 | 171 | -159.5 | -164.3 | 4.9 | 112 | I1412 R1441 F1443 D1444 A1446 L1451 L1452 | I1412-R1448 HydrophobicContact CD1-CB 4.14Å; I1412-R1448 WeakPolarHBondContact CD1-O 3.24Å; R1441-R1448 PolarHBondContact O-NH2 3.08Å; F1443-R1448 HydrophobicContact CB-CG 4.06Å; F1443-R1448 PolarHBondContact O-NE 2.9Å; F1443-R1448 PolarHBondContact O-NH2 2.87Å; D1444-R1448 WeakPolarHBondContact O-CB 3.38Å; D1444-R1448 WeakPolarHBondContact O-CG 3.44Å; D1444-R1448 PolarHBondContact O-N 3.31Å; A1446-R1448 VanDerWaalsContact C-N 3.34Å; R1448-L1451 WeakPolarHBondContact O-CB 3.3Å; R1448-L1451 PolarHBondContact O-N 3.02Å; R1448-L1452 PolarHBondContact O-N 2.97Å |
| 1449 | A | 89.5 | Confident | 88.6 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.3 | -41.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1404 L1409 P1410 H1445 A1446 L1451 L1452 Q1453 | L1404-A1449 HydrophobicContact CD1-CB 4.24Å; L1404-A1449 HydrophobicContact CD2-CB 3.75Å; L1409-A1449 HydrophobicContact CD2-CB 4.28Å; P1410-A1449 HydrophobicContact CG-CB 3.74Å; H1445-A1449 WeakPolarHBondContact O-CB 3.36Å; H1445-A1449 PolarHBondContact O-N 3.18Å; A1446-A1449 PolarHBondContact O-N 3.33Å; A1449-L1451 VanDerWaalsContact C-N 3.35Å; A1449-L1451 PolarHBondContact O-N 3.15Å; A1449-L1452 PolarHBondContact O-N 3.45Å; A1449-Q1453 WeakPolarHBondContact O-CG 3.27Å; A1449-Q1453 PolarHBondContact O-N 3.16Å |
| 1450 | K | 87.4 | Confident | 88.2 | Confident | 17 Ų | 17 | 28 Ų | 28 | 7% | 0.074 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.4 | -32.2 | 174.2 | -70.1 | 177.4 | 177.6 | -171.7 | 0 | 113 | Q1400 E1401 L1404 A1446 F1454 I1519 | Q1400-K1450 HydrophobicContact CB-CG 4.5Å; E1401-K1450 IonicContact OE1-NZ 3.43Å; E1401-K1450 PolarHBondContact OE1-NZ 3.14Å; L1404-K1450 HydrophobicContact CD1-CG 4.15Å; A1446-K1450 WeakPolarHBondContact O-CB 3.49Å; A1446-K1450 VanDerWaalsContact O-CG 3.3Å; A1446-K1450 WeakPolarHBondContact O-CG 3.26Å; A1446-K1450 PolarHBondContact O-N 3.37Å; K1450-F1454 VanDerWaalsContact O-CB 3.26Å; K1450-F1454 WeakPolarHBondContact O-CB 3.3Å; K1450-F1454 PolarHBondContact O-N 3.07Å; K1450-I1519 HydrophobicContact CB-CG2 3.38Å |
| 1451 | L | 92 | Very high | 87.9 | Confident | 9 Ų | 9 | 30 Ų | 30 | 5% | 0.047 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.5 | -48.1 | 168.9 | 170.9 | 63.2 | 0 | 0 | 0 | 110.7 | F1436 V1440 D1447 R1448 A1449 F1454 V1455 L1515 I1519 | F1436-L1451 HydrophobicContact CZ-CD2 4.32Å; V1440-L1451 HydrophobicContact CB-CD2 4.34Å; V1440-L1451 HydrophobicContact CG1-CD2 3.77Å; V1440-L1451 HydrophobicContact CG2-CD2 3.56Å; D1447-L1451 WeakPolarHBondContact O-CB 3.43Å; D1447-L1451 PolarHBondContact O-N 2.93Å; R1448-L1451 WeakPolarHBondContact O-CB 3.3Å; R1448-L1451 PolarHBondContact O-N 3.02Å; A1449-L1451 VanDerWaalsContact C-N 3.35Å; A1449-L1451 PolarHBondContact O-N 3.15Å; L1451-F1454 WeakPolarHBondContact O-CB 3.36Å; L1451-F1454 PolarHBondContact O-N 3.43Å; L1451-F1454 VanDerWaalsContact O-N 3.13Å; L1451-V1455 HydrophobicContact CD1-CG2 3.91Å; L1451-V1455 WeakPolarHBondContact O-CG2 3.04Å; L1451-V1455 PolarHBondContact O-N 3.25Å; L1451-V1455 VanDerWaalsContact O-N 3.11Å; L1451-L1515 HydrophobicContact CD1-CD1 4.49Å; L1451-I1519 HydrophobicContact CB-CD1 3.9Å; L1451-I1519 HydrophobicContact CB-CG1 4.37Å; L1451-I1519 HydrophobicContact CD1-CD1 3.91Å; L1451-I1519 HydrophobicContact CD1-CG1 4.28Å; L1451-I1519 HydrophobicContact CG-CD1 4.42Å |
| 1452 | L | 91.3 | Very high | 87.6 | Confident | 9 Ų | 9 | 26.7 Ų | 26.7 | 5% | 0.047 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.1 | -51.3 | 179 | -170.2 | 63 | 0 | 0 | 0 | 110.5 | I1412 R1448 A1449 F1454 V1455 T1456 T1458 V1461 F1466 | I1412-L1452 HydrophobicContact CD1-CB 3.92Å; I1412-L1452 HydrophobicContact CD1-CD2 3.9Å; I1412-L1452 HydrophobicContact CG1-CD2 4.26Å; R1448-L1452 PolarHBondContact O-N 2.97Å; A1449-L1452 PolarHBondContact O-N 3.45Å; L1452-F1454 PolarHBondContact O-N 3.14Å; L1452-F1454 VanDerWaalsContact O-N 3.15Å; L1452-V1455 PolarHBondContact O-N 3.29Å; L1452-V1455 VanDerWaalsContact O-N 3.08Å; L1452-T1456 HydrophobicContact CD1-CG2 3.65Å; L1452-T1456 HydrophobicContact CG-CG2 4.43Å; L1452-T1456 PolarHBondContact O-N 3.11Å; L1452-T1456 PolarHBondContact O-OG1 2.94Å; L1452-T1458 CarbonylContact C-O 3.56Å; L1452-V1461 HydrophobicContact CD2-CG2 3.88Å; L1452-F1466 HydrophobicContact CD1-CE1 3.75Å; L1452-F1466 HydrophobicContact CD1-CZ 4.32Å; L1452-F1466 HydrophobicContact CD2-CE1 4.3Å; L1452-F1466 HydrophobicContact CD2-CZ 4.4Å |
| 1453 | Q | 87.1 | Confident | 87.2 | Confident | 12 Ų | 12 | 33.1 Ų | 33.1 | 6% | 0.056 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -51.1 | -39.4 | 172.6 | -70.7 | 171.8 | -45.8 | 0 | 0 | 113.2 | Q1400 E1403 A1449 G1457 T1458 | Q1400-Q1453 PolarHBondContact O-NE2 2.79Å; E1403-Q1453 WeakPolarHBondContact OE2-CG 3.5Å; E1403-Q1453 PolarHBondContact OE2-NE2 2.85Å; A1449-Q1453 WeakPolarHBondContact O-CG 3.27Å; A1449-Q1453 PolarHBondContact O-N 3.16Å; Q1453-G1457 WeakPolarHBondContact O-CA 3.4Å; Q1453-G1457 PolarHBondContact O-N 2.93Å; Q1453-G1457 VanDerWaalsContact O-N 3.08Å; Q1453-T1458 WeakPolarHBondContact CA-O 3.4Å; Q1453-T1458 PolarHBondContact N-O 2.82Å |
| 1454 | F | 88.7 | Confident | 87 | Confident | 22 Ų | 22 | 40.7 Ų | 40.7 | 10% | 0.096 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69 | -37.7 | -179.2 | 176.3 | -126.8 | 0 | 0 | 0 | 112.8 | K1450 L1451 L1452 A1493 L1500 A1518 I1519 C1522 | K1450-F1454 VanDerWaalsContact O-CB 3.26Å; K1450-F1454 WeakPolarHBondContact O-CB 3.3Å; K1450-F1454 PolarHBondContact O-N 3.07Å; L1451-F1454 WeakPolarHBondContact O-CB 3.36Å; L1451-F1454 PolarHBondContact O-N 3.43Å; L1451-F1454 VanDerWaalsContact O-N 3.13Å; L1452-F1454 PolarHBondContact O-N 3.14Å; L1452-F1454 VanDerWaalsContact O-N 3.15Å; F1454-A1493 HydrophobicContact CD1-CB 4.22Å; F1454-A1493 HydrophobicContact CD2-CB 4.02Å; F1454-A1493 HydrophobicContact CE1-CB 3.91Å; F1454-A1493 HydrophobicContact CE2-CB 3.68Å; F1454-A1493 HydrophobicContact CG-CB 4.27Å; F1454-A1493 HydrophobicContact CZ-CB 3.63Å; F1454-A1493 WeakPolarHBondContact O-CB 3.35Å; F1454-L1500 HydrophobicContact CD1-CD1 4.42Å; F1454-L1500 HydrophobicContact CE1-CD1 3.77Å; F1454-A1518 HydrophobicContact CE1-CB 4.14Å; F1454-A1518 HydrophobicContact CZ-CB 4.08Å; F1454-I1519 HydrophobicContact CD1-CG1 4.08Å; F1454-C1522 HydrophobicContact CD2-CB 4.04Å; F1454-C1522 HydrophobicContact CE2-CB 4.01Å; F1454-C1522 WeakPolarHBondContact CE2-SG 3.43Å |
| 1455 | V | 90.1 | Very high | 87.1 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.024 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -95.7 | -22.9 | -178.9 | -147.5 | 0 | 0 | 0 | 0 | 114.7 | L1451 L1452 F1478 A1493 T1495 N1498 Q1499 L1500 | L1451-V1455 HydrophobicContact CD1-CG2 3.91Å; L1451-V1455 WeakPolarHBondContact O-CG2 3.04Å; L1451-V1455 PolarHBondContact O-N 3.25Å; L1451-V1455 VanDerWaalsContact O-N 3.11Å; L1452-V1455 PolarHBondContact O-N 3.29Å; L1452-V1455 VanDerWaalsContact O-N 3.08Å; V1455-F1478 HydrophobicContact CB-CD2 4.42Å; V1455-F1478 HydrophobicContact CB-CE2 4.32Å; V1455-F1478 HydrophobicContact CG1-CD2 3.95Å; V1455-F1478 HydrophobicContact CG1-CE2 3.84Å; V1455-F1478 HydrophobicContact CG2-CE2 4.13Å; V1455-A1493 HydrophobicContact CG1-CB 4.32Å; V1455-T1495 WeakPolarHBondContact O-CA 3.16Å; V1455-N1498 WeakPolarHBondContact O-CA 3.27Å; V1455-Q1499 WeakPolarHBondContact CG1-O 3.36Å; V1455-L1500 HydrophobicContact CG1-CB 3.92Å; V1455-L1500 HydrophobicContact CG2-CB 4.45Å |
| 1456 | T | 85.4 | Confident | 87.5 | Confident | 7 Ų | 7 | 33.3 Ų | 33.3 | 4% | 0.043 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -119.6 | -3 | -174.6 | 72.2 | 0 | 0 | 0 | 0 | 114.2 | L1452 T1458 L1469 N1498 | L1452-T1456 HydrophobicContact CD1-CG2 3.65Å; L1452-T1456 HydrophobicContact CG-CG2 4.43Å; L1452-T1456 PolarHBondContact O-N 3.11Å; L1452-T1456 PolarHBondContact O-OG1 2.94Å; T1456-T1458 VanDerWaalsContact C-N 3.27Å; T1456-T1458 PolarHBondContact O-N 2.88Å; T1456-T1458 PolarHBondContact OG1-O 2.78Å; T1456-L1469 HydrophobicContact CG2-CD1 4.29Å; T1456-L1469 HydrophobicContact CG2-CD2 4.07Å; T1456-N1498 WeakPolarHBondContact CA-OD1 3.38Å; T1456-N1498 VanDerWaalsContact CB-OD1 3.3Å; T1456-N1498 WeakPolarHBondContact CB-OD1 3.43Å; T1456-N1498 VanDerWaalsContact CG2-OD1 3.27Å; T1456-N1498 WeakPolarHBondContact CG2-OD1 3.34Å |
| 1457 | G | 80.2 | Confident | 87.9 | Confident | 17 Ų | 17 | 34.5 Ų | 34.5 | 18% | 0.175 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 82.1 | -7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q1453 | Q1453-G1457 WeakPolarHBondContact O-CA 3.4Å; Q1453-G1457 PolarHBondContact O-N 2.93Å; Q1453-G1457 VanDerWaalsContact O-N 3.08Å |
| 1458 | T | 83.5 | Confident | 88 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -149.8 | 159.7 | -179 | 178.7 | 0 | 0 | 0 | 0 | 112.6 | V1244 T1245 Y1282 E1403 L1452 Q1453 T1456 R1460 | V1244-T1458 HydrophobicContact CG2-CG2 3.57Å; T1245-T1458 HydrophobicContact CG2-CG2 4.44Å; Y1282-T1458 VanDerWaalsContact CD1-OG1 3.28Å; Y1282-T1458 WeakPolarHBondContact CD1-OG1 3.4Å; E1403-T1458 VanDerWaalsContact OE1-CA 3.24Å; E1403-T1458 WeakPolarHBondContact OE1-CA 3.33Å; E1403-T1458 WeakPolarHBondContact OE1-CB 3.34Å; E1403-T1458 PolarHBondContact OE1-OG1 3.49Å; L1452-T1458 CarbonylContact C-O 3.56Å; Q1453-T1458 WeakPolarHBondContact CA-O 3.4Å; Q1453-T1458 PolarHBondContact N-O 2.82Å; T1456-T1458 VanDerWaalsContact C-N 3.27Å; T1456-T1458 PolarHBondContact O-N 2.88Å; T1456-T1458 PolarHBondContact OG1-O 2.78Å; T1458-R1460 VanDerWaalsContact C-N 3.3Å; T1458-R1460 HydrophobicContact CG2-CB 3.95Å; T1458-R1460 PolarHBondContact OG1-N 3.37Å; T1458-R1460 VanDerWaalsContact OG1-N 3.12Å |
| 1459 | S | 86.5 | Confident | 87.9 | Confident | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -81.4 | -0.6 | 168 | 56.5 | 0 | 0 | 0 | 0 | 114.3 | E1403 P1410 V1461 | E1403-S1459 PolarHBondContact OE1-N 3.31Å; E1403-S1459 PolarHBondContact OE1-OG 3.02Å; P1410-S1459 WeakPolarHBondContact CG-O 3.29Å; S1459-V1461 PolarHBondContact O-N 2.9Å |
| 1460 | R | 86.7 | Confident | 87.7 | Confident | 70 Ų | 70 | 37.1 Ų | 37.1 | 26% | 0.264 | 20% | 0.201 | S | C | . | . | P | Polyproline II helix | trans | -68.6 | 121.5 | -178.4 | -162.3 | 179.9 | -154.9 | -175.8 | 4.6 | 112.3 | D1280 Y1282 T1458 | D1280-R1460 IonicContact OD1-NE 3.38Å; D1280-R1460 IonicContact OD1-NH2 2.82Å; D1280-R1460 IonicContact OD2-CZ 2.95Å; D1280-R1460 IonicContact OD2-NH2 2.81Å; D1280-R1460 PolarHBondContact OD2-NH2 3.29Å; Y1282-R1460 HydrophobicContact CD1-CB 4.03Å; Y1282-R1460 HydrophobicContact CD2-CB 4.1Å; Y1282-R1460 HydrophobicContact CD2-CG 4.06Å; Y1282-R1460 HydrophobicContact CE1-CB 3.78Å; Y1282-R1460 HydrophobicContact CE1-CG 4.21Å; Y1282-R1460 HydrophobicContact CE2-CB 3.9Å; Y1282-R1460 HydrophobicContact CE2-CG 3.54Å; Y1282-R1460 VanDerWaalsContact CE2-NE 3.27Å; Y1282-R1460 HydrophobicContact CG-CB 4.17Å; T1458-R1460 VanDerWaalsContact C-N 3.3Å; T1458-R1460 HydrophobicContact CG2-CB 3.95Å; T1458-R1460 PolarHBondContact OG1-N 3.37Å; T1458-R1460 VanDerWaalsContact OG1-N 3.12Å |
| 1461 | V | 88.6 | Confident | 87.5 | Confident | 45 Ų | 45 | 36.3 Ų | 36.3 | 27% | 0.273 | 20% | 0.197 | S | C | . | . | P | Polyproline II helix | trans | -85.3 | 133 | 168.1 | -178.1 | 0 | 0 | 0 | 0 | 108.9 | P1410 I1412 L1452 S1459 F1466 | P1410-V1461 HydrophobicContact CB-CG2 4.02Å; I1412-V1461 HydrophobicContact CG1-CG2 3.91Å; L1452-V1461 HydrophobicContact CD2-CG2 3.88Å; S1459-V1461 PolarHBondContact O-N 2.9Å; V1461-F1466 HydrophobicContact CB-CZ 4.49Å; V1461-F1466 HydrophobicContact CG1-CE1 4.26Å; V1461-F1466 HydrophobicContact CG1-CE2 4.2Å; V1461-F1466 HydrophobicContact CG1-CZ 3.86Å; V1461-F1466 HydrophobicContact CG2-CZ 4.06Å |
| 1462 | P | 86.5 | Confident | 86.8 | Confident | 30 Ų | 30 | 37.5 Ų | 37.5 | 20% | 0.195 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -64.6 | 139 | 175.5 | -20.6 | 32.4 | 0 | 0 | 0 | 112.6 | Q1464 G1465 S1468 L1469 | P1462-Q1464 PolarHBondContact O-N 2.94Å; P1462-Q1464 VanDerWaalsContact O-N 3.15Å; P1462-G1465 PolarHBondContact O-N 2.74Å; P1462-S1468 WeakPolarHBondContact CB-OG 3.13Å; P1462-L1469 HydrophobicContact CG-CB 4.37Å; P1462-L1469 HydrophobicContact CG-CD1 3.75Å |
| 1463 | L | 83.6 | Confident | 86.3 | Confident | 184 Ų | 184 | 44.3 Ų | 44.3 | 96% | 0.963 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -23.5 | 179.8 | -70.2 | 169.6 | 0 | 0 | 0 | 114 | ||
| 1464 | Q | 85.4 | Confident | 86.2 | Confident | 165 Ų | 165 | 44.6 Ų | 44.6 | 77% | 0.771 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 18.9 | 176.6 | -64.9 | 174.2 | -20.7 | 0 | 0 | 112.4 | P1462 S1468 | P1462-Q1464 PolarHBondContact O-N 2.94Å; P1462-Q1464 VanDerWaalsContact O-N 3.15Å; Q1464-S1468 WeakPolarHBondContact CB-OG 3.21Å |
| 1465 | G | 88.5 | Confident | 86.1 | Confident | 17 Ų | 17 | 48.5 Ų | 48.5 | 18% | 0.175 | 27% | 0.266 | C | S | . | . | trans | 73.1 | 174.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D1416 P1462 A1467 S1468 | D1416-G1465 VanDerWaalsContact OD2-CA 3.32Å; D1416-G1465 WeakPolarHBondContact OD2-CA 3.43Å; P1462-G1465 PolarHBondContact O-N 2.74Å; G1465-A1467 PolarHBondContact O-N 3.4Å; G1465-A1467 VanDerWaalsContact O-N 3.1Å; G1465-S1468 PolarHBondContact O-N 2.83Å; G1465-S1468 PolarHBondContact O-OG 3.03Å | ||
| 1466 | F | 93 | Very high | 86 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 1% | 0.013 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -66.4 | -12.3 | -174.9 | -67.7 | -68 | 0 | 0 | 0 | 114.1 | I1412 D1416 L1417 N1420 L1452 V1461 S1468 L1469 | I1412-F1466 HydrophobicContact CG2-CE2 4.16Å; I1412-F1466 HydrophobicContact CG2-CZ 4.07Å; D1416-F1466 HydrophobicContact CB-CD2 4.28Å; D1416-F1466 VanDerWaalsContact OD2-CD2 3.26Å; D1416-F1466 WeakPolarHBondContact OD2-CD2 3.41Å; D1416-F1466 PolarHBondContact OD2-N 2.78Å; L1417-F1466 HydrophobicContact CB-CD2 3.63Å; L1417-F1466 HydrophobicContact CB-CE2 3.89Å; L1417-F1466 HydrophobicContact CB-CG 4.17Å; L1417-F1466 HydrophobicContact CD1-CB 4.07Å; L1417-F1466 HydrophobicContact CD1-CD1 3.61Å; L1417-F1466 HydrophobicContact CD1-CD2 3.88Å; L1417-F1466 HydrophobicContact CD1-CE1 3.97Å; L1417-F1466 HydrophobicContact CD1-CE2 4.2Å; L1417-F1466 HydrophobicContact CD1-CG 3.57Å; L1417-F1466 HydrophobicContact CD1-CZ 4.24Å; L1417-F1466 HydrophobicContact CG-CD2 4.33Å; L1417-F1466 HydrophobicContact CG-CG 4.47Å; N1420-F1466 HydrophobicContact CB-CB 4.18Å; L1452-F1466 HydrophobicContact CD1-CE1 3.75Å; L1452-F1466 HydrophobicContact CD1-CZ 4.32Å; L1452-F1466 HydrophobicContact CD2-CE1 4.3Å; L1452-F1466 HydrophobicContact CD2-CZ 4.4Å; V1461-F1466 HydrophobicContact CB-CZ 4.49Å; V1461-F1466 HydrophobicContact CG1-CE1 4.26Å; V1461-F1466 HydrophobicContact CG1-CE2 4.2Å; V1461-F1466 HydrophobicContact CG1-CZ 3.86Å; V1461-F1466 HydrophobicContact CG2-CZ 4.06Å; F1466-S1468 PolarHBondContact O-N 2.83Å; F1466-L1469 HydrophobicContact CD1-CD1 4.43Å; F1466-L1469 WeakPolarHBondContact O-CB 3.41Å; F1466-L1469 PolarHBondContact O-N 3.29Å |
| 1467 | A | 91.8 | Very high | 86.4 | Confident | 44 Ų | 44 | 54.9 Ų | 54.9 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -57.4 | -29.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N1420 G1465 | N1420-A1467 VanDerWaalsContact CG-CA 3.5Å; N1420-A1467 PolarHBondContact ND2-N 2.87Å; N1420-A1467 WeakPolarHBondContact OD1-CA 3.44Å; N1420-A1467 WeakPolarHBondContact OD1-CB 3.36Å; G1465-A1467 PolarHBondContact O-N 3.4Å; G1465-A1467 VanDerWaalsContact O-N 3.1Å |
| 1468 | S | 90.6 | Very high | 87.1 | Confident | 19 Ų | 19 | 54.4 Ų | 54.4 | 13% | 0.133 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -99.8 | 4.6 | -175.5 | 69.9 | 0 | 0 | 0 | 0 | 114.6 | P1462 Q1464 G1465 F1466 Q1470 | P1462-S1468 WeakPolarHBondContact CB-OG 3.13Å; Q1464-S1468 WeakPolarHBondContact CB-OG 3.21Å; G1465-S1468 PolarHBondContact O-N 2.83Å; G1465-S1468 PolarHBondContact O-OG 3.03Å; F1466-S1468 PolarHBondContact O-N 2.83Å; S1468-Q1470 PolarHBondContact O-N 3.03Å |
| 1469 | L | 89 | Confident | 87.7 | Confident | 9 Ų | 9 | 54.9 Ų | 54.9 | 5% | 0.047 | 29% | 0.286 | C | S | . | . | trans | -54.3 | 134.4 | -174.9 | -170.4 | 68.6 | 0 | 0 | 0 | 111.5 | T1456 P1462 F1466 V1475 Q1476 F1478 N1498 | T1456-L1469 HydrophobicContact CG2-CD1 4.29Å; T1456-L1469 HydrophobicContact CG2-CD2 4.07Å; P1462-L1469 HydrophobicContact CG-CB 4.37Å; P1462-L1469 HydrophobicContact CG-CD1 3.75Å; F1466-L1469 HydrophobicContact CD1-CD1 4.43Å; F1466-L1469 WeakPolarHBondContact O-CB 3.41Å; F1466-L1469 PolarHBondContact O-N 3.29Å; L1469-V1475 CarbonylContact O-C 3.59Å; L1469-V1475 WeakPolarHBondContact O-CA 3.38Å; L1469-Q1476 CarbonylContact O-C 3.5Å; L1469-Q1476 PolarHBondContact O-N 2.95Å; L1469-F1478 HydrophobicContact CD2-CB 4.15Å; L1469-N1498 HydrophobicContact CD2-CB 3.85Å | ||
| 1470 | Q | 85.2 | Confident | 88.2 | Confident | 90 Ų | 90 | 54.7 Ų | 54.7 | 42% | 0.421 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 155.3 | -174.8 | -60.9 | -170.6 | 16.3 | 0 | 0 | 112.5 | S1468 G1474 N1498 | S1468-Q1470 PolarHBondContact O-N 3.03Å; Q1470-G1474 CarbonylContact C-O 3.49Å; Q1470-G1474 WeakPolarHBondContact CA-O 3.42Å; Q1470-N1498 PolarHBondContact O-ND2 3.43Å |
| 1471 | G | 83 | Confident | 88.7 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | -163.7 | 169 | 0 | 0 | 0 | 0 | 0 | 110.9 | R1243 H1473 G1474 | R1243-G1471 WeakPolarHBondContact CD-O 3.28Å; R1243-G1471 PolarHBondContact NE-O 3.36Å; G1471-H1473 PolarHBondContact O-N 3.06Å; G1471-G1474 PolarHBondContact N-O 3.46Å; G1471-G1474 PolarHBondContact O-N 3.27Å |
| 1472 | M | 78.1 | Confident | 89 | Confident | 35 Ų | 35 | 56.2 Ų | 56.2 | 17% | 0.172 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -31.1 | -167.9 | -179.7 | 171.3 | 55.7 | 0 | 0 | 114.5 | G1241 R1243 P1306 C1496 F1497 | G1241-M1472 VanDerWaalsContact O-CA 3.23Å; G1241-M1472 WeakPolarHBondContact O-CA 3.46Å; G1241-M1472 WeakPolarHBondContact O-CB 3.22Å; G1241-M1472 PolarHBondContact O-N 3.48Å; R1243-M1472 PolarHBondContact NE-O 3.2Å; R1243-M1472 PolarHBondContact NH2-O 2.99Å; P1306-M1472 HydrophobicContact CB-SD 3.67Å; P1306-M1472 HydrophobicContact CG-SD 3.74Å; M1472-C1496 HydrophobicContact CB-CB 4.11Å; M1472-C1496 PolarHBondContact N-O 2.81Å; M1472-F1497 HydrophobicContact CE-CE1 3.51Å; M1472-F1497 HydrophobicContact CE-CE2 4.36Å; M1472-F1497 HydrophobicContact CE-CZ 3.41Å; M1472-F1497 VanDerWaalsContact CE-CZ 3.41Å |
| 1473 | H | 80.6 | Confident | 89.3 | Confident | 152 Ų | 152 | 55.1 Ų | 55.1 | 70% | 0.704 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | 5.1 | -177.3 | -63.1 | -37.7 | 0 | 0 | 0 | 115.1 | G1471 | G1471-H1473 PolarHBondContact O-N 3.06Š|
| 1474 | G | 84.3 | Confident | 89.5 | Confident | 17 Ų | 17 | 50.5 Ų | 50.5 | 18% | 0.175 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 120 | -141.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q1470 G1471 Q1476 | Q1470-G1474 CarbonylContact C-O 3.49Å; Q1470-G1474 WeakPolarHBondContact CA-O 3.42Å; G1471-G1474 PolarHBondContact N-O 3.46Å; G1471-G1474 PolarHBondContact O-N 3.27Å; G1474-Q1476 PolarHBondContact O-N 2.81Å |
| 1475 | V | 87.8 | Confident | 89.5 | Confident | 104 Ų | 104 | 48.9 Ų | 48.9 | 63% | 0.63 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 118.6 | 174.7 | -179.7 | 0 | 0 | 0 | 0 | 109.2 | L1469 | L1469-V1475 CarbonylContact O-C 3.59Å; L1469-V1475 WeakPolarHBondContact O-CA 3.38Å |
| 1476 | Q | 88 | Confident | 89.3 | Confident | 49 Ų | 49 | 50.5 Ų | 50.5 | 23% | 0.229 | 25% | 0.252 | C | S | . | . | trans | -140.7 | 106.4 | -177.6 | 174.8 | 55.8 | 71.9 | 0 | 0 | 108.1 | L1469 G1474 F1497 N1498 | L1469-Q1476 CarbonylContact O-C 3.5Å; L1469-Q1476 PolarHBondContact O-N 2.95Å; G1474-Q1476 PolarHBondContact O-N 2.81Å; Q1476-F1497 VanDerWaalsContact CG-O 3.28Å; Q1476-F1497 WeakPolarHBondContact CG-O 3.49Å; Q1476-N1498 PolarHBondContact O-ND2 2.76Å | ||
| 1477 | R | 92.7 | Very high | 89 | Confident | 96 Ų | 96 | 52.2 Ų | 52.2 | 36% | 0.362 | 26% | 0.263 | S | S | . | . | trans | -63 | 156.8 | 178.3 | -79.2 | 172.7 | 179.9 | 143.4 | 0.5 | 112.5 | N1420 E1422 Q1479 | N1420-R1477 WeakPolarHBondContact O-CB 3.48Å; N1420-R1477 WeakPolarHBondContact O-CD 3.28Å; N1420-R1477 WeakPolarHBondContact O-CG 3.25Å; E1422-R1477 HydrophobicContact CG-CB 4.16Å; E1422-R1477 VanDerWaalsContact OE1-CD 3.28Å; E1422-R1477 WeakPolarHBondContact OE1-CD 3.37Å; E1422-R1477 IonicContact OE1-CZ 3.82Å; E1422-R1477 IonicContact OE1-NE 3.98Å; E1422-R1477 IonicContact OE1-NH1 3.77Å; E1422-R1477 PolarHBondContact OE1-NH1 3.45Å; R1477-Q1479 PolarHBondContact O-N 2.85Å | ||
| 1478 | F | 95.3 | Very high | 88.7 | Confident | 7 Ų | 7 | 55.5 Ų | 55.5 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | trans | -58.4 | 127.7 | 167.7 | 169.2 | -129.8 | 0 | 0 | 0 | 110 | L1417 T1421 E1422 F1436 W1437 V1455 L1469 I1480 N1498 L1500 | L1417-F1478 HydrophobicContact CD1-CB 4.1Å; L1417-F1478 HydrophobicContact CD1-CD1 3.79Å; L1417-F1478 HydrophobicContact CD1-CG 4.22Å; L1417-F1478 HydrophobicContact CD2-CD1 4.45Å; L1417-F1478 HydrophobicContact CG-CD1 4Å; L1417-F1478 HydrophobicContact CG-CE1 4.49Å; T1421-F1478 CarbonylContact C-O 3.07Å; T1421-F1478 WeakPolarHBondContact CA-O 3.23Å; T1421-F1478 HydrophobicContact CG2-CD1 3.76Å; T1421-F1478 HydrophobicContact CG2-CE1 3.85Å; T1421-F1478 HydrophobicContact CG2-CG 4.49Å; T1421-F1478 VanDerWaalsContact OG1-CD1 3.26Å; T1421-F1478 WeakPolarHBondContact OG1-CD1 3.43Å; E1422-F1478 PolarHBondContact N-O 3.43Å; F1436-F1478 HydrophobicContact CE1-CE1 4.14Å; F1436-F1478 HydrophobicContact CE1-CZ 4.09Å; F1436-F1478 HydrophobicContact CZ-CE1 4.27Å; F1436-F1478 AromaticContact CZ-CZ 3.82Å; F1436-F1478 HydrophobicContact CZ-CZ 3.82Å; W1437-F1478 HydrophobicContact CH2-CD1 4.36Å; W1437-F1478 AromaticContact CH2-CE1 3.81Å; W1437-F1478 HydrophobicContact CH2-CE1 3.81Å; W1437-F1478 HydrophobicContact CZ2-CE1 4.1Å; V1455-F1478 HydrophobicContact CB-CD2 4.42Å; V1455-F1478 HydrophobicContact CB-CE2 4.32Å; V1455-F1478 HydrophobicContact CG1-CD2 3.95Å; V1455-F1478 HydrophobicContact CG1-CE2 3.84Å; V1455-F1478 HydrophobicContact CG2-CE2 4.13Å; L1469-F1478 HydrophobicContact CD2-CB 4.15Å; F1478-I1480 HydrophobicContact CE1-CD1 3.92Å; F1478-I1480 HydrophobicContact CE1-CG1 3.99Å; F1478-I1480 HydrophobicContact CE2-CG1 3.98Å; F1478-I1480 HydrophobicContact CZ-CD1 3.66Å; F1478-I1480 HydrophobicContact CZ-CG1 3.48Å; F1478-I1480 VanDerWaalsContact CZ-CG1 3.48Å; F1478-N1498 WeakPolarHBondContact CA-O 3.49Å; F1478-N1498 WeakPolarHBondContact CD2-O 3.23Å; F1478-L1500 HydrophobicContact CE2-CB 3.94Å; F1478-L1500 HydrophobicContact CZ-CD2 4.43Å | ||
| 1479 | Q | 95.9 | Very high | 88.5 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 133.3 | -174.4 | 58.2 | 179.4 | -43.2 | 0 | 0 | 112.1 | E1422 H1424 R1477 H1481 F1497 N1498 Q1499 L1500 | E1422-Q1479 HydrophobicContact CB-CB 4.29Å; E1422-Q1479 CarbonylContact O-C 3.45Å; E1422-Q1479 VanDerWaalsContact O-CA 3.31Å; E1422-Q1479 WeakPolarHBondContact O-CA 3.31Å; H1424-Q1479 PolarHBondContact NE2-OE1 3.04Å; R1477-Q1479 PolarHBondContact O-N 2.85Å; Q1479-H1481 VanDerWaalsContact CG-NE2 3.29Å; Q1479-H1481 WeakPolarHBondContact CG-NE2 3.41Å; Q1479-H1481 CovalentContact OE1-NE2 1.8Å; Q1479-H1481 PolarHBondContact OE1-NE2 3.32Å; Q1479-F1497 PolarHBondContact NE2-O 2.89Å; Q1479-N1498 PolarHBondContact N-O 2.76Å; Q1479-Q1499 HydrophobicContact CG-CB 3.72Å; Q1479-Q1499 HydrophobicContact CG-CG 4.18Å; Q1479-Q1499 WeakPolarHBondContact O-CA 3.26Å; Q1479-L1500 PolarHBondContact O-N 2.95Å |
| 1480 | I | 97.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 117.6 | 178.5 | -53.9 | 179.5 | 0 | 0 | 0 | 109.9 | T1421 E1422 Y1423 H1424 Y1426 I1433 F1436 W1437 F1478 L1500 L1502 | T1421-I1480 HydrophobicContact CG2-CD1 4.04Å; T1421-I1480 HydrophobicContact CG2-CG1 3.94Å; E1422-I1480 PolarHBondContact O-N 3.49Å; Y1423-I1480 HydrophobicContact CD1-CB 4.29Å; Y1423-I1480 HydrophobicContact CE1-CD1 4.12Å; H1424-I1480 PolarHBondContact N-O 3.45Å; Y1426-I1480 HydrophobicContact CD2-CG2 4.33Å; I1433-I1480 HydrophobicContact CD1-CB 4.25Å; I1433-I1480 HydrophobicContact CD1-CD1 4.18Å; I1433-I1480 HydrophobicContact CD1-CG2 3.75Å; F1436-I1480 HydrophobicContact CD1-CD1 3.74Å; F1436-I1480 HydrophobicContact CE1-CD1 3.66Å; F1436-I1480 HydrophobicContact CG-CD1 4.27Å; F1436-I1480 HydrophobicContact CZ-CD1 4.12Å; W1437-I1480 HydrophobicContact CZ2-CD1 4.5Å; F1478-I1480 HydrophobicContact CE1-CD1 3.92Å; F1478-I1480 HydrophobicContact CE1-CG1 3.99Å; F1478-I1480 HydrophobicContact CE2-CG1 3.98Å; F1478-I1480 HydrophobicContact CZ-CD1 3.66Å; F1478-I1480 HydrophobicContact CZ-CG1 3.48Å; F1478-I1480 VanDerWaalsContact CZ-CG1 3.48Å; I1480-L1500 WeakPolarHBondContact CA-O 3.43Å; I1480-L1502 HydrophobicContact CG2-CB 3.88Å; I1480-L1502 HydrophobicContact CG2-CD2 4.08Å |
| 1481 | H | 96.9 | Very high | 88.9 | Confident | 52 Ų | 52 | 57.5 Ų | 57.5 | 24% | 0.241 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 148.7 | 178.6 | -76.5 | -119.3 | 0 | 0 | 0 | 110.7 | H1424 Q1479 Q1499 L1500 L1502 | H1424-H1481 HydrophobicContact CB-CB 4.47Å; H1424-H1481 AromaticContact CD2-CD2 3.81Å; H1424-H1481 AromaticContact CD2-NE2 3.27Å; H1424-H1481 PolarHBondContact CD2-NE2 2.96Å; H1424-H1481 VanDerWaalsContact CD2-NE2 3.27Å; H1424-H1481 AromaticContact CE1-NE2 3.88Å; H1424-H1481 AromaticContact CG-CD2 3.88Å; H1424-H1481 AromaticContact CG-CE1 3.74Å; H1424-H1481 AromaticContact CG-ND1 4Å; H1424-H1481 AromaticContact CG-NE2 3.54Å; H1424-H1481 AromaticContact ND1-CE1 3.68Å; H1424-H1481 AromaticContact ND1-NE2 3.89Å; H1424-H1481 AromaticContact NE2-NE2 3.56Å; Q1479-H1481 VanDerWaalsContact CG-NE2 3.29Å; Q1479-H1481 WeakPolarHBondContact CG-NE2 3.41Å; Q1479-H1481 CovalentContact OE1-NE2 1.8Å; Q1479-H1481 PolarHBondContact OE1-NE2 3.32Å; H1481-Q1499 VanDerWaalsContact CD2-CD 3.46Å; H1481-Q1499 PolarHBondContact NE2-OE1 3.13Å; H1481-L1500 PolarHBondContact N-O 3.25Å; H1481-L1502 PolarHBondContact O-N 3.05Å |
| 1482 | R | 95.5 | Very high | 89.2 | Confident | 95 Ų | 95 | 59.4 Ų | 59.4 | 36% | 0.358 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 117.9 | 170.9 | -173.4 | 174.5 | 134.6 | 153.5 | 3 | 111.7 | H1424 K1425 Y1426 D1484 | H1424-R1482 PolarHBondContact O-N 3.41Å; H1424-R1482 VanDerWaalsContact O-N 3.16Å; K1425-R1482 HydrophobicContact CB-CB 3.77Å; K1425-R1482 HydrophobicContact CD-CB 3.87Å; K1425-R1482 WeakPolarHBondContact CD-O 3.49Å; K1425-R1482 PolarHBondContact NZ-O 3.03Å; Y1426-R1482 HydrophobicContact CD2-CB 3.7Å; Y1426-R1482 HydrophobicContact CD2-CG 4.39Å; Y1426-R1482 HydrophobicContact CE1-CB 4.39Å; Y1426-R1482 HydrophobicContact CE1-CG 4.14Å; Y1426-R1482 HydrophobicContact CE2-CB 3.47Å; Y1426-R1482 VanDerWaalsContact CE2-CB 3.47Å; Y1426-R1482 HydrophobicContact CE2-CG 3.76Å; Y1426-R1482 HydrophobicContact CG-CB 4.26Å; R1482-D1484 IonicContact CZ-OD1 2.85Å; R1482-D1484 IonicContact NE-OD1 3.18Å; R1482-D1484 PolarHBondContact NE-OD1 2.82Å; R1482-D1484 IonicContact NH2-OD1 2.73Å; R1482-D1484 PolarHBondContact NH2-OD1 3.33Å; R1482-D1484 PolarHBondContact O-N 2.93Å |
| 1483 | D | 91.7 | Very high | 89.6 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | trans | -82.7 | 104.7 | 170.5 | -176.6 | 4.1 | 0 | 0 | 0 | 110.9 | R1485 R1489 D1501 L1502 P1503 P1504 | D1483-R1485 VanDerWaalsContact C-N 3.29Å; D1483-R1485 PolarHBondContact O-N 3.25Å; D1483-R1485 WeakPolarHBondContact OD1-CB 3.09Å; D1483-R1485 WeakPolarHBondContact OD1-CD 2.99Å; D1483-R1485 WeakPolarHBondContact OD1-CG 3.1Å; D1483-R1485 IonicContact OD1-CZ 3.86Å; D1483-R1485 PolarHBondContact OD1-N 3.14Å; D1483-R1485 IonicContact OD1-NE 3.19Å; D1483-R1485 PolarHBondContact OD1-NE 3.24Å; D1483-R1485 IonicContact OD1-NH2 3.09Å; D1483-R1485 IonicContact OD2-CZ 3.48Å; D1483-R1485 VanDerWaalsContact OD2-CZ 3.26Å; D1483-R1485 IonicContact OD2-NE 2.8Å; D1483-R1485 PolarHBondContact OD2-NE 3.21Å; D1483-R1485 IonicContact OD2-NH2 3.4Å; D1483-R1485 PolarHBondContact OD2-NH2 2.8Å; D1483-R1489 IonicContact OD2-NE 3.79Å; D1483-R1489 PolarHBondContact OD2-NE 3.01Å; D1483-D1501 HydrophobicContact CB-CB 4.32Å; D1483-L1502 PolarHBondContact N-O 3.31Å; D1483-P1503 HydrophobicContact CB-CG 4.13Å; D1483-P1504 WeakPolarHBondContact O-CD 3.33Å | ||
| 1484 | D | 89.3 | Confident | 89.8 | Confident | 87 Ų | 87 | 53.6 Ų | 53.6 | 47% | 0.465 | 27% | 0.266 | S | S | . | . | trans | -82.4 | 3 | 177.5 | -66.3 | -66.8 | 0 | 0 | 0 | 114 | K1425 R1482 | K1425-D1484 IonicContact NZ-OD2 3.45Å; K1425-D1484 PolarHBondContact NZ-OD2 3.31Å; R1482-D1484 IonicContact CZ-OD1 2.85Å; R1482-D1484 IonicContact NE-OD1 3.18Å; R1482-D1484 PolarHBondContact NE-OD1 2.82Å; R1482-D1484 IonicContact NH2-OD1 2.73Å; R1482-D1484 PolarHBondContact NH2-OD1 3.33Å; R1482-D1484 PolarHBondContact O-N 2.93Å | ||
| 1485 | R | 85.1 | Confident | 89.8 | Confident | 130 Ų | 130 | 53.9 Ų | 53.9 | 49% | 0.491 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -70.1 | -56.7 | -173.1 | -65.3 | 172 | -66.5 | -147.2 | -7 | 113.1 | D1483 T1492 D1501 | D1483-R1485 VanDerWaalsContact C-N 3.29Å; D1483-R1485 PolarHBondContact O-N 3.25Å; D1483-R1485 WeakPolarHBondContact OD1-CB 3.09Å; D1483-R1485 WeakPolarHBondContact OD1-CD 2.99Å; D1483-R1485 WeakPolarHBondContact OD1-CG 3.1Å; D1483-R1485 IonicContact OD1-CZ 3.86Å; D1483-R1485 PolarHBondContact OD1-N 3.14Å; D1483-R1485 IonicContact OD1-NE 3.19Å; D1483-R1485 PolarHBondContact OD1-NE 3.24Å; D1483-R1485 IonicContact OD1-NH2 3.09Å; D1483-R1485 IonicContact OD2-CZ 3.48Å; D1483-R1485 VanDerWaalsContact OD2-CZ 3.26Å; D1483-R1485 IonicContact OD2-NE 2.8Å; D1483-R1485 PolarHBondContact OD2-NE 3.21Å; D1483-R1485 IonicContact OD2-NH2 3.4Å; D1483-R1485 PolarHBondContact OD2-NH2 2.8Å; R1485-T1492 PolarHBondContact NH2-OG1 3.15Å; R1485-D1501 IonicContact CZ-OD2 3.79Å; R1485-D1501 IonicContact NH1-OD2 2.8Å; R1485-D1501 IonicContact NH2-OD2 2.73Å; R1485-D1501 PolarHBondContact NH2-OD2 2.81Å |
| 1486 | S | 84.2 | Confident | 89.4 | Confident | 51 Ų | 51 | 49 Ų | 49 | 36% | 0.357 | 24% | 0.235 | S | C | . | . | trans | -167.1 | 141.6 | 174.7 | 173.1 | 0 | 0 | 0 | 0 | 111.8 | D1488 R1489 | S1486-D1488 PolarHBondContact O-N 2.97Å; S1486-D1488 PolarHBondContact OG-N 2.73Å; S1486-R1489 PolarHBondContact O-N 3.4Å | ||
| 1487 | V | 86.3 | Confident | 89.2 | Confident | 40 Ų | 40 | 49.7 Ų | 49.7 | 24% | 0.242 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -5.4 | 175.4 | -64.8 | 0 | 0 | 0 | 0 | 114.4 | P1504 Y1505 K1510 | V1487-P1504 HydrophobicContact CG1-CG 4Å; V1487-P1504 WeakPolarHBondContact CG1-O 3.42Å; V1487-Y1505 WeakPolarHBondContact O-CD1 3.29Å; V1487-Y1505 WeakPolarHBondContact O-CE1 3.45Å; V1487-K1510 VanDerWaalsContact O-CE 3.25Å; V1487-K1510 WeakPolarHBondContact O-CE 3.21Å; V1487-K1510 PolarHBondContact O-NZ 2.89Å |
| 1488 | D | 86 | Confident | 89.1 | Confident | 113 Ų | 113 | 45.2 Ų | 45.2 | 60% | 0.604 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -1 | 177.1 | -56.4 | -34.6 | 0 | 0 | 0 | 112.3 | S1486 K1510 M1514 | S1486-D1488 PolarHBondContact O-N 2.97Å; S1486-D1488 PolarHBondContact OG-N 2.73Å; D1488-K1510 IonicContact OD1-NZ 3.61Å; D1488-K1510 PolarHBondContact OD1-NZ 2.8Å; D1488-M1514 WeakPolarHBondContact O-CE 3.44Å |
| 1489 | R | 86.3 | Confident | 88.9 | Confident | 100 Ų | 100 | 46.3 Ų | 46.3 | 38% | 0.377 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -73.3 | 150.8 | 166.3 | -68 | 178.2 | 65.4 | 117.2 | -0.1 | 110.2 | D1483 S1486 P1503 Y1505 M1514 | D1483-R1489 IonicContact OD2-NE 3.79Å; D1483-R1489 PolarHBondContact OD2-NE 3.01Å; S1486-R1489 PolarHBondContact O-N 3.4Å; R1489-P1503 HydrophobicContact CB-CG 4.41Å; R1489-Y1505 PolarHBondContact O-OH 3.02Å; R1489-M1514 VanDerWaalsContact O-CE 3.28Å; R1489-M1514 WeakPolarHBondContact O-CE 3.49Å |
| 1490 | L | 90.1 | Very high | 88.9 | Confident | 57 Ų | 57 | 45.7 Ų | 45.7 | 30% | 0.298 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -69.9 | 157.2 | 160.9 | -66.3 | 173.7 | 0 | 0 | 0 | 110.1 | M1514 L1517 A1518 | L1490-M1514 HydrophobicContact CD2-CB 4.09Å; L1490-M1514 HydrophobicContact CD2-CE 3.76Å; L1490-M1514 WeakPolarHBondContact CD2-O 3.37Å; L1490-M1514 HydrophobicContact CD2-SD 3.81Å; L1490-M1514 HydrophobicContact CG-CE 4.33Å; L1490-L1517 HydrophobicContact CD1-CD2 4.35Å; L1490-L1517 HydrophobicContact CD2-CB 3.98Å; L1490-L1517 HydrophobicContact CD2-CD2 3.83Å; L1490-L1517 HydrophobicContact CD2-CG 4.43Å; L1490-A1518 HydrophobicContact CB-CB 4.31Å |
| 1491 | P | 92.5 | Very high | 88.8 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.013 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -59.4 | 141 | 166.9 | -17.7 | 33.1 | 0 | 0 | 0 | 109.4 | L1500 D1501 L1502 Y1505 L1515 | P1491-L1500 HydrophobicContact CB-CD1 3.84Å; P1491-D1501 WeakPolarHBondContact CA-O 3.3Å; P1491-D1501 WeakPolarHBondContact CB-O 3.25Å; P1491-L1502 HydrophobicContact CB-CD1 4.46Å; P1491-L1502 HydrophobicContact CG-CD1 4.18Å; P1491-Y1505 WeakPolarHBondContact CD-OH 3.39Å; P1491-Y1505 HydrophobicContact CG-CE2 4.22Å; P1491-L1515 HydrophobicContact CG-CD1 4.28Å |
| 1492 | T | 88.9 | Confident | 88.7 | Confident | 41 Ų | 41 | 44 Ų | 44 | 25% | 0.252 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 150.9 | 174.8 | 44.1 | 0 | 0 | 0 | 0 | 110 | R1485 D1501 | R1485-T1492 PolarHBondContact NH2-OG1 3.15Å; T1492-D1501 PolarHBondContact N-O 2.8Å; T1492-D1501 VanDerWaalsContact N-O 3.09Å; T1492-D1501 WeakPolarHBondContact O-CB 3.36Å; T1492-D1501 PolarHBondContact O-N 2.97Å; T1492-D1501 WeakPolarHBondContact OG1-CB 3.19Å; T1492-D1501 PolarHBondContact OG1-OD2 2.64Å |
| 1493 | A | 87.8 | Confident | 88.7 | Confident | 17 Ų | 17 | 39.4 Ų | 39.4 | 14% | 0.14 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 151.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | F1454 V1455 Q1499 | F1454-A1493 HydrophobicContact CD1-CB 4.22Å; F1454-A1493 HydrophobicContact CD2-CB 4.02Å; F1454-A1493 HydrophobicContact CE1-CB 3.91Å; F1454-A1493 HydrophobicContact CE2-CB 3.68Å; F1454-A1493 HydrophobicContact CG-CB 4.27Å; F1454-A1493 HydrophobicContact CZ-CB 3.63Å; F1454-A1493 WeakPolarHBondContact O-CB 3.35Å; V1455-A1493 HydrophobicContact CG1-CB 4.32Å; A1493-Q1499 CarbonylContact C-O 3.55Å; A1493-Q1499 WeakPolarHBondContact CA-O 3.46Å |
| 1494 | H | 84.7 | Confident | 88.9 | Confident | 47 Ų | 47 | 40.4 Ų | 40.4 | 22% | 0.218 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 101.2 | 178 | -65.6 | -73.8 | 0 | 0 | 0 | 108.9 | E1302 C1496 F1497 N1498 Q1499 | E1302-H1494 IonicContact OE1-CE1 3.66Å; E1302-H1494 IonicContact OE1-CG 2.89Å; E1302-H1494 IonicContact OE1-ND1 3.14Å; E1302-H1494 PolarHBondContact OE1-ND1 3.44Å; E1302-H1494 IonicContact OE2-ND1 3.87Å; H1494-C1496 PolarHBondContact O-N 3.36Å; H1494-F1497 HydrophobicContact CB-CD2 4.15Å; H1494-F1497 PolarHBondContact O-N 2.83Å; H1494-N1498 PolarHBondContact O-N 2.97Å; H1494-Q1499 HydrophobicContact CB-CB 4.35Å; H1494-Q1499 PolarHBondContact N-O 3.02Å; H1494-Q1499 PolarHBondContact O-N 3Å; H1494-Q1499 VanDerWaalsContact O-N 3.13Å |
| 1495 | T | 84 | Confident | 89.2 | Confident | 23 Ų | 23 | 36.3 Ų | 36.3 | 14% | 0.141 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -64.1 | -42.8 | -165.9 | 65.1 | 0 | 0 | 0 | 0 | 112.8 | D1242 V1455 F1497 N1498 | D1242-T1495 WeakPolarHBondContact OD1-CB 3.46Å; D1242-T1495 PolarHBondContact OD1-OG1 3.05Å; V1455-T1495 WeakPolarHBondContact O-CA 3.16Å; T1495-F1497 PolarHBondContact O-N 2.9Å; T1495-N1498 PolarHBondContact O-N 3.43Å; T1495-N1498 PolarHBondContact O-OD1 3.21Å |
| 1496 | C | 78 | Confident | 89.5 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -62.4 | -13.5 | -178.6 | -53.1 | 0 | 0 | 0 | 0 | 114.3 | G1241 D1242 E1302 M1472 H1494 | G1241-C1496 WeakPolarHBondContact CA-SG 3.44Å; D1242-C1496 PolarHBondContact OD1-N 2.78Å; D1242-C1496 PolarHBondContact OD1-SG 3.31Å; D1242-C1496 VanDerWaalsContact OD1-SG 3.33Å; E1302-C1496 PolarHBondContact O-SG 2.85Å; M1472-C1496 HydrophobicContact CB-CB 4.11Å; M1472-C1496 PolarHBondContact N-O 2.81Å; H1494-C1496 PolarHBondContact O-N 3.36Å |
| 1497 | F | 85 | Confident | 90 | Very high | 64 Ų | 64 | 35.2 Ų | 35.2 | 28% | 0.281 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -116.5 | 2.1 | 175.1 | -57.6 | -68.9 | 0 | 0 | 0 | 113.4 | M1472 Q1476 Q1479 H1494 T1495 Q1499 | M1472-F1497 HydrophobicContact CE-CE1 3.51Å; M1472-F1497 HydrophobicContact CE-CE2 4.36Å; M1472-F1497 HydrophobicContact CE-CZ 3.41Å; M1472-F1497 VanDerWaalsContact CE-CZ 3.41Å; Q1476-F1497 VanDerWaalsContact CG-O 3.28Å; Q1476-F1497 WeakPolarHBondContact CG-O 3.49Å; Q1479-F1497 PolarHBondContact NE2-O 2.89Å; H1494-F1497 HydrophobicContact CB-CD2 4.15Å; H1494-F1497 PolarHBondContact O-N 2.83Å; T1495-F1497 PolarHBondContact O-N 2.9Å; F1497-Q1499 HydrophobicContact CB-CB 4.09Å; F1497-Q1499 PolarHBondContact O-N 3.24Å |
| 1498 | N | 89.3 | Confident | 90.3 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.011 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 39 | -169.8 | -60 | -53.9 | 0 | 0 | 0 | 112.8 | V1455 T1456 L1469 Q1470 Q1476 F1478 Q1479 H1494 T1495 | V1455-N1498 WeakPolarHBondContact O-CA 3.27Å; T1456-N1498 WeakPolarHBondContact CA-OD1 3.38Å; T1456-N1498 VanDerWaalsContact CB-OD1 3.3Å; T1456-N1498 WeakPolarHBondContact CB-OD1 3.43Å; T1456-N1498 VanDerWaalsContact CG2-OD1 3.27Å; T1456-N1498 WeakPolarHBondContact CG2-OD1 3.34Å; L1469-N1498 HydrophobicContact CD2-CB 3.85Å; Q1470-N1498 PolarHBondContact O-ND2 3.43Å; Q1476-N1498 PolarHBondContact O-ND2 2.76Å; F1478-N1498 WeakPolarHBondContact CA-O 3.49Å; F1478-N1498 WeakPolarHBondContact CD2-O 3.23Å; Q1479-N1498 PolarHBondContact N-O 2.76Å; H1494-N1498 PolarHBondContact O-N 2.97Å; T1495-N1498 PolarHBondContact O-N 3.43Å; T1495-N1498 PolarHBondContact O-OD1 3.21Å |
| 1499 | Q | 92.8 | Very high | 90.5 | Very high | 29 Ų | 29 | 34.5 Ų | 34.5 | 14% | 0.136 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 133 | -170.6 | 173.6 | 173 | -30.6 | 0 | 0 | 112.9 | V1455 Q1479 H1481 A1493 H1494 F1497 D1501 | V1455-Q1499 WeakPolarHBondContact CG1-O 3.36Å; Q1479-Q1499 HydrophobicContact CG-CB 3.72Å; Q1479-Q1499 HydrophobicContact CG-CG 4.18Å; Q1479-Q1499 WeakPolarHBondContact O-CA 3.26Å; H1481-Q1499 VanDerWaalsContact CD2-CD 3.46Å; H1481-Q1499 PolarHBondContact NE2-OE1 3.13Å; A1493-Q1499 CarbonylContact C-O 3.55Å; A1493-Q1499 WeakPolarHBondContact CA-O 3.46Å; H1494-Q1499 HydrophobicContact CB-CB 4.35Å; H1494-Q1499 PolarHBondContact N-O 3.02Å; H1494-Q1499 PolarHBondContact O-N 3Å; H1494-Q1499 VanDerWaalsContact O-N 3.13Å; F1497-Q1499 HydrophobicContact CB-CB 4.09Å; F1497-Q1499 PolarHBondContact O-N 3.24Å; Q1499-D1501 PolarHBondContact NE2-OD1 3.22Å |
| 1500 | L | 95.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 112.3 | 168.4 | -179.5 | 67.8 | 0 | 0 | 0 | 110.7 | F1436 F1454 V1455 F1478 Q1479 I1480 H1481 P1491 L1502 | F1436-L1500 HydrophobicContact CD2-CD2 4.17Å; F1436-L1500 HydrophobicContact CE2-CD2 3.43Å; F1436-L1500 VanDerWaalsContact CE2-CD2 3.43Å; F1436-L1500 HydrophobicContact CZ-CD2 3.97Å; F1454-L1500 HydrophobicContact CD1-CD1 4.42Å; F1454-L1500 HydrophobicContact CE1-CD1 3.77Å; V1455-L1500 HydrophobicContact CG1-CB 3.92Å; V1455-L1500 HydrophobicContact CG2-CB 4.45Å; F1478-L1500 HydrophobicContact CE2-CB 3.94Å; F1478-L1500 HydrophobicContact CZ-CD2 4.43Å; Q1479-L1500 PolarHBondContact O-N 2.95Å; I1480-L1500 WeakPolarHBondContact CA-O 3.43Å; H1481-L1500 PolarHBondContact N-O 3.25Å; P1491-L1500 HydrophobicContact CB-CD1 3.84Å; L1500-L1502 PolarHBondContact O-N 3.32Å |
| 1501 | D | 94.6 | Very high | 91 | Very high | 16 Ų | 16 | 29 Ų | 29 | 9% | 0.086 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 108 | 165.6 | -85.8 | 11 | 0 | 0 | 0 | 109.1 | D1483 R1485 P1491 T1492 Q1499 | D1483-D1501 HydrophobicContact CB-CB 4.32Å; R1485-D1501 IonicContact CZ-OD2 3.79Å; R1485-D1501 IonicContact NH1-OD2 2.8Å; R1485-D1501 IonicContact NH2-OD2 2.73Å; R1485-D1501 PolarHBondContact NH2-OD2 2.81Å; P1491-D1501 WeakPolarHBondContact CA-O 3.3Å; P1491-D1501 WeakPolarHBondContact CB-O 3.25Å; T1492-D1501 PolarHBondContact N-O 2.8Å; T1492-D1501 VanDerWaalsContact N-O 3.09Å; T1492-D1501 WeakPolarHBondContact O-CB 3.36Å; T1492-D1501 PolarHBondContact O-N 2.97Å; T1492-D1501 WeakPolarHBondContact OG1-CB 3.19Å; T1492-D1501 PolarHBondContact OG1-OD2 2.64Å; Q1499-D1501 PolarHBondContact NE2-OD1 3.22Å |
| 1502 | L | 95.9 | Very high | 91 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 117.1 | -179.8 | -175.1 | 66.4 | 0 | 0 | 0 | 110.5 | Y1426 Q1432 I1433 F1436 I1480 H1481 D1483 P1491 L1500 Y1505 L1511 | Y1426-L1502 HydrophobicContact CE2-CB 4.21Å; Y1426-L1502 HydrophobicContact CE2-CD2 4.38Å; Y1426-L1502 HydrophobicContact CE2-CG 4.5Å; Y1426-L1502 PolarHBondContact OH-O 2.63Å; Q1432-L1502 HydrophobicContact CB-CD2 4.37Å; I1433-L1502 HydrophobicContact CD1-CD2 4.3Å; F1436-L1502 HydrophobicContact CB-CD2 4.34Å; I1480-L1502 HydrophobicContact CG2-CB 3.88Å; I1480-L1502 HydrophobicContact CG2-CD2 4.08Å; H1481-L1502 PolarHBondContact O-N 3.05Å; D1483-L1502 PolarHBondContact N-O 3.31Å; P1491-L1502 HydrophobicContact CB-CD1 4.46Å; P1491-L1502 HydrophobicContact CG-CD1 4.18Å; L1500-L1502 PolarHBondContact O-N 3.32Å; L1502-Y1505 HydrophobicContact CD1-CD2 4.32Å; L1502-Y1505 HydrophobicContact CD1-CE2 3.95Å; L1502-L1511 HydrophobicContact CD1-CD1 4.44Å; L1502-L1511 HydrophobicContact CD1-CG 4.45Å; L1502-L1511 HydrophobicContact CD2-CD1 4.36Å |
| 1503 | P | 95.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -65.1 | 151.1 | 172.7 | -25.3 | 35.4 | 0 | 0 | 0 | 113.2 | Y1426 D1483 R1489 Y1505 | Y1426-P1503 PolarHBondContact OH-O 3.49Å; D1483-P1503 HydrophobicContact CB-CG 4.13Å; R1489-P1503 HydrophobicContact CB-CG 4.41Å; P1503-Y1505 HydrophobicContact CB-CD1 4.42Å; P1503-Y1505 HydrophobicContact CB-CE1 3.98Å; P1503-Y1505 HydrophobicContact CB-CE2 4.15Å; P1503-Y1505 HydrophobicContact CG-CE1 4.32Å; P1503-Y1505 HydrophobicContact CG-CE2 4.27Å; P1503-Y1505 VanDerWaalsContact O-CD2 3.3Å; P1503-Y1505 WeakPolarHBondContact O-CD2 3.45Å; P1503-Y1505 PolarHBondContact O-N 2.87Å | ||
| 1504 | P | 94.9 | Very high | 91.2 | Very high | 28 Ų | 28 | 38.1 Ų | 38.1 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | trans | -77.3 | 62.6 | 179.3 | 33.1 | -37.2 | 0 | 0 | 0 | 112.3 | Y1426 D1483 V1487 | Y1426-P1504 VanDerWaalsContact OH-CA 3.29Å; Y1426-P1504 WeakPolarHBondContact OH-CA 3.26Å; D1483-P1504 WeakPolarHBondContact O-CD 3.33Å; V1487-P1504 HydrophobicContact CG1-CG 4Å; V1487-P1504 WeakPolarHBondContact CG1-O 3.42Å | ||
| 1505 | Y | 95.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -52.7 | 148.8 | 179.4 | -61.7 | -63.3 | 0 | 0 | 0 | 113.1 | Q1432 V1487 R1489 P1491 L1502 P1503 K1510 L1511 M1514 | Q1432-Y1505 PolarHBondContact NE2-O 3.32Å; V1487-Y1505 WeakPolarHBondContact O-CD1 3.29Å; V1487-Y1505 WeakPolarHBondContact O-CE1 3.45Å; R1489-Y1505 PolarHBondContact O-OH 3.02Å; P1491-Y1505 WeakPolarHBondContact CD-OH 3.39Å; P1491-Y1505 HydrophobicContact CG-CE2 4.22Å; L1502-Y1505 HydrophobicContact CD1-CD2 4.32Å; L1502-Y1505 HydrophobicContact CD1-CE2 3.95Å; P1503-Y1505 HydrophobicContact CB-CD1 4.42Å; P1503-Y1505 HydrophobicContact CB-CE1 3.98Å; P1503-Y1505 HydrophobicContact CB-CE2 4.15Å; P1503-Y1505 HydrophobicContact CG-CE1 4.32Å; P1503-Y1505 HydrophobicContact CG-CE2 4.27Å; P1503-Y1505 VanDerWaalsContact O-CD2 3.3Å; P1503-Y1505 WeakPolarHBondContact O-CD2 3.45Å; P1503-Y1505 PolarHBondContact O-N 2.87Å; Y1505-K1510 HydrophobicContact CD1-CD 3.98Å; Y1505-K1510 HydrophobicContact CD1-CG 4.07Å; Y1505-L1511 HydrophobicContact CD2-CB 3.75Å; Y1505-L1511 HydrophobicContact CD2-CD1 4.06Å; Y1505-L1511 HydrophobicContact CD2-CG 3.74Å; Y1505-L1511 HydrophobicContact CE2-CG 4.39Å; Y1505-L1511 HydrophobicContact CG-CB 4.18Å; Y1505-M1514 HydrophobicContact CE1-CB 4.01Å; Y1505-M1514 HydrophobicContact CE1-CE 4.31Å; Y1505-M1514 HydrophobicContact CE1-CG 3.85Å; Y1505-M1514 HydrophobicContact CE2-CB 4.25Å | ||
| 1506 | E | 92.7 | Very high | 91.8 | Very high | 116 Ų | 116 | 35.8 Ų | 35.8 | 54% | 0.542 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -83.1 | -21.4 | -171.6 | -48.7 | 93.2 | 109.8 | 0 | 0 | 113.4 | W1435 K1510 | W1435-E1506 WeakPolarHBondContact CH2-O 3.28Å; E1506-K1510 IonicContact OE1-NZ 3.01Å; E1506-K1510 PolarHBondContact OE1-NZ 2.84Å; E1506-K1510 WeakPolarHBondContact OE2-CD 3.18Å; E1506-K1510 WeakPolarHBondContact OE2-CE 3.37Å; E1506-K1510 IonicContact OE2-NZ 2.97Å; E1506-K1510 PolarHBondContact OE2-NZ 2.88Å |
| 1507 | S | 93.7 | Very high | 92.2 | Very high | 42 Ų | 42 | 38.7 Ų | 38.7 | 29% | 0.294 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -143.7 | 157.1 | 179.1 | 74.6 | 0 | 0 | 0 | 0 | 113 | W1435 D1509 K1510 L1511 | W1435-S1507 VanDerWaalsContact CE3-C 3.48Å; W1435-S1507 VanDerWaalsContact CZ3-CA 3.42Å; S1507-D1509 VanDerWaalsContact C-N 3.26Å; S1507-D1509 PolarHBondContact O-N 2.94Å; S1507-K1510 PolarHBondContact O-N 2.67Å; S1507-K1510 WeakPolarHBondContact OG-CB 3.26Å; S1507-K1510 PolarHBondContact OG-N 3.42Å; S1507-K1510 VanDerWaalsContact OG-N 3.11Å; S1507-L1511 WeakPolarHBondContact O-CB 3.09Å; S1507-L1511 PolarHBondContact O-N 2.95Å |
| 1508 | Y | 93.8 | Very high | 92.3 | Very high | 31 Ų | 31 | 35.7 Ų | 35.7 | 12% | 0.122 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -54.7 | -42.7 | 171.3 | 170.2 | -105 | 0 | 0 | 0 | 111.8 | W1435 R1438 A1439 L1511 R1512 | W1435-Y1508 HydrophobicContact CB-CD2 3.86Å; W1435-Y1508 AromaticContact CG-CD2 3.94Å; W1435-Y1508 HydrophobicContact CG-CD2 3.94Å; W1435-Y1508 HydrophobicContact CG-CG 4.44Å; R1438-Y1508 HydrophobicContact CB-CE2 3.83Å; R1438-Y1508 HydrophobicContact CG-CD2 4.47Å; R1438-Y1508 HydrophobicContact CG-CE2 3.62Å; A1439-Y1508 HydrophobicContact CB-CE2 4.2Å; Y1508-L1511 PolarHBondContact O-N 2.91Å; Y1508-R1512 WeakPolarHBondContact O-CB 3.4Å; Y1508-R1512 PolarHBondContact O-N 2.93Å |
| 1509 | D | 90.2 | Very high | 92.3 | Very high | 108 Ų | 108 | 35.6 Ų | 35.6 | 58% | 0.578 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -70.7 | -40.8 | -175.3 | -51 | -71.4 | 0 | 0 | 0 | 111.9 | S1507 R1512 Q1513 | S1507-D1509 VanDerWaalsContact C-N 3.26Å; S1507-D1509 PolarHBondContact O-N 2.94Å; D1509-R1512 PolarHBondContact O-N 3.16Å; D1509-Q1513 VanDerWaalsContact O-CB 3.23Å; D1509-Q1513 WeakPolarHBondContact O-CB 3.29Å; D1509-Q1513 PolarHBondContact O-N 2.71Å |
| 1510 | K | 90.5 | Very high | 91.6 | Very high | 42 Ų | 42 | 38.3 Ų | 38.3 | 18% | 0.183 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.9 | -45 | 172.9 | -168 | -175.8 | -176.8 | -174.2 | 0 | 110.3 | V1487 D1488 Y1505 E1506 S1507 Q1513 M1514 | V1487-K1510 VanDerWaalsContact O-CE 3.25Å; V1487-K1510 WeakPolarHBondContact O-CE 3.21Å; V1487-K1510 PolarHBondContact O-NZ 2.89Å; D1488-K1510 IonicContact OD1-NZ 3.61Å; D1488-K1510 PolarHBondContact OD1-NZ 2.8Å; Y1505-K1510 HydrophobicContact CD1-CD 3.98Å; Y1505-K1510 HydrophobicContact CD1-CG 4.07Å; E1506-K1510 IonicContact OE1-NZ 3.01Å; E1506-K1510 PolarHBondContact OE1-NZ 2.84Å; E1506-K1510 WeakPolarHBondContact OE2-CD 3.18Å; E1506-K1510 WeakPolarHBondContact OE2-CE 3.37Å; E1506-K1510 IonicContact OE2-NZ 2.97Å; E1506-K1510 PolarHBondContact OE2-NZ 2.88Å; S1507-K1510 PolarHBondContact O-N 2.67Å; S1507-K1510 WeakPolarHBondContact OG-CB 3.26Å; S1507-K1510 PolarHBondContact OG-N 3.42Å; S1507-K1510 VanDerWaalsContact OG-N 3.11Å; K1510-Q1513 PolarHBondContact O-N 2.91Å; K1510-M1514 HydrophobicContact CG-CG 4.16Å; K1510-M1514 WeakPolarHBondContact O-CB 3.31Å; K1510-M1514 WeakPolarHBondContact O-CG 3.22Å; K1510-M1514 PolarHBondContact O-N 3.38Å |
| 1511 | L | 95.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.4 | -50.3 | 176.5 | -173.5 | 153.2 | 0 | 0 | 0 | 111.6 | Q1432 W1435 F1436 A1439 L1502 Y1505 S1507 Y1508 Q1513 M1514 L1515 | Q1432-L1511 HydrophobicContact CB-CD1 3.93Å; Q1432-L1511 HydrophobicContact CG-CD1 4.21Å; Q1432-L1511 WeakPolarHBondContact O-CD1 3.22Å; W1435-L1511 HydrophobicContact CB-CD1 3.93Å; W1435-L1511 HydrophobicContact CB-CD2 4.42Å; W1435-L1511 HydrophobicContact CE3-CD1 4.38Å; F1436-L1511 HydrophobicContact CB-CD2 4.46Å; A1439-L1511 HydrophobicContact CB-CD2 4.33Å; L1502-L1511 HydrophobicContact CD1-CD1 4.44Å; L1502-L1511 HydrophobicContact CD1-CG 4.45Å; L1502-L1511 HydrophobicContact CD2-CD1 4.36Å; Y1505-L1511 HydrophobicContact CD2-CB 3.75Å; Y1505-L1511 HydrophobicContact CD2-CD1 4.06Å; Y1505-L1511 HydrophobicContact CD2-CG 3.74Å; Y1505-L1511 HydrophobicContact CE2-CG 4.39Å; Y1505-L1511 HydrophobicContact CG-CB 4.18Å; S1507-L1511 WeakPolarHBondContact O-CB 3.09Å; S1507-L1511 PolarHBondContact O-N 2.95Å; Y1508-L1511 PolarHBondContact O-N 2.91Å; L1511-Q1513 PolarHBondContact O-N 2.83Å; L1511-M1514 PolarHBondContact O-N 2.97Å; L1511-L1515 HydrophobicContact CD2-CD2 4.44Å; L1511-L1515 WeakPolarHBondContact O-CB 3.4Å; L1511-L1515 PolarHBondContact O-N 3.1Å |
| 1512 | R | 93.6 | Very high | 88.6 | Confident | 84 Ų | 84 | 43.7 Ų | 43.7 | 32% | 0.317 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.4 | -41.6 | 179.9 | -176 | 177.7 | -177.2 | -82 | -3.4 | 111.9 | A1439 S1442 F1443 Y1508 D1509 L1516 | A1439-R1512 HydrophobicContact CB-CB 4.11Å; A1439-R1512 HydrophobicContact CB-CG 4.05Å; S1442-R1512 PolarHBondContact OG-NE 2.94Å; F1443-R1512 HydrophobicContact CE1-CG 4.17Å; Y1508-R1512 WeakPolarHBondContact O-CB 3.4Å; Y1508-R1512 PolarHBondContact O-N 2.93Å; D1509-R1512 PolarHBondContact O-N 3.16Å; R1512-L1516 HydrophobicContact CG-CD1 4.21Å; R1512-L1516 WeakPolarHBondContact O-CB 3.26Å; R1512-L1516 WeakPolarHBondContact O-CG 3.48Å; R1512-L1516 PolarHBondContact O-N 2.75Å |
| 1513 | Q | 89.7 | Confident | 86.4 | Confident | 136 Ų | 136 | 43.8 Ų | 43.8 | 64% | 0.636 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -65 | -51.5 | 177.7 | -178.2 | 178.6 | -3.4 | 0 | 0 | 111.5 | D1509 K1510 L1511 L1515 L1516 L1517 | D1509-Q1513 VanDerWaalsContact O-CB 3.23Å; D1509-Q1513 WeakPolarHBondContact O-CB 3.29Å; D1509-Q1513 PolarHBondContact O-N 2.71Å; K1510-Q1513 PolarHBondContact O-N 2.91Å; L1511-Q1513 PolarHBondContact O-N 2.83Å; Q1513-L1515 VanDerWaalsContact C-N 3.33Å; Q1513-L1515 PolarHBondContact O-N 2.92Å; Q1513-L1516 PolarHBondContact O-N 2.73Å; Q1513-L1517 WeakPolarHBondContact O-CB 3.48Å; Q1513-L1517 PolarHBondContact O-N 2.76Å |
| 1514 | M | 91.1 | Very high | 84.2 | Confident | 30 Ų | 30 | 45.5 Ų | 45.5 | 15% | 0.148 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67 | -34.4 | -177.5 | -63.4 | -68.9 | -85.3 | 0 | 0 | 111.9 | D1488 R1489 L1490 Y1505 K1510 L1511 A1518 | D1488-M1514 WeakPolarHBondContact O-CE 3.44Å; R1489-M1514 VanDerWaalsContact O-CE 3.28Å; R1489-M1514 WeakPolarHBondContact O-CE 3.49Å; L1490-M1514 HydrophobicContact CD2-CB 4.09Å; L1490-M1514 HydrophobicContact CD2-CE 3.76Å; L1490-M1514 WeakPolarHBondContact CD2-O 3.37Å; L1490-M1514 HydrophobicContact CD2-SD 3.81Å; L1490-M1514 HydrophobicContact CG-CE 4.33Å; Y1505-M1514 HydrophobicContact CE1-CB 4.01Å; Y1505-M1514 HydrophobicContact CE1-CE 4.31Å; Y1505-M1514 HydrophobicContact CE1-CG 3.85Å; Y1505-M1514 HydrophobicContact CE2-CB 4.25Å; K1510-M1514 HydrophobicContact CG-CG 4.16Å; K1510-M1514 WeakPolarHBondContact O-CB 3.31Å; K1510-M1514 WeakPolarHBondContact O-CG 3.22Å; K1510-M1514 PolarHBondContact O-N 3.38Å; L1511-M1514 PolarHBondContact O-N 2.97Å; M1514-A1518 PolarHBondContact O-N 3.3Å |
| 1515 | L | 92.7 | Very high | 81.6 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.2 | -48.1 | 173.9 | -177.6 | 60.6 | 0 | 0 | 0 | 111.9 | F1436 A1439 V1440 F1443 L1451 P1491 L1511 Q1513 L1517 A1518 I1519 | F1436-L1515 HydrophobicContact CD2-CD2 3.68Å; F1436-L1515 HydrophobicContact CE2-CD1 4.26Å; F1436-L1515 HydrophobicContact CE2-CD2 3.75Å; A1439-L1515 HydrophobicContact CB-CD2 4.49Å; V1440-L1515 HydrophobicContact CG2-CD2 4.49Å; F1443-L1515 HydrophobicContact CE2-CD2 4.03Å; F1443-L1515 HydrophobicContact CE2-CG 4.26Å; F1443-L1515 HydrophobicContact CZ-CD2 3.88Å; F1443-L1515 HydrophobicContact CZ-CG 4.1Å; L1451-L1515 HydrophobicContact CD1-CD1 4.49Å; P1491-L1515 HydrophobicContact CG-CD1 4.28Å; L1511-L1515 HydrophobicContact CD2-CD2 4.44Å; L1511-L1515 WeakPolarHBondContact O-CB 3.4Å; L1511-L1515 PolarHBondContact O-N 3.1Å; Q1513-L1515 VanDerWaalsContact C-N 3.33Å; Q1513-L1515 PolarHBondContact O-N 2.92Å; L1515-L1517 VanDerWaalsContact C-N 3.29Å; L1515-L1517 PolarHBondContact O-N 3.38Å; L1515-A1518 PolarHBondContact O-N 3.44Å; L1515-I1519 HydrophobicContact CD1-CD1 3.81Å; L1515-I1519 HydrophobicContact CD1-CG1 4.28Å; L1515-I1519 HydrophobicContact CG-CD1 3.72Å; L1515-I1519 WeakPolarHBondContact O-CB 3.32Å; L1515-I1519 WeakPolarHBondContact O-CD1 3.5Å; L1515-I1519 WeakPolarHBondContact O-CG1 3.48Å; L1515-I1519 PolarHBondContact O-N 2.7Å |
| 1516 | L | 88.6 | Confident | 78.8 | Confident | 22 Ų | 22 | 52 Ų | 52 | 12% | 0.115 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.1 | -37.6 | 174.6 | -80.5 | 171.8 | 0 | 0 | 0 | 112.3 | F1443 D1447 R1512 Q1513 R1520 | F1443-L1516 HydrophobicContact CD1-CD1 4.48Å; F1443-L1516 HydrophobicContact CD1-CD2 3.77Å; F1443-L1516 HydrophobicContact CD1-CG 4.23Å; F1443-L1516 HydrophobicContact CE1-CD1 3.88Å; F1443-L1516 HydrophobicContact CE1-CD2 3.45Å; F1443-L1516 VanDerWaalsContact CE1-CD2 3.45Å; F1443-L1516 HydrophobicContact CE1-CG 3.47Å; F1443-L1516 VanDerWaalsContact CE1-CG 3.47Å; F1443-L1516 HydrophobicContact CE2-CD2 4.23Å; F1443-L1516 HydrophobicContact CG-CD2 4.31Å; F1443-L1516 HydrophobicContact CZ-CD2 3.71Å; F1443-L1516 HydrophobicContact CZ-CG 3.71Å; D1447-L1516 HydrophobicContact CB-CD2 4.41Å; D1447-L1516 WeakPolarHBondContact OD2-CD2 3.5Å; R1512-L1516 HydrophobicContact CG-CD1 4.21Å; R1512-L1516 WeakPolarHBondContact O-CB 3.26Å; R1512-L1516 WeakPolarHBondContact O-CG 3.48Å; R1512-L1516 PolarHBondContact O-N 2.75Å; Q1513-L1516 PolarHBondContact O-N 2.73Å; L1516-R1520 VanDerWaalsContact O-CB 3.28Å; L1516-R1520 WeakPolarHBondContact O-CB 3.34Å; L1516-R1520 VanDerWaalsContact O-CG 3.28Å; L1516-R1520 WeakPolarHBondContact O-CG 3.38Å; L1516-R1520 PolarHBondContact O-N 3.1Å |
| 1517 | L | 86.6 | Confident | 75.9 | Confident | 62 Ų | 62 | 49.6 Ų | 49.6 | 33% | 0.325 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.7 | -50.4 | 177.2 | -154.4 | 80.7 | 0 | 0 | 0 | 110.7 | L1490 Q1513 L1515 I1519 R1520 E1521 | L1490-L1517 HydrophobicContact CD1-CD2 4.35Å; L1490-L1517 HydrophobicContact CD2-CB 3.98Å; L1490-L1517 HydrophobicContact CD2-CD2 3.83Å; L1490-L1517 HydrophobicContact CD2-CG 4.43Å; Q1513-L1517 WeakPolarHBondContact O-CB 3.48Å; Q1513-L1517 PolarHBondContact O-N 2.76Å; L1515-L1517 VanDerWaalsContact C-N 3.29Å; L1515-L1517 PolarHBondContact O-N 3.38Å; L1517-I1519 PolarHBondContact O-N 2.97Å; L1517-R1520 PolarHBondContact O-N 3.04Å; L1517-E1521 HydrophobicContact CD1-CG 4.39Å; L1517-E1521 VanDerWaalsContact CD1-OE1 3.3Å; L1517-E1521 WeakPolarHBondContact CD1-OE1 3.28Å; L1517-E1521 HydrophobicContact CG-CG 4.26Å; L1517-E1521 WeakPolarHBondContact CG-OE2 3.39Å; L1517-E1521 VanDerWaalsContact O-CB 3.22Å; L1517-E1521 WeakPolarHBondContact O-CB 3.44Å; L1517-E1521 WeakPolarHBondContact O-CG 3.37Å; L1517-E1521 PolarHBondContact O-N 3.31Å |
| 1518 | A | 87 | Confident | 73.1 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.8 | -50.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1454 L1490 M1514 L1515 R1520 E1521 C1522 | F1454-A1518 HydrophobicContact CE1-CB 4.14Å; F1454-A1518 HydrophobicContact CZ-CB 4.08Å; L1490-A1518 HydrophobicContact CB-CB 4.31Å; M1514-A1518 PolarHBondContact O-N 3.3Å; L1515-A1518 PolarHBondContact O-N 3.44Å; A1518-R1520 VanDerWaalsContact C-N 3.31Å; A1518-R1520 PolarHBondContact O-N 3Å; A1518-E1521 PolarHBondContact O-N 3.49Å; A1518-C1522 WeakPolarHBondContact O-CB 3.47Å; A1518-C1522 PolarHBondContact O-N 3.46Å; A1518-C1522 PolarHBondContact O-SG 3.41Å; A1518-C1522 VanDerWaalsContact O-SG 3.38Å |
| 1519 | I | 88.2 | Confident | 70.2 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.1 | -41.6 | -178.9 | -69 | 162.9 | 0 | 0 | 0 | 112.2 | Q1400 F1443 K1450 L1451 F1454 L1515 L1517 | Q1400-I1519 PolarHBondContact NE2-O 3.26Å; F1443-I1519 HydrophobicContact CD2-CD1 4.48Å; F1443-I1519 HydrophobicContact CE2-CD1 3.69Å; F1443-I1519 HydrophobicContact CZ-CD1 4.37Å; K1450-I1519 HydrophobicContact CB-CG2 3.38Å; L1451-I1519 HydrophobicContact CB-CD1 3.9Å; L1451-I1519 HydrophobicContact CB-CG1 4.37Å; L1451-I1519 HydrophobicContact CD1-CD1 3.91Å; L1451-I1519 HydrophobicContact CD1-CG1 4.28Å; L1451-I1519 HydrophobicContact CG-CD1 4.42Å; F1454-I1519 HydrophobicContact CD1-CG1 4.08Å; L1515-I1519 HydrophobicContact CD1-CD1 3.81Å; L1515-I1519 HydrophobicContact CD1-CG1 4.28Å; L1515-I1519 HydrophobicContact CG-CD1 3.72Å; L1515-I1519 WeakPolarHBondContact O-CB 3.32Å; L1515-I1519 WeakPolarHBondContact O-CD1 3.5Å; L1515-I1519 WeakPolarHBondContact O-CG1 3.48Å; L1515-I1519 PolarHBondContact O-N 2.7Å; L1517-I1519 PolarHBondContact O-N 2.97Å |
| 1520 | R | 79.4 | Confident | 69.2 | Low | 86 Ų | 86 | 51.3 Ų | 51.3 | 33% | 0.325 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -87.9 | -24.6 | -175.1 | -66.1 | 174.2 | 168.9 | -154.7 | -2.6 | 114 | D1447 L1516 L1517 A1518 | D1447-R1520 VanDerWaalsContact CG-NH2 3.29Å; D1447-R1520 IonicContact OD1-CZ 3.44Å; D1447-R1520 IonicContact OD1-NE 3.22Å; D1447-R1520 PolarHBondContact OD1-NE 3.24Å; D1447-R1520 IonicContact OD1-NH2 3.64Å; D1447-R1520 PolarHBondContact OD1-NH2 2.84Å; D1447-R1520 VanDerWaalsContact OD1-NH2 3.15Å; D1447-R1520 IonicContact OD2-CZ 2.57Å; D1447-R1520 IonicContact OD2-NE 3.94Å; D1447-R1520 PolarHBondContact OD2-NE 2.79Å; D1447-R1520 IonicContact OD2-NH2 2.84Å; D1447-R1520 PolarHBondContact OD2-NH2 3.4Å; L1516-R1520 VanDerWaalsContact O-CB 3.28Å; L1516-R1520 WeakPolarHBondContact O-CB 3.34Å; L1516-R1520 VanDerWaalsContact O-CG 3.28Å; L1516-R1520 WeakPolarHBondContact O-CG 3.38Å; L1516-R1520 PolarHBondContact O-N 3.1Å; L1517-R1520 PolarHBondContact O-N 3.04Å; A1518-R1520 VanDerWaalsContact C-N 3.31Å; A1518-R1520 PolarHBondContact O-N 3Å |
| 1521 | E | 68.3 | Low | 68 | Low | 79 Ų | 79 | 51.7 Ų | 51.7 | 37% | 0.369 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -109.7 | -13.6 | -175 | -59.5 | -171.5 | 171.7 | 0 | 0 | 114.6 | L1517 A1518 S1523 E1524 G1525 | L1517-E1521 HydrophobicContact CD1-CG 4.39Å; L1517-E1521 VanDerWaalsContact CD1-OE1 3.3Å; L1517-E1521 WeakPolarHBondContact CD1-OE1 3.28Å; L1517-E1521 HydrophobicContact CG-CG 4.26Å; L1517-E1521 WeakPolarHBondContact CG-OE2 3.39Å; L1517-E1521 VanDerWaalsContact O-CB 3.22Å; L1517-E1521 WeakPolarHBondContact O-CB 3.44Å; L1517-E1521 WeakPolarHBondContact O-CG 3.37Å; L1517-E1521 PolarHBondContact O-N 3.31Å; A1518-E1521 PolarHBondContact O-N 3.49Å; E1521-S1523 PolarHBondContact O-N 2.75Å; E1521-E1524 CarbonylContact O-C 3.43Å; E1521-E1524 PolarHBondContact O-N 2.95Å; E1521-G1525 PolarHBondContact O-N 3.27Å |
| 1522 | C | 57.8 | Low | 66.5 | Low | 50 Ų | 50 | 54.6 Ų | 54.6 | 34% | 0.338 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -15.9 | 178.5 | -91.9 | 0 | 0 | 0 | 0 | 114.1 | R1285 F1454 A1518 | R1285-C1522 PolarHBondContact NH2-O 3.13Å; F1454-C1522 HydrophobicContact CD2-CB 4.04Å; F1454-C1522 HydrophobicContact CE2-CB 4.01Å; F1454-C1522 WeakPolarHBondContact CE2-SG 3.43Å; A1518-C1522 WeakPolarHBondContact O-CB 3.47Å; A1518-C1522 PolarHBondContact O-N 3.46Å; A1518-C1522 PolarHBondContact O-SG 3.41Å; A1518-C1522 VanDerWaalsContact O-SG 3.38Å |
| 1523 | S | 50.6 | Low | 65 | Low | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -55.2 | 162.5 | 51.1 | 0 | 0 | 0 | 0 | 112.3 | R1285 K1297 N1398 E1399 E1521 | R1285-S1523 VanDerWaalsContact NH2-CA 3.28Å; R1285-S1523 PolarHBondContact NH2-O 2.68Å; K1297-S1523 PolarHBondContact NZ-O 3.39Å; N1398-S1523 WeakPolarHBondContact ND2-CB 3.49Å; N1398-S1523 PolarHBondContact ND2-OG 3.17Å; E1399-S1523 WeakPolarHBondContact OE1-CA 3.47Å; E1399-S1523 WeakPolarHBondContact OE1-CB 3.32Å; E1399-S1523 WeakPolarHBondContact OE2-CB 3.12Å; E1521-S1523 PolarHBondContact O-N 2.75Å |
| 1524 | E | 48.2 | Very low | 63.4 | Low | 36 Ų | 36 | 47.7 Ų | 47.7 | 17% | 0.168 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -117 | 30.8 | -157.7 | -64.7 | -172.4 | 165.8 | 0 | 0 | 113.6 | R1142 K1294 E1521 F1526 F1528 | R1142-E1524 WeakPolarHBondContact CD-OE2 3.41Å; K1294-E1524 IonicContact NZ-OE1 3.86Å; K1294-E1524 PolarHBondContact NZ-OE1 1.8Å; E1521-E1524 CarbonylContact O-C 3.43Å; E1521-E1524 PolarHBondContact O-N 2.95Å; E1524-F1526 CarbonylContact O-C 3.24Å; E1524-F1526 WeakPolarHBondContact O-CA 3.48Å; E1524-F1526 PolarHBondContact O-N 3.16Å; E1524-F1528 HydrophobicContact CB-CD2 4.44Å; E1524-F1528 HydrophobicContact CG-CD2 4.28Å |
| 1525 | G | 40.6 | Very low | 61.6 | Low | 43 Ų | 43 | 48.9 Ų | 48.9 | 44% | 0.443 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -40.4 | 131.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1297 E1521 G1527 | K1297-G1525 PolarHBondContact NZ-O 3.48Å; E1521-G1525 PolarHBondContact O-N 3.27Å; G1525-G1527 PolarHBondContact O-N 2.84Å |
| 1526 | F | 35.9 | Very low | 59.3 | Low | 122 Ų | 122 | 52.4 Ų | 52.4 | 54% | 0.535 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | -40.4 | -17.7 | -119.3 | -60.4 | -82.6 | 0 | 0 | 0 | 121.8 | N1094 E1524 F1528 | N1094-F1526 PolarHBondContact ND2-O 2.9Å; N1094-F1526 PolarHBondContact OD1-O 3.38Å; E1524-F1526 CarbonylContact O-C 3.24Å; E1524-F1526 WeakPolarHBondContact O-CA 3.48Å; E1524-F1526 PolarHBondContact O-N 3.16Å; F1526-F1528 PolarHBondContact O-N 3.4Å | |
| 1527 | G | 32.2 | Very low | 57.1 | Low | 65 Ų | 65 | 54.7 Ų | 54.7 | 67% | 0.67 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | 28 | -163.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | G1525 | G1525-G1527 PolarHBondContact O-N 2.84Š|
| 1528 | F | 34.8 | Very low | 54.6 | Low | 66 Ų | 66 | 54.1 Ų | 54.1 | 29% | 0.289 | 33% | 0.331 | S | S | . | . | trans | -113.5 | 119.8 | 167.4 | -87.3 | -79.1 | 0 | 0 | 0 | 110.5 | R1142 K1294 E1524 F1526 | R1142-F1528 PolarHBondContact NH1-O 3.06Å; R1142-F1528 PolarHBondContact NH2-O 2.85Å; R1142-F1528 VanDerWaalsContact NH2-O 3.11Å; K1294-F1528 HydrophobicContact CB-CE2 4.39Å; K1294-F1528 HydrophobicContact CB-CZ 3.81Å; K1294-F1528 HydrophobicContact CD-CE1 4.31Å; K1294-F1528 HydrophobicContact CD-CE2 3.96Å; K1294-F1528 HydrophobicContact CD-CZ 3.68Å; K1294-F1528 HydrophobicContact CG-CE1 4.14Å; K1294-F1528 HydrophobicContact CG-CE2 4.25Å; K1294-F1528 HydrophobicContact CG-CZ 3.53Å; E1524-F1528 HydrophobicContact CB-CD2 4.44Å; E1524-F1528 HydrophobicContact CG-CD2 4.28Å; F1526-F1528 PolarHBondContact O-N 3.4Å | ||
| 1529 | A | 32.8 | Very low | 51.7 | Low | 98 Ų | 98 | 58.9 Ų | 58.9 | 81% | 0.81 | 36% | 0.361 | S | S | * | . | trans | -158.2 | 0 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.6 |
Retrieved 1,529 of 1,529 residues in 1168.6 ms
(Link to these results)