| 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 | 59 | Low | 91.4 | Very high | 239 Ų | 239 | 67.5 Ų | 67.5 | 100% | 1.177 | 39% | 0.394 | S | S | * | . | 0 | 149.1 | 0 | -78 | -179.1 | -106.2 | 0 | 0 | 107.5 | |||||
| 2 | A | 77.9 | Confident | 92 | Very high | 92 Ų | 92 | 66 Ų | 66 | 76% | 0.76 | 40% | 0.403 | S | S | * | . | trans | -63.1 | 139.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | S4 | A2-S4 PolarHBondContact O-N 2.97Š| ||
| 3 | Y | 85.3 | Confident | 92.4 | Very high | 145 Ų | 145 | 67.7 Ų | 67.7 | 57% | 0.569 | 42% | 0.419 | S | S | * | . | trans | -53.6 | 130 | 174.7 | -176.9 | -87.3 | 0 | 0 | 0 | 109.8 | D92 S93 | Y3-D92 WeakPolarHBondContact CA-OD2 3.36Å; Y3-D92 HydrophobicContact CD2-CB 3.74Å; Y3-D92 HydrophobicContact CE1-CB 4.49Å; Y3-D92 HydrophobicContact CE2-CB 3.61Å; Y3-D92 HydrophobicContact CG-CB 4.27Å; Y3-S93 WeakPolarHBondContact CE1-OG 3.27Å; Y3-S93 WeakPolarHBondContact OH-CB 3.46Å; Y3-S93 PolarHBondContact OH-OG 3.4Å | ||
| 4 | S | 96.1 | Very high | 92.9 | Very high | 35 Ų | 35 | 69.7 Ų | 69.7 | 25% | 0.245 | 42% | 0.415 | C | S | . | . | trans | -119.8 | 129.9 | -171.2 | 63.7 | 0 | 0 | 0 | 0 | 111.3 | A2 D92 S93 | A2-S4 PolarHBondContact O-N 2.97Å; S4-D92 PolarHBondContact N-OD2 2.95Å; S4-D92 WeakPolarHBondContact O-CA 3.26Å; S4-D92 WeakPolarHBondContact O-CB 3.43Å; S4-D92 PolarHBondContact O-N 3.44Å; S4-D92 PolarHBondContact OG-N 2.89Å; S4-D92 PolarHBondContact OG-OD2 2.84Å; S4-S93 PolarHBondContact O-N 2.78Å; S4-S93 VanDerWaalsContact O-N 3.14Å | ||
| 5 | C | 98.4 | Very high | 93.2 | Very high | 41 Ų | 41 | 65.7 Ų | 65.7 | 28% | 0.277 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 128.5 | 179 | -169.2 | 0 | 0 | 0 | 0 | 110 | Y91 S93 D100 | C5-Y91 VanDerWaalsContact C-CD1 3.44Å; C5-S93 CarbonylContact C-O 3.57Å; C5-S93 WeakPolarHBondContact CA-O 3.37Å; C5-S93 WeakPolarHBondContact CB-OG 3.37Å; C5-S93 PolarHBondContact SG-OG 2.86Å; C5-D100 VanDerWaalsContact SG-CG 3.6Å; C5-D100 PolarHBondContact SG-OD2 3.01Å |
| 6 | R | 98.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 123 | 172.2 | -172.6 | -166.4 | 175.6 | -81.7 | 6 | 108.4 | Y91 S93 Y94 S95 D125 V126 E128 E132 | R6-Y91 HydrophobicContact CB-CD1 4.17Å; R6-Y91 HydrophobicContact CB-CD2 3.57Å; R6-Y91 HydrophobicContact CB-CE1 4.38Å; R6-Y91 HydrophobicContact CB-CE2 3.82Å; R6-Y91 HydrophobicContact CB-CG 3.75Å; R6-Y91 HydrophobicContact CG-CD2 3.96Å; R6-Y91 HydrophobicContact CG-CE2 3.82Å; R6-Y91 VanDerWaalsContact N-CD1 3.32Å; R6-S93 PolarHBondContact N-O 2.9Å; R6-Y94 HydrophobicContact CB-CD1 4.22Å; R6-Y94 HydrophobicContact CB-CD2 4.1Å; R6-Y94 HydrophobicContact CB-CE1 4.47Å; R6-Y94 HydrophobicContact CB-CE2 4.33Å; R6-Y94 HydrophobicContact CB-CG 4.01Å; R6-Y94 HydrophobicContact CG-CD1 4.37Å; R6-Y94 HydrophobicContact CG-CE1 4.38Å; R6-S95 WeakPolarHBondContact O-CB 3.41Å; R6-S95 PolarHBondContact O-N 2.86Å; R6-D125 WeakPolarHBondContact CD-OD1 3.39Å; R6-D125 VanDerWaalsContact CZ-O 3.23Å; R6-D125 PolarHBondContact NE-O 2.82Å; R6-D125 IonicContact NE-OD1 2.81Å; R6-D125 PolarHBondContact NE-OD1 2.8Å; R6-D125 PolarHBondContact NH2-O 3.18Å; R6-V126 HydrophobicContact CG-CG2 4Å; R6-V126 PolarHBondContact NH2-O 2.94Å; R6-E128 PolarHBondContact NH2-O 2.8Å; R6-E132 IonicContact CZ-OE2 3.48Å; R6-E132 IonicContact NH1-OE2 3.25Å; R6-E132 PolarHBondContact NH1-OE2 3.41Å; R6-E132 IonicContact NH2-OE2 3.69Å; R6-E132 PolarHBondContact NH2-OE2 3.29Å |
| 7 | P | 98.3 | Very high | 93.8 | Very high | 62 Ų | 62 | 65.3 Ų | 65.3 | 40% | 0.403 | 39% | 0.385 | S | S | . | . | trans | -65 | 152.4 | 177 | 28.1 | -36.4 | 0 | 0 | 0 | 111.8 | S9 V126 | P7-S9 PolarHBondContact O-N 2.99Å; P7-V126 HydrophobicContact CG-CG1 4.13Å; P7-V126 HydrophobicContact CG-CG2 3.93Å | ||
| 8 | A | 98.2 | Very high | 94.1 | Very high | 26 Ų | 26 | 66.3 Ų | 66.3 | 22% | 0.215 | 39% | 0.388 | C | S | . | . | trans | -77.8 | 71.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | H10 A11 Y15 E132 | A8-H10 PolarHBondContact O-N 2.9Å; A8-A11 HydrophobicContact CB-CB 4.07Å; A8-A11 WeakPolarHBondContact O-CB 3.08Å; A8-A11 PolarHBondContact O-N 3.41Å; A8-Y15 WeakPolarHBondContact CB-OH 3.47Å; A8-E132 WeakPolarHBondContact CA-OE1 3.5Å | ||
| 9 | S | 97.5 | Very high | 94.3 | Very high | 52 Ų | 52 | 68.8 Ų | 68.8 | 36% | 0.364 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -17.7 | -169.6 | 50.4 | 0 | 0 | 0 | 0 | 114.6 | P7 V126 E132 | P7-S9 PolarHBondContact O-N 2.99Å; S9-V126 PolarHBondContact OG-O 2.98Å; S9-E132 PolarHBondContact N-OE1 2.96Å; S9-E132 VanDerWaalsContact N-OE1 3.16Å; S9-E132 PolarHBondContact OG-OE2 3.28Å |
| 10 | H | 98 | Very high | 94.5 | Very high | 27 Ų | 27 | 76.1 Ų | 76.1 | 13% | 0.125 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -3.2 | -179.5 | -59.9 | 78.7 | 0 | 0 | 0 | 113 | A8 S13 W14 Y15 H129 E132 M133 | A8-H10 PolarHBondContact O-N 2.9Å; H10-S13 PolarHBondContact O-N 2.73Å; H10-S13 PolarHBondContact O-OG 3.33Å; H10-W14 HydrophobicContact CB-CB 4.08Å; H10-W14 HydrophobicContact CB-CG 4.04Å; H10-W14 AromaticContact CD2-CD1 3.56Å; H10-W14 AromaticContact CD2-NE1 3.56Å; H10-W14 PolarHBondContact O-N 3.07Å; H10-Y15 HydrophobicContact CB-CE1 4Å; H10-H129 WeakPolarHBondContact NE2-CB 3.36Å; H10-E132 WeakPolarHBondContact CA-OE1 3.29Å; H10-E132 WeakPolarHBondContact CB-OE1 3.31Å; H10-E132 IonicContact CE1-OE2 3.96Å; H10-E132 IonicContact CG-OE1 3.04Å; H10-E132 IonicContact CG-OE2 3.67Å; H10-E132 PolarHBondContact N-OE1 2.97Å; H10-E132 VanDerWaalsContact ND1-CD 3.33Å; H10-E132 IonicContact ND1-OE1 3.23Å; H10-E132 IonicContact ND1-OE2 3.37Å; H10-E132 PolarHBondContact ND1-OE2 2.9Å; H10-M133 HydrophobicContact CB-SD 4.48Å |
| 11 | A | 98.4 | Very high | 94.7 | Very high | 24 Ų | 24 | 77.5 Ų | 77.5 | 20% | 0.198 | 42% | 0.42 | C | S | . | . | B | Isolated β-bridge | trans | -60.1 | 141.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | A8 S13 Y15 D17 P97 | A8-A11 HydrophobicContact CB-CB 4.07Å; A8-A11 WeakPolarHBondContact O-CB 3.08Å; A8-A11 PolarHBondContact O-N 3.41Å; A11-S13 PolarHBondContact O-N 3.19Å; A11-Y15 HydrophobicContact CB-CD2 4.3Å; A11-Y15 HydrophobicContact CB-CE2 3.54Å; A11-D17 HydrophobicContact CB-CB 3.84Å; A11-P97 HydrophobicContact CB-CG 4.39Å |
| 12 | G | 98.1 | Very high | 96.6 | Very high | 49 Ų | 49 | 66.1 Ų | 66.1 | 51% | 0.505 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | -6.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y15 | G12-Y15 WeakPolarHBondContact CA-O 3.35Å; G12-Y15 PolarHBondContact N-O 3.38Å |
| 13 | S | 97.8 | Very high | 97.6 | Very high | 88 Ų | 88 | 63.8 Ų | 63.8 | 62% | 0.615 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.2 | -47 | 178.4 | 53.7 | 0 | 0 | 0 | 0 | 113.7 | H10 A11 | H10-S13 PolarHBondContact O-N 2.73Å; H10-S13 PolarHBondContact O-OG 3.33Å; A11-S13 PolarHBondContact O-N 3.19Å |
| 14 | W | 98.5 | Very high | 98.2 | Very high | 96 Ų | 96 | 58.6 Ų | 58.6 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -24.5 | 178.7 | -69.4 | 67 | 0 | 0 | 0 | 112.9 | H10 G49 Y50 H129 M133 | H10-W14 HydrophobicContact CB-CB 4.08Å; H10-W14 HydrophobicContact CB-CG 4.04Å; H10-W14 AromaticContact CD2-CD1 3.56Å; H10-W14 AromaticContact CD2-NE1 3.56Å; H10-W14 PolarHBondContact O-N 3.07Å; W14-G49 VanDerWaalsContact CE3-N 3.27Å; W14-G49 CarbonylContact O-C 3.53Å; W14-G49 VanDerWaalsContact O-CA 3.31Å; W14-G49 WeakPolarHBondContact O-CA 3.4Å; W14-Y50 PolarHBondContact O-N 2.68Å; W14-H129 AromaticContact CZ3-CD2 3.87Å; W14-M133 HydrophobicContact CB-CE 3.69Å; W14-M133 HydrophobicContact CB-SD 3.52Å; W14-M133 VanDerWaalsContact CB-SD 3.52Å; W14-M133 HydrophobicContact CD2-SD 4.43Å; W14-M133 HydrophobicContact CE3-CE 4.4Å; W14-M133 HydrophobicContact CE3-CG 4.39Å; W14-M133 HydrophobicContact CE3-SD 4.22Å; W14-M133 HydrophobicContact CG-SD 4.17Å |
| 15 | Y | 98.7 | Very high | 98.3 | Very high | 9 Ų | 9 | 59.7 Ų | 59.7 | 4% | 0.035 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -150 | 161.2 | 173.5 | 57.2 | -85.7 | 0 | 0 | 0 | 108.4 | A8 H10 A11 G12 D17 L22 Y50 P97 E132 M133 P136 | A8-Y15 WeakPolarHBondContact CB-OH 3.47Å; H10-Y15 HydrophobicContact CB-CE1 4Å; A11-Y15 HydrophobicContact CB-CD2 4.3Å; A11-Y15 HydrophobicContact CB-CE2 3.54Å; G12-Y15 WeakPolarHBondContact CA-O 3.35Å; G12-Y15 PolarHBondContact N-O 3.38Å; Y15-D17 PolarHBondContact O-N 3.28Å; Y15-L22 HydrophobicContact CD2-CD1 4.36Å; Y15-L22 HydrophobicContact CD2-CD2 3.92Å; Y15-L22 HydrophobicContact CE2-CD2 4.47Å; Y15-Y50 HydrophobicContact CG-CE2 4.42Å; Y15-P97 HydrophobicContact CD2-CG 4.27Å; Y15-P97 HydrophobicContact CE2-CG 3.73Å; Y15-E132 HydrophobicContact CE1-CG 4.23Å; Y15-E132 PolarHBondContact OH-OE1 2.87Å; Y15-M133 HydrophobicContact CD1-CE 3.82Å; Y15-M133 HydrophobicContact CD1-SD 3.68Å; Y15-M133 HydrophobicContact CE1-SD 3.9Å; Y15-P136 HydrophobicContact CD1-CG 4.5Å; Y15-P136 HydrophobicContact CD2-CG 3.92Å; Y15-P136 HydrophobicContact CE1-CG 4.38Å; Y15-P136 HydrophobicContact CE2-CG 3.76Å; Y15-P136 HydrophobicContact CG-CG 4.29Å |
| 16 | S | 98.3 | Very high | 98.4 | Very high | 14 Ų | 14 | 57.8 Ų | 57.8 | 10% | 0.098 | 32% | 0.318 | C | S | . | . | trans | -64.5 | 135 | -179.2 | -176.6 | 0 | 0 | 0 | 0 | 111.2 | N18 E21 | S16-N18 VanDerWaalsContact C-N 3.26Å; S16-N18 WeakPolarHBondContact OG-CB 3.39Å; S16-N18 PolarHBondContact OG-N 3.2Å; S16-N18 VanDerWaalsContact OG-N 3.12Å; S16-E21 WeakPolarHBondContact CB-OE2 3.44Å; S16-E21 PolarHBondContact OG-OE2 3.45Å | ||
| 17 | D | 97.9 | Very high | 98.4 | Very high | 111 Ų | 111 | 59.4 Ų | 59.4 | 59% | 0.594 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -80.9 | -8.4 | 169 | 59 | -4.4 | 0 | 0 | 0 | 112.4 | A11 Y15 | A11-D17 HydrophobicContact CB-CB 3.84Å; Y15-D17 PolarHBondContact O-N 3.28Å |
| 18 | N | 98.4 | Very high | 98.4 | Very high | 84 Ų | 84 | 62.9 Ų | 62.9 | 45% | 0.449 | 34% | 0.337 | S | S | . | . | trans | -84.5 | 112.3 | 174.6 | -172.6 | -73.7 | 0 | 0 | 0 | 110.7 | S16 R20 E21 L22 | S16-N18 VanDerWaalsContact C-N 3.26Å; S16-N18 WeakPolarHBondContact OG-CB 3.39Å; S16-N18 PolarHBondContact OG-N 3.2Å; S16-N18 VanDerWaalsContact OG-N 3.12Å; N18-R20 VanDerWaalsContact C-N 3.28Å; N18-R20 PolarHBondContact O-N 3.3Å; N18-R20 WeakPolarHBondContact OD1-CB 3.48Å; N18-R20 PolarHBondContact OD1-N 3.36Å; N18-R20 VanDerWaalsContact OD1-N 3.11Å; N18-E21 HydrophobicContact CB-CB 4.04Å; N18-E21 PolarHBondContact O-N 2.89Å; N18-E21 PolarHBondContact OD1-N 3.24Å; N18-E21 VanDerWaalsContact OD1-N 3.09Å; N18-L22 WeakPolarHBondContact O-CB 3.31Å; N18-L22 PolarHBondContact O-N 3.27Å | ||
| 19 | E | 98.5 | Very high | 98.4 | Very high | 113 Ų | 113 | 63.8 Ų | 63.8 | 53% | 0.528 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -49.6 | -45.5 | -179.4 | -171.7 | -173.4 | 165.1 | 0 | 0 | 113.1 | N23 P97 F98 | E19-N23 WeakPolarHBondContact O-CB 3.35Å; E19-N23 PolarHBondContact O-N 3.48Å; E19-P97 WeakPolarHBondContact CB-O 3.47Å; E19-P97 WeakPolarHBondContact CG-O 3.49Å; E19-F98 HydrophobicContact CG-CD1 3.65Å; E19-F98 HydrophobicContact CG-CE1 4.08Å |
| 20 | R | 98.5 | Very high | 98.5 | Very high | 215 Ų | 215 | 62 Ų | 62 | 81% | 0.811 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -69.2 | -42.6 | -176 | -176.9 | -179.8 | 178.9 | 176.6 | 0.6 | 112.1 | N18 G24 | N18-R20 VanDerWaalsContact C-N 3.28Å; N18-R20 PolarHBondContact O-N 3.3Å; N18-R20 WeakPolarHBondContact OD1-CB 3.48Å; N18-R20 PolarHBondContact OD1-N 3.36Å; N18-R20 VanDerWaalsContact OD1-N 3.11Å; R20-G24 PolarHBondContact O-N 2.86Å; R20-G24 VanDerWaalsContact O-N 3.08Å |
| 21 | E | 98.6 | Very high | 98.5 | Very high | 105 Ų | 105 | 69.9 Ų | 69.9 | 49% | 0.491 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.2 | -49.1 | 177.1 | -174.9 | -174.6 | -176 | 0 | 0 | 110.6 | S16 N18 N23 G24 Q25 | S16-E21 WeakPolarHBondContact CB-OE2 3.44Å; S16-E21 PolarHBondContact OG-OE2 3.45Å; N18-E21 HydrophobicContact CB-CB 4.04Å; N18-E21 PolarHBondContact O-N 2.89Å; N18-E21 PolarHBondContact OD1-N 3.24Å; N18-E21 VanDerWaalsContact OD1-N 3.09Å; E21-N23 VanDerWaalsContact C-N 3.33Å; E21-N23 PolarHBondContact O-N 2.96Å; E21-G24 PolarHBondContact O-N 2.84Å; E21-G24 VanDerWaalsContact O-N 3.12Å; E21-Q25 PolarHBondContact O-N 3.38Å |
| 22 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.6 | -44 | 179 | -171.4 | 62.1 | 0 | 0 | 0 | 111.2 | Y15 N18 G24 Q25 L26 Y50 P97 F98 P136 | Y15-L22 HydrophobicContact CD2-CD1 4.36Å; Y15-L22 HydrophobicContact CD2-CD2 3.92Å; Y15-L22 HydrophobicContact CE2-CD2 4.47Å; N18-L22 WeakPolarHBondContact O-CB 3.31Å; N18-L22 PolarHBondContact O-N 3.27Å; L22-G24 VanDerWaalsContact C-N 3.31Å; L22-G24 PolarHBondContact O-N 3.18Å; L22-Q25 PolarHBondContact O-N 3.27Å; L22-L26 HydrophobicContact CD1-CD1 4.43Å; L22-L26 HydrophobicContact CD1-CG 4.31Å; L22-L26 HydrophobicContact CG-CD1 4.19Å; L22-L26 HydrophobicContact CG-CG 4.4Å; L22-L26 WeakPolarHBondContact O-CG 3.42Å; L22-L26 PolarHBondContact O-N 3.22Å; L22-Y50 HydrophobicContact CD1-CD2 3.95Å; L22-Y50 HydrophobicContact CD1-CE2 3.99Å; L22-P97 HydrophobicContact CD2-CB 3.95Å; L22-P97 HydrophobicContact CD2-CG 3.77Å; L22-F98 HydrophobicContact CB-CE1 4.41Å; L22-F98 HydrophobicContact CB-CZ 4.02Å; L22-F98 HydrophobicContact CD2-CE1 4.5Å; L22-F98 HydrophobicContact CD2-CE2 3.82Å; L22-F98 HydrophobicContact CD2-CZ 3.75Å; L22-F98 HydrophobicContact CG-CE1 4.48Å; L22-F98 HydrophobicContact CG-CE2 4.12Å; L22-F98 HydrophobicContact CG-CZ 3.66Å; L22-P136 HydrophobicContact CD2-CB 3.93Å; L22-P136 HydrophobicContact CD2-CG 4.45Å |
| 23 | N | 98.7 | Very high | 98.5 | Very high | 43 Ų | 43 | 70.8 Ų | 70.8 | 23% | 0.23 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -56.1 | -47.6 | 174.6 | -174 | 72.5 | 0 | 0 | 0 | 111.1 | E19 E21 Q25 L26 D27 F98 K140 | E19-N23 WeakPolarHBondContact O-CB 3.35Å; E19-N23 PolarHBondContact O-N 3.48Å; E21-N23 VanDerWaalsContact C-N 3.33Å; E21-N23 PolarHBondContact O-N 2.96Å; N23-Q25 PolarHBondContact O-N 3.2Å; N23-L26 PolarHBondContact O-N 3.37Å; N23-D27 PolarHBondContact ND2-OD2 3.22Å; N23-D27 VanDerWaalsContact O-CB 3.23Å; N23-D27 WeakPolarHBondContact O-CB 3.35Å; N23-D27 PolarHBondContact O-N 3.5Å; N23-F98 HydrophobicContact CB-CE1 3.81Å; N23-F98 HydrophobicContact CB-CZ 4.38Å; N23-K140 VanDerWaalsContact OD1-CE 3.31Å; N23-K140 WeakPolarHBondContact OD1-CE 3.47Å; N23-K140 PolarHBondContact OD1-NZ 3.36Å |
| 24 | G | 98.7 | Very high | 98.4 | Very high | 36 Ų | 36 | 74.9 Ų | 74.9 | 37% | 0.371 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R20 E21 L22 Q28 | R20-G24 PolarHBondContact O-N 2.86Å; R20-G24 VanDerWaalsContact O-N 3.08Å; E21-G24 PolarHBondContact O-N 2.84Å; E21-G24 VanDerWaalsContact O-N 3.12Å; L22-G24 VanDerWaalsContact C-N 3.31Å; L22-G24 PolarHBondContact O-N 3.18Å; G24-Q28 VanDerWaalsContact O-CB 3.27Å; G24-Q28 WeakPolarHBondContact O-CB 3.43Å; G24-Q28 PolarHBondContact O-N 3.01Å |
| 25 | Q | 98.5 | Very high | 98.4 | Very high | 59 Ų | 59 | 74.5 Ų | 74.5 | 28% | 0.276 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.6 | -52.2 | 177.6 | -71.2 | 179.9 | -27.3 | 0 | 0 | 111.9 | E21 L22 N23 D27 Q28 W29 | E21-Q25 PolarHBondContact O-N 3.38Å; L22-Q25 PolarHBondContact O-N 3.27Å; N23-Q25 PolarHBondContact O-N 3.2Å; Q25-D27 PolarHBondContact O-N 3.34Å; Q25-Q28 PolarHBondContact O-N 2.9Å; Q25-W29 HydrophobicContact CB-CE3 4.41Å; Q25-W29 HydrophobicContact CB-CH2 4.17Å; Q25-W29 HydrophobicContact CB-CZ3 4.09Å; Q25-W29 PolarHBondContact O-N 3.23Å |
| 26 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.5 | -43.4 | -179.2 | -61 | -175.7 | 0 | 0 | 0 | 111.3 | L22 N23 Q28 W29 L30 Y50 F98 P136 Y137 K140 | L22-L26 HydrophobicContact CD1-CD1 4.43Å; L22-L26 HydrophobicContact CD1-CG 4.31Å; L22-L26 HydrophobicContact CG-CD1 4.19Å; L22-L26 HydrophobicContact CG-CG 4.4Å; L22-L26 WeakPolarHBondContact O-CG 3.42Å; L22-L26 PolarHBondContact O-N 3.22Å; N23-L26 PolarHBondContact O-N 3.37Å; L26-Q28 VanDerWaalsContact C-N 3.33Å; L26-Q28 PolarHBondContact O-N 2.77Å; L26-W29 HydrophobicContact CD2-CE3 4.03Å; L26-W29 HydrophobicContact CD2-CZ3 4.07Å; L26-W29 PolarHBondContact O-N 2.9Å; L26-L30 VanDerWaalsContact O-CB 3.3Å; L26-L30 WeakPolarHBondContact O-CB 3.25Å; L26-L30 VanDerWaalsContact O-CG 3.22Å; L26-L30 WeakPolarHBondContact O-CG 3.48Å; L26-L30 PolarHBondContact O-N 3.11Å; L26-Y50 HydrophobicContact CD2-CD2 4.1Å; L26-Y50 HydrophobicContact CD2-CE2 3.77Å; L26-F98 HydrophobicContact CD1-CE2 3.69Å; L26-F98 HydrophobicContact CD1-CZ 3.85Å; L26-P136 HydrophobicContact CD1-CB 4.19Å; L26-Y137 HydrophobicContact CB-CE1 4.48Å; L26-Y137 HydrophobicContact CD2-CD1 4.07Å; L26-Y137 HydrophobicContact CD2-CD2 3.9Å; L26-Y137 HydrophobicContact CD2-CE1 3.72Å; L26-Y137 HydrophobicContact CD2-CE2 3.55Å; L26-Y137 HydrophobicContact CD2-CG 4.15Å; L26-Y137 VanDerWaalsContact CD2-CZ 3.44Å; L26-K140 HydrophobicContact CB-CG 4.05Å; L26-K140 HydrophobicContact CD1-CB 3.83Å; L26-K140 HydrophobicContact CD1-CG 4.21Å |
| 27 | D | 98.6 | Very high | 98.1 | Very high | 34 Ų | 34 | 78.4 Ų | 78.4 | 18% | 0.182 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 175.7 | -89.3 | -29.7 | 0 | 0 | 0 | 111.8 | N23 Q25 R31 K140 | N23-D27 PolarHBondContact ND2-OD2 3.22Å; N23-D27 VanDerWaalsContact O-CB 3.23Å; N23-D27 WeakPolarHBondContact O-CB 3.35Å; N23-D27 PolarHBondContact O-N 3.5Å; Q25-D27 PolarHBondContact O-N 3.34Å; D27-R31 VanDerWaalsContact O-CB 3.28Å; D27-R31 WeakPolarHBondContact O-CB 3.32Å; D27-R31 WeakPolarHBondContact O-CG 3.47Å; D27-R31 PolarHBondContact O-N 3.05Å; D27-K140 WeakPolarHBondContact OD1-CE 3.39Å; D27-K140 IonicContact OD1-NZ 3.33Å; D27-K140 PolarHBondContact OD1-NZ 2.86Å; D27-K140 IonicContact OD2-NZ 3.74Å; D27-K140 PolarHBondContact OD2-NZ 3.01Å |
| 28 | Q | 98.7 | Very high | 98.1 | Very high | 135 Ų | 135 | 74.8 Ų | 74.8 | 63% | 0.631 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -61.9 | -48.2 | 178.6 | -176.9 | -179.5 | 10.2 | 0 | 0 | 111.3 | G24 Q25 L26 R31 S32 | G24-Q28 VanDerWaalsContact O-CB 3.27Å; G24-Q28 WeakPolarHBondContact O-CB 3.43Å; G24-Q28 PolarHBondContact O-N 3.01Å; Q25-Q28 PolarHBondContact O-N 2.9Å; L26-Q28 VanDerWaalsContact C-N 3.33Å; L26-Q28 PolarHBondContact O-N 2.77Å; Q28-R31 PolarHBondContact O-N 3.28Å; Q28-S32 PolarHBondContact O-N 3.33Å |
| 29 | W | 98.8 | Very high | 98 | Very high | 46 Ų | 46 | 73.7 Ų | 73.7 | 17% | 0.174 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.6 | -39.8 | 179 | -62.7 | -34.8 | 0 | 0 | 0 | 112.5 | Q25 L26 R31 S32 V33 Y50 A58 Y137 | Q25-W29 HydrophobicContact CB-CE3 4.41Å; Q25-W29 HydrophobicContact CB-CH2 4.17Å; Q25-W29 HydrophobicContact CB-CZ3 4.09Å; Q25-W29 PolarHBondContact O-N 3.23Å; L26-W29 HydrophobicContact CD2-CE3 4.03Å; L26-W29 HydrophobicContact CD2-CZ3 4.07Å; L26-W29 PolarHBondContact O-N 2.9Å; W29-R31 VanDerWaalsContact C-N 3.28Å; W29-R31 PolarHBondContact O-N 3.35Å; W29-S32 PolarHBondContact O-N 3.47Å; W29-S32 PolarHBondContact O-OG 3.14Å; W29-V33 WeakPolarHBondContact O-CG2 3.33Å; W29-Y50 WeakPolarHBondContact CH2-O 3.44Å; W29-Y50 HydrophobicContact CZ3-CD2 4.28Å; W29-Y50 HydrophobicContact CZ3-CG 4.41Å; W29-A58 HydrophobicContact CB-CB 3.71Å; W29-Y137 VanDerWaalsContact CE3-OH 3.27Å |
| 30 | L | 98.8 | Very high | 98 | Very high | 14 Ų | 14 | 68.4 Ų | 68.4 | 7% | 0.073 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.4 | -26.1 | 176.7 | -71.7 | 168.4 | 0 | 0 | 0 | 112.9 | L26 A58 K62 Y137 K140 V141 | L26-L30 VanDerWaalsContact O-CB 3.3Å; L26-L30 WeakPolarHBondContact O-CB 3.25Å; L26-L30 VanDerWaalsContact O-CG 3.22Å; L26-L30 WeakPolarHBondContact O-CG 3.48Å; L26-L30 PolarHBondContact O-N 3.11Å; L30-A58 HydrophobicContact CD2-CB 4.25Å; L30-K62 HydrophobicContact CD2-CB 4.23Å; L30-K62 HydrophobicContact CD2-CD 4.46Å; L30-K62 WeakPolarHBondContact O-CD 3.46Å; L30-K62 WeakPolarHBondContact O-CE 3.2Å; L30-K62 PolarHBondContact O-NZ 3.31Å; L30-Y137 HydrophobicContact CD1-CD1 4.48Å; L30-Y137 HydrophobicContact CD1-CE1 4.26Å; L30-Y137 HydrophobicContact CD2-CD1 4.43Å; L30-Y137 HydrophobicContact CD2-CE1 3.99Å; L30-Y137 HydrophobicContact CG-CE1 3.98Å; L30-K140 HydrophobicContact CD1-CG 3.91Å; L30-V141 HydrophobicContact CD1-CG2 4.14Å; L30-V141 HydrophobicContact CD2-CG2 4.24Å |
| 31 | R | 98.2 | Very high | 98 | Very high | 192 Ų | 192 | 59.2 Ų | 59.2 | 73% | 0.725 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -80.8 | -24.3 | 176.3 | -75.7 | 173.5 | -176.5 | -178.1 | 3.7 | 113.2 | D27 Q28 W29 V33 | D27-R31 VanDerWaalsContact O-CB 3.28Å; D27-R31 WeakPolarHBondContact O-CB 3.32Å; D27-R31 WeakPolarHBondContact O-CG 3.47Å; D27-R31 PolarHBondContact O-N 3.05Å; Q28-R31 PolarHBondContact O-N 3.28Å; W29-R31 VanDerWaalsContact C-N 3.28Å; W29-R31 PolarHBondContact O-N 3.35Å; R31-V33 VanDerWaalsContact C-N 3.26Å; R31-V33 PolarHBondContact O-N 2.74Å |
| 32 | S | 97.6 | Very high | 98 | Very high | 84 Ų | 84 | 54.3 Ų | 54.3 | 59% | 0.587 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -79.6 | -8.6 | 177.6 | 63.9 | 0 | 0 | 0 | 0 | 113.6 | Q28 W29 | Q28-S32 PolarHBondContact O-N 3.33Å; W29-S32 PolarHBondContact O-N 3.47Å; W29-S32 PolarHBondContact O-OG 3.14Å |
| 33 | V | 98.2 | Very high | 98 | Very high | 9 Ų | 9 | 54.3 Ų | 54.3 | 6% | 0.055 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -103.6 | 137.6 | -177 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | W29 R31 A58 Y59 K62 | W29-V33 WeakPolarHBondContact O-CG2 3.33Å; R31-V33 VanDerWaalsContact C-N 3.26Å; R31-V33 PolarHBondContact O-N 2.74Å; V33-A58 HydrophobicContact CG2-CB 4.02Å; V33-Y59 HydrophobicContact CG1-CD1 4.04Å; V33-Y59 HydrophobicContact CG1-CG 4.15Å; V33-Y59 HydrophobicContact CG2-CD1 4.13Å; V33-Y59 HydrophobicContact CG2-CD2 3.61Å; V33-Y59 HydrophobicContact CG2-CE1 4.24Å; V33-Y59 HydrophobicContact CG2-CE2 3.73Å; V33-Y59 HydrophobicContact CG2-CG 3.81Å; V33-K62 HydrophobicContact CB-CB 4.13Å; V33-K62 HydrophobicContact CB-CG 4.04Å; V33-K62 HydrophobicContact CG1-CB 3.57Å; V33-K62 HydrophobicContact CG1-CG 3.68Å |
| 34 | K | 96.8 | Very high | 98.1 | Very high | 174 Ų | 174 | 52.5 Ų | 52.5 | 76% | 0.757 | 27% | 0.271 | S | S | * | . | trans | -83.8 | 149.2 | 172.5 | -65.5 | 179.9 | -178.7 | 176.3 | 0 | 111.1 | Q63 | K34-Q63 PolarHBondContact O-NE2 3.2Š| ||
| 35 | V | 97.4 | Very high | 98.1 | Very high | 88 Ų | 88 | 50.8 Ų | 50.8 | 53% | 0.533 | 25% | 0.253 | S | S | . | . | trans | -87.3 | 109.5 | 168.6 | -175.5 | 0 | 0 | 0 | 0 | 107.7 | K62 | V35-K62 HydrophobicContact CG2-CD 4.22Å; V35-K62 HydrophobicContact CG2-CG 3.95Å | ||
| 36 | D | 93.9 | Very high | 98.1 | Very high | 101 Ų | 101 | 48.1 Ų | 48.1 | 54% | 0.54 | 24% | 0.241 | S | C | . | . | trans | -134 | -19 | -175.4 | 54.8 | 8.6 | 0 | 0 | 0 | 114 | ||||
| 37 | H | 97.9 | Very high | 98.1 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.019 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -136.5 | 64 | 178.8 | -161.9 | -112.7 | 0 | 0 | 0 | 111.7 | Q63 S266 Q268 L270 S292 V294 | H37-Q63 VanDerWaalsContact N-OE1 3.08Å; H37-Q63 WeakPolarHBondContact O-CB 3.37Å; H37-S266 PolarHBondContact CE1-O 3.19Å; H37-S266 PolarHBondContact NE2-OG 2.88Å; H37-Q268 PolarHBondContact CD2-OE1 3.4Å; H37-L270 HydrophobicContact CB-CD1 4.5Å; H37-L270 HydrophobicContact CB-CD2 4.02Å; H37-S292 WeakPolarHBondContact CB-OG 3.47Å; H37-S292 PolarHBondContact CE1-O 3.04Å; H37-S292 PolarHBondContact ND1-O 2.69Å; H37-S292 PolarHBondContact ND1-OG 3.39Å; H37-S292 PolarHBondContact O-OG 2.84Å; H37-V294 VanDerWaalsContact C-CG1 3.45Å; H37-V294 WeakPolarHBondContact NE2-CG2 3.33Å; H37-V294 VanDerWaalsContact O-CG1 3.26Å; H37-V294 WeakPolarHBondContact O-CG1 3.47Å |
| 38 | S | 97.7 | Very high | 98 | Very high | 35 Ų | 35 | 46.9 Ų | 46.9 | 25% | 0.245 | 24% | 0.236 | C | C | . | . | trans | -127.4 | 158.7 | -172.4 | -177.9 | 0 | 0 | 0 | 0 | 111.6 | Q63 | S38-Q63 VanDerWaalsContact CB-O 3.27Å; S38-Q63 WeakPolarHBondContact CB-O 3.23Å; S38-Q63 PolarHBondContact OG-O 3.02Å | ||
| 39 | P | 97.1 | Very high | 98 | Very high | 60 Ų | 60 | 40.8 Ų | 40.8 | 39% | 0.39 | 21% | 0.209 | S | C | . | . | S | Bend | cis | -74.7 | 125.2 | -6.5 | 31.4 | -34.2 | 0 | 0 | 0 | 111.7 | R41 D65 | P39-R41 PolarHBondContact O-N 2.8Å; P39-D65 HydrophobicContact CB-CB 3.8Å |
| 40 | A | 98.5 | Very high | 98 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 2% | 0.017 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 125.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111 | I43 Q63 I64 L293 | A40-I43 HydrophobicContact CB-CG2 3.62Å; A40-Q63 HydrophobicContact CB-CB 3.83Å; A40-Q63 PolarHBondContact N-O 3.21Å; A40-I64 HydrophobicContact CB-CG1 4.2Å; A40-L293 CarbonylContact C-O 3.54Å; A40-L293 WeakPolarHBondContact CA-O 3.29Å |
| 41 | R | 98.3 | Very high | 98 | Very high | 23 Ų | 23 | 44.3 Ų | 44.3 | 9% | 0.087 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | -29.3 | 173.3 | -63.2 | -58 | -48.6 | -62.5 | -11.9 | 112 | P39 L175 D177 N180 C181 F182 L293 I295 | P39-R41 PolarHBondContact O-N 2.8Å; R41-L175 HydrophobicContact CB-CD1 4.47Å; R41-L175 PolarHBondContact NH1-O 3.44Å; R41-L175 PolarHBondContact NH2-O 3.38Å; R41-D177 PolarHBondContact NH2-O 2.87Å; R41-N180 PolarHBondContact NE-O 2.76Å; R41-N180 VanDerWaalsContact NE-O 3.11Å; R41-N180 PolarHBondContact NH2-O 3.03Å; R41-C181 CarbonylContact O-C 3.53Å; R41-C181 WeakPolarHBondContact O-CA 3.23Å; R41-F182 PolarHBondContact O-N 3.2Å; R41-L293 HydrophobicContact CB-CD2 4.3Å; R41-L293 PolarHBondContact N-O 2.85Å; R41-I295 HydrophobicContact CB-CD1 4.06Å; R41-I295 HydrophobicContact CB-CG1 4.09Å; R41-I295 HydrophobicContact CG-CB 3.98Å; R41-I295 HydrophobicContact CG-CD1 4.12Å; R41-I295 HydrophobicContact CG-CG1 3.89Å |
| 42 | V | 98.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 142.5 | 169.4 | -173.4 | 0 | 0 | 0 | 0 | 106.8 | L175 F182 V184 M250 S292 L293 | V42-L175 HydrophobicContact CG2-CD1 3.81Å; V42-F182 CarbonylContact C-O 3.6Å; V42-F182 VanDerWaalsContact CA-O 3.24Å; V42-F182 WeakPolarHBondContact CA-O 3.25Å; V42-F182 HydrophobicContact CB-CB 4.33Å; V42-F182 HydrophobicContact CG1-CB 4.06Å; V42-F182 HydrophobicContact CG2-CB 4.14Å; V42-V184 HydrophobicContact CG1-CG2 3.91Å; V42-M250 HydrophobicContact CB-CG 4.47Å; V42-M250 HydrophobicContact CG1-CG 3.53Å; V42-M250 HydrophobicContact CG1-SD 4.16Å; V42-M250 HydrophobicContact CG2-CE 3.76Å; V42-M250 HydrophobicContact CG2-CG 4.12Å; V42-M250 HydrophobicContact CG2-SD 4.08Å; V42-S292 CarbonylContact O-C 3.57Å; V42-S292 WeakPolarHBondContact O-CA 3.33Å; V42-L293 HydrophobicContact CB-CB 3.63Å; V42-L293 HydrophobicContact CB-CD1 4.47Å; V42-L293 HydrophobicContact CG2-CB 4Å; V42-L293 HydrophobicContact CG2-CD1 4.14Å; V42-L293 HydrophobicContact CG2-CD2 4.31Å; V42-L293 HydrophobicContact CG2-CG 4.4Å; V42-L293 PolarHBondContact N-O 3.01Å; V42-L293 PolarHBondContact O-N 3.33Å |
| 43 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 149.9 | 161.8 | 62.3 | 163.1 | 0 | 0 | 0 | 110.8 | A40 A60 Y61 I64 F182 I183 V184 G291 | A40-I43 HydrophobicContact CB-CG2 3.62Å; I43-A60 HydrophobicContact CB-CB 3.92Å; I43-A60 HydrophobicContact CD1-CB 4.06Å; I43-A60 HydrophobicContact CG2-CB 4.16Å; I43-Y61 HydrophobicContact CD1-CD1 3.99Å; I43-Y61 HydrophobicContact CD1-CD2 4.17Å; I43-Y61 HydrophobicContact CD1-CE1 3.88Å; I43-Y61 HydrophobicContact CD1-CE2 4.07Å; I43-Y61 HydrophobicContact CD1-CG 4.12Å; I43-I64 HydrophobicContact CD1-CD1 3.84Å; I43-I64 HydrophobicContact CG1-CD1 4.37Å; I43-I64 HydrophobicContact CG2-CD1 4.43Å; I43-I64 HydrophobicContact CG2-CG1 4.16Å; I43-F182 PolarHBondContact N-O 2.7Å; I43-I183 HydrophobicContact CD1-CD1 4.42Å; I43-I183 HydrophobicContact CD1-CG1 4.01Å; I43-I183 HydrophobicContact CD1-CG2 4.11Å; I43-I183 HydrophobicContact CG1-CB 4.16Å; I43-I183 HydrophobicContact CG1-CG1 3.83Å; I43-I183 HydrophobicContact CG1-CG2 4.07Å; I43-V184 WeakPolarHBondContact O-CB 3.32Å; I43-V184 PolarHBondContact O-N 3.37Å; I43-G291 CarbonylContact C-O 3.55Å; I43-G291 VanDerWaalsContact CA-O 3.24Å; I43-G291 WeakPolarHBondContact CA-O 3.37Å; I43-G291 WeakPolarHBondContact CB-O 3.27Å |
| 44 | I | 98.9 | Very high | 98 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 130.8 | 160.2 | -63.8 | 173.6 | 0 | 0 | 0 | 106.9 | A60 V184 F188 I222 I247 F267 F269 S290 G291 | I44-A60 WeakPolarHBondContact O-CB 3.22Å; I44-V184 WeakPolarHBondContact CA-O 3.38Å; I44-V184 HydrophobicContact CG1-CB 4Å; I44-V184 HydrophobicContact CG1-CG1 4.24Å; I44-F188 HydrophobicContact CG2-CE2 4.19Å; I44-I222 HydrophobicContact CD1-CG2 3.82Å; I44-I247 HydrophobicContact CD1-CD1 4.43Å; I44-I247 HydrophobicContact CD1-CG1 4.13Å; I44-F267 HydrophobicContact CB-CZ 4.08Å; I44-F267 HydrophobicContact CD1-CE1 4.22Å; I44-F267 HydrophobicContact CD1-CE2 3.95Å; I44-F267 HydrophobicContact CD1-CZ 3.49Å; I44-F267 VanDerWaalsContact CD1-CZ 3.49Å; I44-F267 HydrophobicContact CG1-CE2 3.99Å; I44-F267 HydrophobicContact CG1-CZ 3.68Å; I44-F269 HydrophobicContact CB-CE1 4.44Å; I44-F269 HydrophobicContact CD1-CE1 4.34Å; I44-F269 HydrophobicContact CD1-CZ 3.9Å; I44-F269 HydrophobicContact CG2-CE1 4.38Å; I44-S290 VanDerWaalsContact O-CA 3.29Å; I44-S290 WeakPolarHBondContact O-CA 3.37Å; I44-G291 PolarHBondContact N-O 3.19Å; I44-G291 PolarHBondContact O-N 3.14Å; I44-G291 VanDerWaalsContact O-N 3.09Å |
| 45 | S | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 141.1 | -177.8 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | A57 Y61 Q134 V184 S185 S186 | S45-A57 WeakPolarHBondContact OG-CB 3.38Å; S45-Y61 WeakPolarHBondContact OG-CE2 3.47Å; S45-Q134 PolarHBondContact OG-OE1 2.73Å; S45-V184 PolarHBondContact N-O 2.99Å; S45-S185 WeakPolarHBondContact O-CA 3.17Å; S45-S186 PolarHBondContact O-N 3.36Å |
| 46 | P | 98.9 | Very high | 98.1 | Very high | 3 Ų | 3 | 27.4 Ų | 27.4 | 2% | 0.019 | 15% | 0.153 | C | C | . | . | trans | -69.8 | 161.3 | 179.3 | 31.5 | -37 | 0 | 0 | 0 | 112.2 | C53 C56 A57 Q134 S186 D187 Y288 | P46-C53 HydrophobicContact CB-CB 3.75Å; P46-C53 HydrophobicContact CG-CB 3.6Å; P46-C56 HydrophobicContact CG-CB 4.42Å; P46-A57 HydrophobicContact CG-CB 4.09Å; P46-Q134 PolarHBondContact O-NE2 3.23Å; P46-S186 WeakPolarHBondContact CA-O 3.36Å; P46-D187 WeakPolarHBondContact CA-OD1 3.36Å; P46-D187 WeakPolarHBondContact CB-OD1 3.41Å; P46-Y288 HydrophobicContact CB-CD1 3.75Å; P46-Y288 HydrophobicContact CB-CG 4.15Å | ||
| 47 | H | 98.5 | Very high | 98.4 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | trans | -131.1 | 19.4 | -176.7 | 57.3 | -144.2 | 0 | 0 | 0 | 114.8 | S130 M133 S185 D187 C242 | H47-S130 WeakPolarHBondContact ND1-CB 3.42Å; H47-M133 HydrophobicContact CB-CB 4Å; H47-M133 VanDerWaalsContact O-CG 3.3Å; H47-M133 WeakPolarHBondContact O-CG 3.5Å; H47-S185 VanDerWaalsContact CB-OG 3.28Å; H47-S185 WeakPolarHBondContact CB-OG 3.44Å; H47-S185 PolarHBondContact ND1-OG 3.14Å; H47-D187 IonicContact CD2-OD1 2.78Å; H47-D187 PolarHBondContact CD2-OD1 3.43Å; H47-D187 IonicContact CD2-OD2 3.15Å; H47-D187 PolarHBondContact CD2-OD2 3.15Å; H47-D187 VanDerWaalsContact CD2-OD2 3.25Å; H47-D187 IonicContact CG-OD1 3.16Å; H47-D187 PolarHBondContact N-OD1 2.96Å; H47-D187 PolarHBondContact NE2-N 2.85Å; H47-D187 IonicContact NE2-OD1 2.69Å; H47-D187 IonicContact NE2-OD2 3.9Å; H47-C242 PolarHBondContact NE2-SG 3.28Å | ||
| 48 | A | 98 | Very high | 98.4 | Very high | 7 Ų | 7 | 22.5 Ų | 22.5 | 6% | 0.058 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -73.9 | 174.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | C53 M133 D187 Y288 | A48-C53 HydrophobicContact CB-CB 4.4Å; A48-C53 PolarHBondContact O-SG 3.3Å; A48-M133 VanDerWaalsContact O-CE 3.26Å; A48-M133 WeakPolarHBondContact O-CE 3.37Å; A48-D187 PolarHBondContact N-OD1 3Å; A48-Y288 HydrophobicContact CB-CD1 4.33Å; A48-Y288 HydrophobicContact CB-CE1 3.39Å; A48-Y288 WeakPolarHBondContact CB-OH 3.36Å |
| 49 | G | 98.3 | Very high | 98.5 | Very high | 7 Ų | 7 | 24.5 Ų | 24.5 | 7% | 0.072 | 13% | 0.13 | C | C | . | . | trans | -56.1 | 142.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | W14 V51 Y52 C53 | W14-G49 VanDerWaalsContact CE3-N 3.27Å; W14-G49 CarbonylContact O-C 3.53Å; W14-G49 VanDerWaalsContact O-CA 3.31Å; W14-G49 WeakPolarHBondContact O-CA 3.4Å; G49-V51 PolarHBondContact O-N 2.94Å; G49-V51 VanDerWaalsContact O-N 3.1Å; G49-Y52 WeakPolarHBondContact O-CB 3.28Å; G49-Y52 PolarHBondContact O-N 3.34Å; G49-C53 PolarHBondContact O-N 2.78Å | ||
| 50 | Y | 98.7 | Very high | 98.6 | Very high | 7 Ų | 7 | 21.6 Ų | 21.6 | 3% | 0.027 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.5 | -25 | -170.4 | -78.2 | 4.9 | 0 | 0 | 0 | 113.9 | W14 Y15 L22 L26 W29 Y52 G54 M133 P136 Y137 | W14-Y50 PolarHBondContact O-N 2.68Å; Y15-Y50 HydrophobicContact CG-CE2 4.42Å; L22-Y50 HydrophobicContact CD1-CD2 3.95Å; L22-Y50 HydrophobicContact CD1-CE2 3.99Å; L26-Y50 HydrophobicContact CD2-CD2 4.1Å; L26-Y50 HydrophobicContact CD2-CE2 3.77Å; W29-Y50 WeakPolarHBondContact CH2-O 3.44Å; W29-Y50 HydrophobicContact CZ3-CD2 4.28Å; W29-Y50 HydrophobicContact CZ3-CG 4.41Å; Y50-Y52 PolarHBondContact O-N 2.86Å; Y50-G54 VanDerWaalsContact O-CA 3.31Å; Y50-G54 WeakPolarHBondContact O-CA 3.27Å; Y50-G54 PolarHBondContact O-N 2.88Å; Y50-M133 HydrophobicContact CD1-CE 3.48Å; Y50-M133 VanDerWaalsContact CD1-CE 3.48Å; Y50-M133 HydrophobicContact CE1-CE 3.5Å; Y50-M133 VanDerWaalsContact CE1-CE 3.5Å; Y50-M133 VanDerWaalsContact CE1-O 3.31Å; Y50-M133 WeakPolarHBondContact CE1-O 3.17Å; Y50-M133 HydrophobicContact CG-CE 4.37Å; Y50-M133 PolarHBondContact OH-O 3.2Å; Y50-P136 HydrophobicContact CE2-CB 4.05Å; Y50-P136 HydrophobicContact CE2-CG 4.27Å; Y50-P136 WeakPolarHBondContact OH-CB 3.49Å; Y50-P136 WeakPolarHBondContact OH-CD 3.19Å; Y50-P136 WeakPolarHBondContact OH-CG 3.42Å; Y50-Y137 HydrophobicContact CE1-CD2 4.32Å; Y50-Y137 HydrophobicContact CE2-CD2 4.37Å; Y50-Y137 AromaticContact CZ-CD2 3.87Å |
| 51 | V | 97.4 | Very high | 98.6 | Very high | 127 Ų | 127 | 21.6 Ų | 21.6 | 77% | 0.77 | 11% | 0.11 | S | C | * | . | H | α-helix | trans | -58.8 | -29 | 171.8 | 69.8 | 0 | 0 | 0 | 0 | 112.7 | G49 | G49-V51 PolarHBondContact O-N 2.94Å; G49-V51 VanDerWaalsContact O-N 3.1Å |
| 52 | Y | 97.9 | Very high | 98.6 | Very high | 137 Ų | 137 | 23.7 Ų | 23.7 | 54% | 0.537 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -93.6 | -44.4 | -178.8 | -59.8 | -68.9 | 0 | 0 | 0 | 112.9 | G49 Y50 Y288 | G49-Y52 WeakPolarHBondContact O-CB 3.28Å; G49-Y52 PolarHBondContact O-N 3.34Å; Y50-Y52 PolarHBondContact O-N 2.86Å; Y52-Y288 WeakPolarHBondContact CB-OH 3.49Å |
| 53 | C | 98.4 | Very high | 98.6 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.007 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -129.2 | 0.8 | -167.3 | 73.9 | 0 | 0 | 0 | 0 | 114.3 | P46 A48 G49 S55 C56 A57 Y288 | P46-C53 HydrophobicContact CB-CB 3.75Å; P46-C53 HydrophobicContact CG-CB 3.6Å; A48-C53 HydrophobicContact CB-CB 4.4Å; A48-C53 PolarHBondContact O-SG 3.3Å; G49-C53 PolarHBondContact O-N 2.78Å; C53-S55 VanDerWaalsContact C-N 3.34Å; C53-S55 PolarHBondContact O-N 3.11Å; C53-C56 WeakPolarHBondContact O-CB 2.89Å; C53-C56 PolarHBondContact O-N 3Å; C53-C56 VanDerWaalsContact O-N 3.09Å; C53-A57 PolarHBondContact O-N 3.28Å; C53-Y288 HydrophobicContact CB-CD1 3.71Å; C53-Y288 HydrophobicContact CB-CD2 3.77Å; C53-Y288 HydrophobicContact CB-CE1 4.06Å; C53-Y288 HydrophobicContact CB-CE2 4.11Å; C53-Y288 HydrophobicContact CB-CG 3.55Å |
| 54 | G | 98.4 | Very high | 98.6 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.4 | -45.4 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y50 C56 A57 A58 Y137 | Y50-G54 VanDerWaalsContact O-CA 3.31Å; Y50-G54 WeakPolarHBondContact O-CA 3.27Å; Y50-G54 PolarHBondContact O-N 2.88Å; G54-C56 VanDerWaalsContact C-N 3.33Å; G54-C56 PolarHBondContact O-N 3.01Å; G54-A57 PolarHBondContact O-N 2.9Å; G54-A58 PolarHBondContact O-N 3.4Å; G54-Y137 PolarHBondContact O-OH 2.9Å |
| 55 | S | 98.6 | Very high | 98.5 | Very high | 55 Ų | 55 | 26.7 Ų | 26.7 | 39% | 0.385 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -64.9 | -33.8 | 175.6 | 58.8 | 0 | 0 | 0 | 0 | 113.6 | C53 A58 Y59 | C53-S55 VanDerWaalsContact C-N 3.34Å; C53-S55 PolarHBondContact O-N 3.11Å; S55-A58 WeakPolarHBondContact O-CB 3.33Å; S55-Y59 WeakPolarHBondContact O-CD2 3.5Å |
| 56 | C | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.2 | -45.2 | 175.5 | -175.6 | 0 | 0 | 0 | 0 | 110.8 | P46 C53 G54 A58 Y59 N271 T273 S290 | P46-C56 HydrophobicContact CG-CB 4.42Å; C53-C56 WeakPolarHBondContact O-CB 2.89Å; C53-C56 PolarHBondContact O-N 3Å; C53-C56 VanDerWaalsContact O-N 3.09Å; G54-C56 VanDerWaalsContact C-N 3.33Å; G54-C56 PolarHBondContact O-N 3.01Å; C56-A58 PolarHBondContact O-N 2.79Å; C56-Y59 WeakPolarHBondContact O-CB 3.43Å; C56-Y59 PolarHBondContact O-N 2.9Å; C56-Y59 VanDerWaalsContact O-N 3.13Å; C56-N271 PolarHBondContact SG-OD1 2.93Å; C56-N271 VanDerWaalsContact SG-OD1 3.35Å; C56-T273 HydrophobicContact CB-CG2 3.93Å; C56-S290 VanDerWaalsContact O-CB 3.23Å; C56-S290 WeakPolarHBondContact O-CB 3.17Å; C56-S290 PolarHBondContact O-OG 3.17Å |
| 57 | A | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 2% | 0.017 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.7 | -35.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S45 P46 C53 G54 Y59 A60 Y61 Y137 | S45-A57 WeakPolarHBondContact OG-CB 3.38Å; P46-A57 HydrophobicContact CG-CB 4.09Å; C53-A57 PolarHBondContact O-N 3.28Å; G54-A57 PolarHBondContact O-N 2.9Å; A57-Y59 PolarHBondContact O-N 2.76Å; A57-Y59 VanDerWaalsContact O-N 3.1Å; A57-A60 PolarHBondContact O-N 2.74Å; A57-A60 VanDerWaalsContact O-N 3.13Å; A57-Y61 HydrophobicContact CB-CD2 4.22Å; A57-Y61 HydrophobicContact CB-CE2 4.43Å; A57-Y61 WeakPolarHBondContact O-CD2 3.16Å; A57-Y61 PolarHBondContact O-N 2.95Å; A57-Y61 VanDerWaalsContact O-N 3.08Å; A57-Y137 HydrophobicContact CB-CD2 4.09Å; A57-Y137 HydrophobicContact CB-CE2 3.65Å |
| 58 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -54 | -32.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | W29 L30 V33 G54 S55 C56 A60 Y61 K62 Y137 | W29-A58 HydrophobicContact CB-CB 3.71Å; L30-A58 HydrophobicContact CD2-CB 4.25Å; V33-A58 HydrophobicContact CG2-CB 4.02Å; G54-A58 PolarHBondContact O-N 3.4Å; S55-A58 WeakPolarHBondContact O-CB 3.33Å; C56-A58 PolarHBondContact O-N 2.79Å; A58-A60 PolarHBondContact O-N 3.1Å; A58-Y61 PolarHBondContact O-N 3.28Å; A58-K62 WeakPolarHBondContact O-CB 3.39Å; A58-K62 PolarHBondContact O-N 2.98Å; A58-Y137 HydrophobicContact CB-CE1 4.33Å; A58-Y137 WeakPolarHBondContact CB-OH 3.33Å |
| 59 | Y | 98.8 | Very high | 98.2 | Very high | 76 Ų | 76 | 34.4 Ų | 34.4 | 30% | 0.298 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.1 | -42.3 | 179.7 | -79.8 | -102.5 | 0 | 0 | 0 | 112.9 | V33 S55 C56 A57 Q63 L270 N271 S290 | V33-Y59 HydrophobicContact CG1-CD1 4.04Å; V33-Y59 HydrophobicContact CG1-CG 4.15Å; V33-Y59 HydrophobicContact CG2-CD1 4.13Å; V33-Y59 HydrophobicContact CG2-CD2 3.61Å; V33-Y59 HydrophobicContact CG2-CE1 4.24Å; V33-Y59 HydrophobicContact CG2-CE2 3.73Å; V33-Y59 HydrophobicContact CG2-CG 3.81Å; S55-Y59 WeakPolarHBondContact O-CD2 3.5Å; C56-Y59 WeakPolarHBondContact O-CB 3.43Å; C56-Y59 PolarHBondContact O-N 2.9Å; C56-Y59 VanDerWaalsContact O-N 3.13Å; A57-Y59 PolarHBondContact O-N 2.76Å; A57-Y59 VanDerWaalsContact O-N 3.1Å; Y59-Q63 WeakPolarHBondContact O-CG 3.23Å; Y59-Q63 PolarHBondContact O-NE2 3.13Å; Y59-L270 HydrophobicContact CD1-CB 4.17Å; Y59-L270 WeakPolarHBondContact CD1-O 3.49Å; Y59-L270 WeakPolarHBondContact O-CD1 3.31Å; Y59-N271 HydrophobicContact CD1-CB 3.93Å; Y59-N271 HydrophobicContact CD2-CB 3.6Å; Y59-N271 HydrophobicContact CE1-CB 4.34Å; Y59-N271 HydrophobicContact CE2-CB 4.06Å; Y59-N271 WeakPolarHBondContact CE2-ND2 3.39Å; Y59-N271 HydrophobicContact CG-CB 3.53Å; Y59-S290 WeakPolarHBondContact CB-OG 3.43Å |
| 60 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -72.3 | -51.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I43 I44 A57 A58 K62 Q63 | I43-A60 HydrophobicContact CB-CB 3.92Å; I43-A60 HydrophobicContact CD1-CB 4.06Å; I43-A60 HydrophobicContact CG2-CB 4.16Å; I44-A60 WeakPolarHBondContact O-CB 3.22Å; A57-A60 PolarHBondContact O-N 2.74Å; A57-A60 VanDerWaalsContact O-N 3.13Å; A58-A60 PolarHBondContact O-N 3.1Å; A60-K62 VanDerWaalsContact C-N 3.26Å; A60-K62 PolarHBondContact O-N 3.36Å; A60-Q63 WeakPolarHBondContact O-CB 3.39Å; A60-Q63 PolarHBondContact O-N 3.2Å |
| 61 | Y | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.4 | -32.6 | -176 | -87.4 | -73.9 | 0 | 0 | 0 | 113.4 | I43 S45 A57 A58 Q63 I64 Q134 Y137 V138 V141 I183 | I43-Y61 HydrophobicContact CD1-CD1 3.99Å; I43-Y61 HydrophobicContact CD1-CD2 4.17Å; I43-Y61 HydrophobicContact CD1-CE1 3.88Å; I43-Y61 HydrophobicContact CD1-CE2 4.07Å; I43-Y61 HydrophobicContact CD1-CG 4.12Å; S45-Y61 WeakPolarHBondContact OG-CE2 3.47Å; A57-Y61 HydrophobicContact CB-CD2 4.22Å; A57-Y61 HydrophobicContact CB-CE2 4.43Å; A57-Y61 WeakPolarHBondContact O-CD2 3.16Å; A57-Y61 PolarHBondContact O-N 2.95Å; A57-Y61 VanDerWaalsContact O-N 3.08Å; A58-Y61 PolarHBondContact O-N 3.28Å; Y61-Q63 PolarHBondContact O-N 2.67Å; Y61-I64 HydrophobicContact CD1-CD1 3.89Å; Y61-I64 HydrophobicContact CE1-CD1 4.26Å; Y61-I64 WeakPolarHBondContact O-CB 3.35Å; Y61-I64 PolarHBondContact O-N 2.87Å; Y61-Q134 WeakPolarHBondContact OH-CA 3.34Å; Y61-Q134 WeakPolarHBondContact OH-CB 3.21Å; Y61-Q134 PolarHBondContact OH-O 2.65Å; Y61-Q134 PolarHBondContact OH-OE1 3.04Å; Y61-Y137 HydrophobicContact CD1-CD1 4.41Å; Y61-Y137 HydrophobicContact CD1-CG 4.38Å; Y61-Y137 AromaticContact CD2-CD1 3.79Å; Y61-Y137 HydrophobicContact CD2-CD1 3.79Å; Y61-Y137 AromaticContact CD2-CD2 4Å; Y61-Y137 HydrophobicContact CD2-CD2 4Å; Y61-Y137 HydrophobicContact CD2-CE1 4.45Å; Y61-Y137 AromaticContact CD2-CG 3.54Å; Y61-Y137 HydrophobicContact CD2-CG 3.54Å; Y61-Y137 VanDerWaalsContact CE2-CB 3.43Å; Y61-Y137 HydrophobicContact CE2-CD1 4.45Å; Y61-Y137 HydrophobicContact CE2-CD2 4.04Å; Y61-Y137 AromaticContact CE2-CG 3.75Å; Y61-Y137 HydrophobicContact CE2-CG 3.75Å; Y61-Y137 AromaticContact CG-CD1 3.78Å; Y61-Y137 HydrophobicContact CG-CD1 3.78Å; Y61-Y137 AromaticContact CG-CG 3.89Å; Y61-Y137 HydrophobicContact CG-CG 3.89Å; Y61-Y137 VanDerWaalsContact CZ-CB 3.44Å; Y61-V138 HydrophobicContact CE1-CG2 3.97Å; Y61-V141 HydrophobicContact CD1-CG2 4.1Å; Y61-V141 HydrophobicContact CG-CG2 4.44Å; Y61-I183 HydrophobicContact CE1-CD1 3.8Å |
| 62 | K | 98.7 | Very high | 98.3 | Very high | 67 Ų | 67 | 32.4 Ų | 32.4 | 29% | 0.291 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -21 | 177 | -171.8 | 57 | 170 | -160.3 | 0 | 113.6 | L30 V33 V35 A58 A60 | L30-K62 HydrophobicContact CD2-CB 4.23Å; L30-K62 HydrophobicContact CD2-CD 4.46Å; L30-K62 WeakPolarHBondContact O-CD 3.46Å; L30-K62 WeakPolarHBondContact O-CE 3.2Å; L30-K62 PolarHBondContact O-NZ 3.31Å; V33-K62 HydrophobicContact CB-CB 4.13Å; V33-K62 HydrophobicContact CB-CG 4.04Å; V33-K62 HydrophobicContact CG1-CB 3.57Å; V33-K62 HydrophobicContact CG1-CG 3.68Å; V35-K62 HydrophobicContact CG2-CD 4.22Å; V35-K62 HydrophobicContact CG2-CG 3.95Å; A58-K62 WeakPolarHBondContact O-CB 3.39Å; A58-K62 PolarHBondContact O-N 2.98Å; A60-K62 VanDerWaalsContact C-N 3.26Å; A60-K62 PolarHBondContact O-N 3.36Å |
| 63 | Q | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -12.1 | -179.9 | -50.6 | -41.5 | -48.9 | 0 | 0 | 113.6 | K34 H37 S38 A40 Y59 A60 Y61 D65 L270 | K34-Q63 PolarHBondContact O-NE2 3.2Å; H37-Q63 VanDerWaalsContact N-OE1 3.08Å; H37-Q63 WeakPolarHBondContact O-CB 3.37Å; S38-Q63 VanDerWaalsContact CB-O 3.27Å; S38-Q63 WeakPolarHBondContact CB-O 3.23Å; S38-Q63 PolarHBondContact OG-O 3.02Å; A40-Q63 HydrophobicContact CB-CB 3.83Å; A40-Q63 PolarHBondContact N-O 3.21Å; Y59-Q63 WeakPolarHBondContact O-CG 3.23Å; Y59-Q63 PolarHBondContact O-NE2 3.13Å; A60-Q63 WeakPolarHBondContact O-CB 3.39Å; A60-Q63 PolarHBondContact O-N 3.2Å; Y61-Q63 PolarHBondContact O-N 2.67Å; Q63-D65 PolarHBondContact O-N 3.47Å; Q63-L270 HydrophobicContact CG-CD1 3.42Å; Q63-L270 VanDerWaalsContact CG-CD1 3.42Å |
| 64 | I | 98.7 | Very high | 98.3 | Very high | 11 Ų | 11 | 25.9 Ų | 25.9 | 6% | 0.056 | 14% | 0.141 | C | C | . | . | trans | -71.5 | 124.6 | 176 | -67.3 | -179.1 | 0 | 0 | 0 | 108.5 | A40 I43 Y61 P66 I69 V141 M142 | A40-I64 HydrophobicContact CB-CG1 4.2Å; I43-I64 HydrophobicContact CD1-CD1 3.84Å; I43-I64 HydrophobicContact CG1-CD1 4.37Å; I43-I64 HydrophobicContact CG2-CD1 4.43Å; I43-I64 HydrophobicContact CG2-CG1 4.16Å; Y61-I64 HydrophobicContact CD1-CD1 3.89Å; Y61-I64 HydrophobicContact CE1-CD1 4.26Å; Y61-I64 WeakPolarHBondContact O-CB 3.35Å; Y61-I64 PolarHBondContact O-N 2.87Å; I64-P66 WeakPolarHBondContact O-CD 3.28Å; I64-I69 HydrophobicContact CG2-CD1 3.35Å; I64-V141 HydrophobicContact CB-CG1 3.93Å; I64-V141 HydrophobicContact CG2-CG1 3.78Å; I64-M142 HydrophobicContact CG2-SD 4.31Å | ||
| 65 | D | 98.1 | Very high | 98.4 | Very high | 58 Ų | 58 | 25.9 Ų | 25.9 | 31% | 0.31 | 14% | 0.141 | S | C | . | . | trans | -95 | 104.6 | 169.7 | -179.8 | -4.3 | 0 | 0 | 0 | 109.1 | P39 Q63 S67 T68 I69 | P39-D65 HydrophobicContact CB-CB 3.8Å; Q63-D65 PolarHBondContact O-N 3.47Å; D65-S67 VanDerWaalsContact CG-OG 3.22Å; D65-S67 PolarHBondContact O-N 3.01Å; D65-S67 WeakPolarHBondContact OD1-CB 3.46Å; D65-S67 PolarHBondContact OD1-N 3.12Å; D65-S67 PolarHBondContact OD1-OG 3.32Å; D65-S67 PolarHBondContact OD2-OG 2.95Å; D65-T68 PolarHBondContact O-OG1 2.97Å; D65-I69 WeakPolarHBondContact O-CD1 3.28Å | ||
| 66 | P | 98.3 | Very high | 98.4 | Very high | 26 Ų | 26 | 23.2 Ų | 23.2 | 17% | 0.169 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -62.2 | -28.6 | -175.6 | 25.8 | -34.7 | 0 | 0 | 0 | 112.4 | I64 T68 I69 M142 R145 | I64-P66 WeakPolarHBondContact O-CD 3.28Å; P66-T68 PolarHBondContact O-N 2.73Å; P66-I69 PolarHBondContact O-N 3.36Å; P66-I69 VanDerWaalsContact O-N 3.1Å; P66-M142 HydrophobicContact CB-CE 3.96Å; P66-M142 HydrophobicContact CB-SD 3.6Å; P66-R145 WeakPolarHBondContact O-CD 3.17Å; P66-R145 PolarHBondContact O-NH1 2.71Å |
| 67 | S | 97.7 | Very high | 98.4 | Very high | 82 Ų | 82 | 23.6 Ų | 23.6 | 57% | 0.573 | 13% | 0.125 | S | C | * | . | G | 310 helix | trans | -60.9 | -19.1 | -171.6 | 69.9 | 0 | 0 | 0 | 0 | 114.3 | D65 | D65-S67 VanDerWaalsContact CG-OG 3.22Å; D65-S67 PolarHBondContact O-N 3.01Å; D65-S67 WeakPolarHBondContact OD1-CB 3.46Å; D65-S67 PolarHBondContact OD1-N 3.12Å; D65-S67 PolarHBondContact OD1-OG 3.32Å; D65-S67 PolarHBondContact OD2-OG 2.95Å |
| 68 | T | 91.8 | Very high | 98.3 | Very high | 62 Ų | 62 | 24.9 Ų | 24.9 | 38% | 0.38 | 13% | 0.134 | S | C | . | . | G | 310 helix | trans | -106 | -11.1 | -177.5 | 61.7 | 0 | 0 | 0 | 0 | 113.9 | D65 P66 R179 | D65-T68 PolarHBondContact O-OG1 2.97Å; P66-T68 PolarHBondContact O-N 2.73Å; T68-R179 VanDerWaalsContact O-CA 3.28Å; T68-R179 WeakPolarHBondContact O-CA 3.31Å |
| 69 | I | 98.5 | Very high | 98.2 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.015 | 15% | 0.15 | C | C | . | . | trans | -102.5 | 112.7 | -164.1 | -64 | 166.9 | 0 | 0 | 0 | 112.6 | I64 D65 P66 I72 M142 R145 R179 C181 | I64-I69 HydrophobicContact CG2-CD1 3.35Å; D65-I69 WeakPolarHBondContact O-CD1 3.28Å; P66-I69 PolarHBondContact O-N 3.36Å; P66-I69 VanDerWaalsContact O-N 3.1Å; I69-I72 HydrophobicContact CG2-CD1 4.12Å; I69-I72 HydrophobicContact CG2-CG1 3.53Å; I69-M142 HydrophobicContact CB-CE 3.9Å; I69-M142 HydrophobicContact CG2-CE 4.03Å; I69-M142 WeakPolarHBondContact O-CE 3.2Å; I69-R145 PolarHBondContact O-NH1 3.39Å; I69-R179 CarbonylContact C-O 3.57Å; I69-R179 WeakPolarHBondContact CA-O 2.78Å; I69-C181 HydrophobicContact CD1-CB 3.67Å; I69-C181 HydrophobicContact CG1-CB 4.04Å; I69-C181 HydrophobicContact CG2-CB 3.97Å | ||
| 70 | D | 98.7 | Very high | 97.9 | Very high | 53 Ų | 53 | 29.7 Ų | 29.7 | 28% | 0.283 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -95 | -20.7 | 175.4 | -64.5 | -12.9 | 0 | 0 | 0 | 112.2 | R145 F149 T150 R179 | D70-R145 IonicContact OD1-CZ 3.77Å; D70-R145 VanDerWaalsContact OD1-CZ 3.3Å; D70-R145 IonicContact OD1-NH1 3.97Å; D70-R145 PolarHBondContact OD1-NH1 3.29Å; D70-R145 IonicContact OD1-NH2 3.33Å; D70-R145 PolarHBondContact OD1-NH2 3.06Å; D70-F149 CarbonylContact O-C 3.59Å; D70-F149 VanDerWaalsContact O-CA 3.27Å; D70-F149 WeakPolarHBondContact O-CA 3.39Å; D70-T150 PolarHBondContact O-N 3.41Å; D70-T150 PolarHBondContact O-OG1 2.77Å; D70-R179 HydrophobicContact CB-CB 4.19Å; D70-R179 PolarHBondContact N-O 3.35Å; D70-R179 WeakPolarHBondContact OD2-CD 3.37Å; D70-R179 IonicContact OD2-NH1 2.96Å |
| 71 | R | 98.9 | Very high | 97.7 | Very high | 46 Ų | 46 | 32.4 Ų | 32.4 | 17% | 0.174 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 133.7 | -175.1 | -176.6 | -175 | -62.7 | 126.2 | -12.3 | 112.6 | F73 D104 T107 T150 V152 R179 N180 C181 | R71-F73 VanDerWaalsContact CD-CZ 3.48Å; R71-F73 HydrophobicContact CG-CD2 4.26Å; R71-F73 HydrophobicContact CG-CE2 3.82Å; R71-F73 HydrophobicContact CG-CZ 4.32Å; R71-D104 IonicContact CZ-OD2 3.82Å; R71-D104 IonicContact NE-OD2 2.74Å; R71-D104 PolarHBondContact NE-OD2 3.23Å; R71-D104 IonicContact NH2-OD2 3.62Å; R71-D104 PolarHBondContact NH2-OD2 2.84Å; R71-T107 PolarHBondContact NE-OG1 3.43Å; R71-T107 PolarHBondContact NH2-OG1 2.85Å; R71-T150 CarbonylContact C-O 3.44Å; R71-T150 WeakPolarHBondContact CA-O 3.4Å; R71-V152 HydrophobicContact CG-CG2 3.89Å; R71-R179 PolarHBondContact N-O 3.46Å; R71-N180 WeakPolarHBondContact CB-OD1 3.28Å; R71-N180 PolarHBondContact NH1-OD1 3.37Å; R71-N180 WeakPolarHBondContact O-CA 3.49Å; R71-C181 PolarHBondContact O-N 3.31Å |
| 72 | I | 99 | Very high | 97.5 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 114.8 | 179 | -61.1 | 176.2 | 0 | 0 | 0 | 110 | I69 I74 V138 M142 F149 T150 I151 V152 C181 I183 | I69-I72 HydrophobicContact CG2-CD1 4.12Å; I69-I72 HydrophobicContact CG2-CG1 3.53Å; I72-I74 HydrophobicContact CG2-CG1 3.99Å; I72-V138 HydrophobicContact CD1-CG1 3.83Å; I72-V138 HydrophobicContact CG2-CG2 4.45Å; I72-M142 HydrophobicContact CD1-CE 4.41Å; I72-M142 HydrophobicContact CD1-CG 3.6Å; I72-M142 HydrophobicContact CD1-SD 3.94Å; I72-F149 HydrophobicContact CD1-CD2 4Å; I72-F149 HydrophobicContact CD1-CE2 4.03Å; I72-F149 HydrophobicContact CG1-CD2 4.41Å; I72-T150 PolarHBondContact N-O 2.6Å; I72-I151 HydrophobicContact CB-CG2 4.35Å; I72-I151 CarbonylContact O-C 3.58Å; I72-I151 VanDerWaalsContact O-CA 3.23Å; I72-I151 WeakPolarHBondContact O-CA 3.45Å; I72-V152 PolarHBondContact O-N 2.86Å; I72-C181 CarbonylContact C-O 3.58Å; I72-C181 WeakPolarHBondContact CA-O 3.31Å; I72-C181 HydrophobicContact CG1-CB 4.4Å; I72-I183 HydrophobicContact CG2-CD1 3.48Å; I72-I183 VanDerWaalsContact CG2-CD1 3.48Å; I72-I183 HydrophobicContact CG2-CG1 3.82Å |
| 73 | F | 99 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 130.7 | 170.5 | -66.8 | -99.7 | 0 | 0 | 0 | 109.4 | R71 L75 T107 L111 V152 I154 F171 Y174 N180 C181 F182 I183 | R71-F73 VanDerWaalsContact CD-CZ 3.48Å; R71-F73 HydrophobicContact CG-CD2 4.26Å; R71-F73 HydrophobicContact CG-CE2 3.82Å; R71-F73 HydrophobicContact CG-CZ 4.32Å; F73-L75 HydrophobicContact CB-CD1 3.87Å; F73-T107 HydrophobicContact CE1-CG2 3.7Å; F73-T107 HydrophobicContact CZ-CG2 3.72Å; F73-L111 HydrophobicContact CE1-CD1 4.41Å; F73-V152 WeakPolarHBondContact CA-O 3.42Å; F73-V152 HydrophobicContact CD1-CB 3.6Å; F73-V152 HydrophobicContact CD1-CG1 3.71Å; F73-V152 HydrophobicContact CD1-CG2 4.12Å; F73-V152 HydrophobicContact CE1-CB 3.87Å; F73-V152 HydrophobicContact CE1-CG1 3.8Å; F73-V152 HydrophobicContact CE1-CG2 3.95Å; F73-V152 HydrophobicContact CG-CB 4.12Å; F73-V152 HydrophobicContact CZ-CG2 4.25Å; F73-I154 HydrophobicContact CD1-CD1 4.06Å; F73-F171 HydrophobicContact CD1-CE1 4.41Å; F73-Y174 HydrophobicContact CE1-CD1 4.3Å; F73-Y174 HydrophobicContact CE1-CG 4.17Å; F73-Y174 HydrophobicContact CE2-CD1 4.23Å; F73-Y174 HydrophobicContact CE2-CG 4.28Å; F73-Y174 AromaticContact CZ-CD1 3.47Å; F73-Y174 HydrophobicContact CZ-CD1 3.47Å; F73-Y174 VanDerWaalsContact CZ-CD1 3.47Å; F73-Y174 HydrophobicContact CZ-CD2 4.34Å; F73-Y174 HydrophobicContact CZ-CE1 4.14Å; F73-Y174 AromaticContact CZ-CG 3.59Å; F73-Y174 HydrophobicContact CZ-CG 3.59Å; F73-N180 HydrophobicContact CD2-CB 4.4Å; F73-N180 HydrophobicContact CE2-CB 4.04Å; F73-C181 PolarHBondContact N-O 2.79Å; F73-F182 HydrophobicContact CB-CD1 3.46Å; F73-F182 VanDerWaalsContact CB-CD1 3.46Å; F73-F182 HydrophobicContact CB-CE1 3.54Å; F73-F182 HydrophobicContact CB-CG 4.03Å; F73-F182 HydrophobicContact CB-CZ 4.17Å; F73-F182 AromaticContact CD1-CE1 4Å; F73-F182 HydrophobicContact CD1-CE1 4Å; F73-F182 HydrophobicContact CD1-CZ 4.27Å; F73-F182 HydrophobicContact CD2-CD1 4.38Å; F73-F182 HydrophobicContact CD2-CD2 4.38Å; F73-F182 AromaticContact CD2-CE1 3.9Å; F73-F182 HydrophobicContact CD2-CE1 3.9Å; F73-F182 AromaticContact CD2-CE2 3.89Å; F73-F182 HydrophobicContact CD2-CE2 3.89Å; F73-F182 AromaticContact CD2-CZ 3.62Å; F73-F182 HydrophobicContact CD2-CZ 3.62Å; F73-F182 HydrophobicContact CE2-CE2 4.35Å; F73-F182 HydrophobicContact CE2-CZ 4.04Å; F73-F182 AromaticContact CG-CD1 3.99Å; F73-F182 HydrophobicContact CG-CD1 3.99Å; F73-F182 AromaticContact CG-CE1 3.54Å; F73-F182 HydrophobicContact CG-CE1 3.54Å; F73-F182 HydrophobicContact CG-CE2 4.39Å; F73-F182 AromaticContact CG-CZ 3.76Å; F73-F182 HydrophobicContact CG-CZ 3.76Å; F73-F182 CarbonylContact O-C 3.47Å; F73-F182 WeakPolarHBondContact O-CA 3.48Å; F73-I183 PolarHBondContact O-N 2.89Å |
| 74 | I | 99 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 106.9 | 179.4 | -50 | 175.7 | 0 | 0 | 0 | 108 | I72 I131 Q134 L135 V138 I151 V152 I154 I183 | I72-I74 HydrophobicContact CG2-CG1 3.99Å; I74-I131 HydrophobicContact CB-CG2 4.47Å; I74-I131 HydrophobicContact CG2-CG2 4.05Å; I74-Q134 HydrophobicContact CG2-CB 4Å; I74-Q134 HydrophobicContact CG2-CG 4.04Å; I74-L135 HydrophobicContact CD1-CD2 3.64Å; I74-V138 HydrophobicContact CD1-CG2 4.27Å; I74-I151 HydrophobicContact CD1-CB 4.41Å; I74-I151 HydrophobicContact CD1-CG2 4.38Å; I74-V152 PolarHBondContact N-O 3.22Å; I74-I154 PolarHBondContact O-N 2.98Å; I74-I183 WeakPolarHBondContact CA-O 3.32Å; I74-I183 HydrophobicContact CG1-CB 4.48Å; I74-I183 HydrophobicContact CG1-CD1 4.42Å; I74-I183 HydrophobicContact CG2-CB 4.46Å |
| 75 | L | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 108.6 | -177.9 | -77.5 | 62.4 | 0 | 0 | 0 | 108.7 | F73 I154 V156 F171 F182 I183 S185 P246 V249 | F73-L75 HydrophobicContact CB-CD1 3.87Å; L75-I154 WeakPolarHBondContact CA-O 3.5Å; L75-I154 HydrophobicContact CD1-CB 4.45Å; L75-I154 HydrophobicContact CD1-CD1 4.36Å; L75-I154 HydrophobicContact CG-CB 4.37Å; L75-V156 HydrophobicContact CB-CG2 4.1Å; L75-V156 HydrophobicContact CG-CG2 4.25Å; L75-F171 HydrophobicContact CD2-CE2 4.27Å; L75-F182 HydrophobicContact CD1-CD1 3.95Å; L75-F182 HydrophobicContact CD1-CE1 4.38Å; L75-I183 PolarHBondContact N-O 2.95Å; L75-S185 WeakPolarHBondContact O-CB 3.47Å; L75-S185 PolarHBondContact O-N 3.36Å; L75-P246 HydrophobicContact CB-CB 4.16Å; L75-V249 HydrophobicContact CD2-CG1 4.23Å |
| 76 | G | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 145.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I154 L155 V156 | G76-I154 PolarHBondContact N-O 3.4Å; G76-L155 CarbonylContact O-C 3.44Å; G76-V156 PolarHBondContact O-N 3.14Å |
| 77 | P | 98.5 | Very high | 97.2 | Very high | 8 Ų | 8 | 37.1 Ų | 37.1 | 5% | 0.052 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 157.1 | 173.9 | 30.4 | -36 | 0 | 0 | 0 | 111.9 | E128 S130 L155 V156 S185 P246 | P77-E128 VanDerWaalsContact O-CD 3.24Å; P77-S130 PolarHBondContact O-OG 3.04Å; P77-S130 VanDerWaalsContact O-OG 3.13Å; P77-L155 WeakPolarHBondContact O-CD1 3.06Å; P77-V156 CarbonylContact C-O 3.39Å; P77-V156 WeakPolarHBondContact CA-O 3.47Å; P77-S185 VanDerWaalsContact CD-O 3.29Å; P77-S185 WeakPolarHBondContact CD-O 3.4Å; P77-P246 HydrophobicContact CB-CG 4.36Å |
| 78 | S | 97.9 | Very high | 97.3 | Very high | 28 Ų | 28 | 33.4 Ų | 33.4 | 20% | 0.196 | 19% | 0.186 | C | C | . | . | trans | -87.5 | 112.9 | 174.4 | -175 | 0 | 0 | 0 | 0 | 112.4 | V81 V156 | S78-V81 VanDerWaalsContact OG-CG2 3.23Å; S78-V81 WeakPolarHBondContact OG-CG2 3.5Å; S78-V81 PolarHBondContact OG-O 2.9Å; S78-V156 PolarHBondContact N-O 2.9Å | ||
| 79 | H | 95.7 | Very high | 97.6 | Very high | 75 Ų | 75 | 30.8 Ų | 30.8 | 35% | 0.347 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -95.7 | -31.5 | 176.6 | -66.5 | 101.4 | 0 | 0 | 0 | 113.9 | E128 H129 C242 | H79-E128 WeakPolarHBondContact CB-OE2 3.3Å; H79-E128 IonicContact CE1-OE1 3.12Å; H79-E128 IonicContact CG-OE1 3.14Å; H79-E128 IonicContact CG-OE2 3.41Å; H79-E128 PolarHBondContact N-OE2 3.47Å; H79-E128 IonicContact ND1-OE1 2.64Å; H79-E128 PolarHBondContact ND1-OE1 2.8Å; H79-E128 IonicContact ND1-OE2 3.62Å; H79-E128 PolarHBondContact ND1-OE2 3Å; H79-H129 AromaticContact CD2-CE1 3.94Å; H79-H129 AromaticContact CE1-CE1 3.39Å; H79-H129 PolarHBondContact CE1-CE1 3.21Å; H79-H129 AromaticContact CE1-NE2 3.7Å; H79-H129 AromaticContact CG-CE1 3.68Å; H79-H129 AromaticContact ND1-CE1 3.35Å; H79-H129 PolarHBondContact ND1-CE1 2.9Å; H79-H129 AromaticContact ND1-ND1 3.89Å; H79-H129 AromaticContact NE2-CE1 3.76Å; H79-C242 PolarHBondContact NE2-SG 2.92Å |
| 80 | H | 93.2 | Very high | 97.6 | Very high | 103 Ų | 103 | 34.5 Ų | 34.5 | 48% | 0.477 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -100.9 | -16.2 | -168.2 | -64.4 | -81.7 | 0 | 0 | 0 | 114.2 | A127 E128 | H80-A127 HydrophobicContact CB-CB 4.45Å; H80-A127 PolarHBondContact CD2-O 2.84Å; H80-A127 PolarHBondContact NE2-O 3.31Å; H80-E128 IonicContact CD2-OE2 3.76Å |
| 81 | V | 95 | Very high | 97.6 | Very high | 57 Ų | 57 | 33.2 Ų | 33.2 | 35% | 0.345 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -135.8 | 146 | -178.1 | -61.8 | 0 | 0 | 0 | 0 | 111.8 | S78 L83 T124 L155 | S78-V81 VanDerWaalsContact OG-CG2 3.23Å; S78-V81 WeakPolarHBondContact OG-CG2 3.5Å; S78-V81 PolarHBondContact OG-O 2.9Å; V81-L83 HydrophobicContact CG2-CB 4.37Å; V81-L83 PolarHBondContact O-N 2.95Å; V81-T124 HydrophobicContact CB-CG2 4.38Å; V81-T124 HydrophobicContact CG1-CG2 3.71Å; V81-T124 WeakPolarHBondContact CG1-OG1 3.42Å; V81-T124 HydrophobicContact CG2-CG2 3.7Å; V81-L155 HydrophobicContact CG2-CD2 4.17Å |
| 82 | C | 93.9 | Very high | 97.5 | Very high | 136 Ų | 136 | 33.1 Ų | 33.1 | 92% | 0.919 | 18% | 0.18 | S | C | * | . | trans | -73.8 | 105.2 | 166.7 | -68.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 83 | L | 96.4 | Very high | 97.5 | Very high | 14 Ų | 14 | 33 Ų | 33 | 7% | 0.073 | 18% | 0.18 | C | C | . | . | trans | -119.3 | 132.9 | 178.6 | 178.4 | 65.2 | 0 | 0 | 0 | 108.4 | V81 G85 A87 E118 L155 G157 S158 | V81-L83 HydrophobicContact CG2-CB 4.37Å; V81-L83 PolarHBondContact O-N 2.95Å; L83-G85 WeakPolarHBondContact CD2-O 3.42Å; L83-G85 WeakPolarHBondContact CG-O 3.37Å; L83-A87 HydrophobicContact CD1-CB 4.44Å; L83-A87 HydrophobicContact CD2-CB 3.94Å; L83-E118 WeakPolarHBondContact CD1-OE1 3.12Å; L83-L155 HydrophobicContact CD2-CB 4.34Å; L83-L155 HydrophobicContact CD2-CD2 4.1Å; L83-L155 HydrophobicContact CD2-CG 4.04Å; L83-G157 CarbonylContact O-C 3.55Å; L83-G157 WeakPolarHBondContact O-CA 3.29Å; L83-S158 PolarHBondContact O-N 3.46Å | ||
| 84 | N | 95.7 | Very high | 97.5 | Very high | 107 Ų | 107 | 33 Ų | 33 | 57% | 0.572 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -109.6 | 21.9 | 178.6 | -67.2 | -38.9 | 0 | 0 | 0 | 112.2 | R163 | N84-R163 VanDerWaalsContact O-CD 3.29Å; N84-R163 WeakPolarHBondContact O-CD 3.37Å; N84-R163 PolarHBondContact O-NH1 3.33Å |
| 85 | G | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -155.2 | -160.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L83 G157 Y167 | L83-G85 WeakPolarHBondContact CD2-O 3.42Å; L83-G85 WeakPolarHBondContact CG-O 3.37Å; G85-G157 WeakPolarHBondContact O-CA 3.32Å; G85-G157 PolarHBondContact O-N 3.44Å; G85-Y167 WeakPolarHBondContact CA-OH 3.37Å |
| 86 | C | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 139.2 | 170.7 | -65.3 | 0 | 0 | 0 | 0 | 109.7 | F117 E118 I154 L155 Y167 | C86-F117 HydrophobicContact CB-CD1 3.61Å; C86-F117 HydrophobicContact CB-CE1 3.48Å; C86-F117 VanDerWaalsContact CB-CE1 3.48Å; C86-F117 HydrophobicContact CB-CZ 4.41Å; C86-F117 WeakPolarHBondContact O-CA 3.34Å; C86-E118 PolarHBondContact O-N 2.97Å; C86-I154 HydrophobicContact CB-CG2 3.82Å; C86-L155 CarbonylContact C-O 3.56Å; C86-L155 WeakPolarHBondContact CA-O 3.23Å; C86-Y167 HydrophobicContact CB-CD1 4.08Å; C86-Y167 HydrophobicContact CB-CE1 3.63Å; C86-Y167 HydrophobicContact CB-CE2 4.4Å; C86-Y167 PolarHBondContact N-OH 2.7Å |
| 87 | A | 98.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 3% | 0.033 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 138.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | L83 E118 M120 L155 | L83-A87 HydrophobicContact CD1-CB 4.44Å; L83-A87 HydrophobicContact CD2-CB 3.94Å; A87-E118 CarbonylContact C-O 3.44Å; A87-E118 VanDerWaalsContact CA-O 3.28Å; A87-E118 WeakPolarHBondContact CA-O 3.2Å; A87-E118 HydrophobicContact CB-CB 4.23Å; A87-M120 HydrophobicContact CB-CG 3.73Å; A87-L155 HydrophobicContact CB-CB 4.27Å; A87-L155 PolarHBondContact N-O 2.92Å; A87-L155 PolarHBondContact O-N 3.31Å |
| 88 | L | 98.8 | Very high | 97.5 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 152.5 | 180 | -55.7 | 173.6 | 0 | 0 | 0 | 111.1 | N108 L111 W112 F117 E118 T119 M120 I154 | L88-N108 HydrophobicContact CD1-CB 4.35Å; L88-N108 VanDerWaalsContact CD1-O 3.28Å; L88-N108 WeakPolarHBondContact CD1-O 3.48Å; L88-L111 HydrophobicContact CD1-CB 3.93Å; L88-L111 HydrophobicContact CD2-CB 4.11Å; L88-L111 HydrophobicContact CD2-CD1 3.7Å; L88-W112 HydrophobicContact CD1-CB 4.21Å; L88-F117 HydrophobicContact CD1-CB 3.94Å; L88-F117 HydrophobicContact CD1-CD1 4.47Å; L88-F117 HydrophobicContact CD1-CG 4.3Å; L88-F117 HydrophobicContact CD2-CD1 3.63Å; L88-F117 HydrophobicContact CD2-CE1 4.09Å; L88-F117 HydrophobicContact CD2-CG 4.25Å; L88-F117 HydrophobicContact CG-CB 3.97Å; L88-F117 HydrophobicContact CG-CD1 3.9Å; L88-F117 HydrophobicContact CG-CG 4.18Å; L88-E118 PolarHBondContact N-O 3.09Å; L88-T119 CarbonylContact O-C 3.47Å; L88-T119 WeakPolarHBondContact O-CA 3.47Å; L88-M120 PolarHBondContact O-N 2.95Å; L88-I154 HydrophobicContact CD2-CG1 4.25Å |
| 89 | S | 98.4 | Very high | 97.5 | Very high | 6 Ų | 6 | 36.2 Ų | 36.2 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | trans | -70.4 | 147 | 173.1 | -168.6 | 0 | 0 | 0 | 0 | 112.8 | Y91 Y94 D125 | S89-Y91 PolarHBondContact OG-N 2.83Å; S89-Y91 VanDerWaalsContact OG-N 3.09Å; S89-Y94 WeakPolarHBondContact CB-OH 3.34Å; S89-Y94 VanDerWaalsContact OG-CE2 3.31Å; S89-Y94 WeakPolarHBondContact OG-CE2 3.26Å; S89-Y94 PolarHBondContact OG-OH 2.76Å; S89-D125 WeakPolarHBondContact CB-OD2 3.32Å; S89-D125 PolarHBondContact OG-OD2 3Å | ||
| 90 | K | 97.7 | Very high | 97.6 | Very high | 82 Ų | 82 | 36.2 Ų | 36.2 | 36% | 0.357 | 20% | 0.199 | S | C | . | . | trans | -94.3 | -8.8 | 168.7 | -67.3 | -180 | -175 | 169.9 | 0 | 112.7 | T119 M120 E121 L122 | K90-T119 VanDerWaalsContact CE-CB 3.48Å; K90-T119 WeakPolarHBondContact CE-OG1 3.33Å; K90-M120 VanDerWaalsContact CD-O 3.24Å; K90-M120 WeakPolarHBondContact CD-O 3.35Å; K90-M120 WeakPolarHBondContact CE-O 3.11Å; K90-M120 WeakPolarHBondContact CG-O 3.35Å; K90-E121 IonicContact NZ-OE1 3.75Å; K90-E121 PolarHBondContact NZ-OE1 3.34Å; K90-E121 IonicContact NZ-OE2 2.72Å; K90-L122 HydrophobicContact CB-CD2 3.82Å | ||
| 91 | Y | 98.6 | Very high | 97.9 | Very high | 25 Ų | 25 | 31.4 Ų | 31.4 | 10% | 0.098 | 18% | 0.176 | C | C | . | . | trans | -79.8 | 152.7 | 180 | -73.8 | -75.5 | 0 | 0 | 0 | 112 | C5 R6 S89 Q105 L122 D125 V126 | C5-Y91 VanDerWaalsContact C-CD1 3.44Å; R6-Y91 HydrophobicContact CB-CD1 4.17Å; R6-Y91 HydrophobicContact CB-CD2 3.57Å; R6-Y91 HydrophobicContact CB-CE1 4.38Å; R6-Y91 HydrophobicContact CB-CE2 3.82Å; R6-Y91 HydrophobicContact CB-CG 3.75Å; R6-Y91 HydrophobicContact CG-CD2 3.96Å; R6-Y91 HydrophobicContact CG-CE2 3.82Å; R6-Y91 VanDerWaalsContact N-CD1 3.32Å; S89-Y91 PolarHBondContact OG-N 2.83Å; S89-Y91 VanDerWaalsContact OG-N 3.09Å; Y91-Q105 PolarHBondContact O-NE2 3.27Å; Y91-L122 HydrophobicContact CD1-CD2 4.37Å; Y91-L122 HydrophobicContact CD2-CD2 4Å; Y91-L122 HydrophobicContact CE1-CD2 4.06Å; Y91-L122 HydrophobicContact CE2-CB 4.27Å; Y91-L122 HydrophobicContact CE2-CD2 3.65Å; Y91-L122 HydrophobicContact CG-CD2 4.36Å; Y91-D125 HydrophobicContact CD2-CB 4.35Å; Y91-D125 WeakPolarHBondContact CD2-OD2 3.48Å; Y91-D125 HydrophobicContact CE2-CB 4.09Å; Y91-V126 HydrophobicContact CE2-CG2 4.15Å; Y91-V126 WeakPolarHBondContact OH-CG2 3.44Å | ||
| 92 | D | 98.5 | Very high | 98.1 | Very high | 44 Ų | 44 | 31.9 Ų | 31.9 | 24% | 0.235 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -84.7 | -28.2 | 175.6 | -58 | -69.2 | 0 | 0 | 0 | 112.2 | Y3 S4 V103 | Y3-D92 WeakPolarHBondContact CA-OD2 3.36Å; Y3-D92 HydrophobicContact CD2-CB 3.74Å; Y3-D92 HydrophobicContact CE1-CB 4.49Å; Y3-D92 HydrophobicContact CE2-CB 3.61Å; Y3-D92 HydrophobicContact CG-CB 4.27Å; S4-D92 PolarHBondContact N-OD2 2.95Å; S4-D92 WeakPolarHBondContact O-CA 3.26Å; S4-D92 WeakPolarHBondContact O-CB 3.43Å; S4-D92 PolarHBondContact O-N 3.44Å; S4-D92 PolarHBondContact OG-N 2.89Å; S4-D92 PolarHBondContact OG-OD2 2.84Å; D92-V103 WeakPolarHBondContact O-CB 3.28Å; D92-V103 PolarHBondContact O-N 3.44Å |
| 93 | S | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 166.6 | 172 | 56.1 | 0 | 0 | 0 | 0 | 112.8 | Y3 S4 C5 R6 L101 | Y3-S93 WeakPolarHBondContact CE1-OG 3.27Å; Y3-S93 WeakPolarHBondContact OH-CB 3.46Å; Y3-S93 PolarHBondContact OH-OG 3.4Å; S4-S93 PolarHBondContact O-N 2.78Å; S4-S93 VanDerWaalsContact O-N 3.14Å; C5-S93 CarbonylContact C-O 3.57Å; C5-S93 WeakPolarHBondContact CA-O 3.37Å; C5-S93 WeakPolarHBondContact CB-OG 3.37Å; C5-S93 PolarHBondContact SG-OG 2.86Å; R6-S93 PolarHBondContact N-O 2.9Å; S93-L101 CarbonylContact C-O 3.55Å; S93-L101 WeakPolarHBondContact CA-O 3.19Å; S93-L101 WeakPolarHBondContact CB-O 3.31Å |
| 94 | Y | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 125 | 174.4 | -78.5 | -131.1 | 0 | 0 | 0 | 109 | R6 S89 D100 L101 V103 D125 I131 L135 I151 P153 | R6-Y94 HydrophobicContact CB-CD1 4.22Å; R6-Y94 HydrophobicContact CB-CD2 4.1Å; R6-Y94 HydrophobicContact CB-CE1 4.47Å; R6-Y94 HydrophobicContact CB-CE2 4.33Å; R6-Y94 HydrophobicContact CB-CG 4.01Å; R6-Y94 HydrophobicContact CG-CD1 4.37Å; R6-Y94 HydrophobicContact CG-CE1 4.38Å; S89-Y94 WeakPolarHBondContact CB-OH 3.34Å; S89-Y94 VanDerWaalsContact OG-CE2 3.31Å; S89-Y94 WeakPolarHBondContact OG-CE2 3.26Å; S89-Y94 PolarHBondContact OG-OH 2.76Å; Y94-D100 CarbonylContact O-C 3.6Å; Y94-D100 WeakPolarHBondContact O-CA 3.31Å; Y94-L101 PolarHBondContact N-O 2.76Å; Y94-L101 PolarHBondContact O-N 2.92Å; Y94-V103 HydrophobicContact CD2-CG2 3.51Å; Y94-V103 HydrophobicContact CE2-CG2 3.64Å; Y94-D125 PolarHBondContact OH-OD1 3.14Å; Y94-D125 PolarHBondContact OH-OD2 3.28Å; Y94-I131 HydrophobicContact CE1-CG2 4.08Å; Y94-L135 HydrophobicContact CD1-CD1 3.67Å; Y94-L135 HydrophobicContact CD1-CD2 4.24Å; Y94-L135 HydrophobicContact CG-CD1 4.34Å; Y94-I151 HydrophobicContact CD2-CD1 4.21Å; Y94-I151 HydrophobicContact CG-CD1 4.02Å; Y94-P153 HydrophobicContact CD1-CG 4.45Å; Y94-P153 HydrophobicContact CD2-CG 4.11Å; Y94-P153 HydrophobicContact CE1-CB 4.04Å; Y94-P153 HydrophobicContact CE1-CG 3.95Å; Y94-P153 HydrophobicContact CE2-CB 4.24Å; Y94-P153 HydrophobicContact CE2-CG 3.58Å; Y94-P153 VanDerWaalsContact CZ-CG 3.49Å; Y94-P153 WeakPolarHBondContact OH-CB 3.35Å |
| 95 | S | 98.6 | Very high | 98.6 | Very high | 32 Ų | 32 | 23.3 Ų | 23.3 | 22% | 0.224 | 12% | 0.123 | C | C | . | . | trans | -75.8 | 147 | -179.3 | -159.5 | 0 | 0 | 0 | 0 | 111.8 | R6 D100 | R6-S95 WeakPolarHBondContact O-CB 3.41Å; R6-S95 PolarHBondContact O-N 2.86Å; S95-D100 VanDerWaalsContact CA-OD1 3.3Å; S95-D100 WeakPolarHBondContact CA-OD1 3.23Å; S95-D100 WeakPolarHBondContact CB-OD1 3.17Å; S95-D100 PolarHBondContact OG-OD1 3.37Å | ||
| 96 | T | 98.7 | Very high | 98.6 | Very high | 9 Ų | 9 | 25.9 Ų | 25.9 | 6% | 0.055 | 14% | 0.14 | C | C | . | . | trans | -137.7 | 162.7 | 168.7 | 77.6 | 0 | 0 | 0 | 0 | 108.8 | F98 Y99 L101 L135 A139 | T96-F98 PolarHBondContact O-N 2.85Å; T96-F98 PolarHBondContact OG1-N 2.86Å; T96-Y99 PolarHBondContact OG1-N 2.91Å; T96-Y99 VanDerWaalsContact OG1-N 3.12Å; T96-Y99 PolarHBondContact OG1-O 2.76Å; T96-L101 HydrophobicContact CG2-CD1 3.88Å; T96-L101 HydrophobicContact CG2-CG 4.05Å; T96-L135 HydrophobicContact CG2-CB 3.68Å; T96-A139 HydrophobicContact CG2-CB 4.27Å | ||
| 97 | P | 98.3 | Very high | 98.6 | Very high | 24 Ų | 24 | 25.9 Ų | 25.9 | 16% | 0.156 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -60.3 | -15 | 173.9 | -28.1 | 38.2 | 0 | 0 | 0 | 115.1 | A11 Y15 E19 L22 | A11-P97 HydrophobicContact CB-CG 4.39Å; Y15-P97 HydrophobicContact CD2-CG 4.27Å; Y15-P97 HydrophobicContact CE2-CG 3.73Å; E19-P97 WeakPolarHBondContact CB-O 3.47Å; E19-P97 WeakPolarHBondContact CG-O 3.49Å; L22-P97 HydrophobicContact CD2-CB 3.95Å; L22-P97 HydrophobicContact CD2-CG 3.77Å |
| 98 | F | 98.6 | Very high | 98.6 | Very high | 20 Ų | 20 | 26 Ų | 26 | 9% | 0.088 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -94.2 | -54.8 | 178.3 | -55.8 | -60.5 | 0 | 0 | 0 | 112.2 | E19 L22 N23 L26 T96 P136 A139 K140 | E19-F98 HydrophobicContact CG-CD1 3.65Å; E19-F98 HydrophobicContact CG-CE1 4.08Å; L22-F98 HydrophobicContact CB-CE1 4.41Å; L22-F98 HydrophobicContact CB-CZ 4.02Å; L22-F98 HydrophobicContact CD2-CE1 4.5Å; L22-F98 HydrophobicContact CD2-CE2 3.82Å; L22-F98 HydrophobicContact CD2-CZ 3.75Å; L22-F98 HydrophobicContact CG-CE1 4.48Å; L22-F98 HydrophobicContact CG-CE2 4.12Å; L22-F98 HydrophobicContact CG-CZ 3.66Å; N23-F98 HydrophobicContact CB-CE1 3.81Å; N23-F98 HydrophobicContact CB-CZ 4.38Å; L26-F98 HydrophobicContact CD1-CE2 3.69Å; L26-F98 HydrophobicContact CD1-CZ 3.85Å; T96-F98 PolarHBondContact O-N 2.85Å; T96-F98 PolarHBondContact OG1-N 2.86Å; F98-P136 HydrophobicContact CE2-CB 4.18Å; F98-A139 HydrophobicContact CB-CB 4.35Å; F98-A139 HydrophobicContact CD2-CB 3.9Å; F98-K140 HydrophobicContact CE2-CB 4.25Å |
| 99 | Y | 98.5 | Very high | 98.6 | Very high | 18 Ų | 18 | 32.4 Ų | 32.4 | 7% | 0.071 | 17% | 0.165 | C | C | . | . | trans | -168.6 | 162.1 | -179.8 | 56.9 | -89.6 | 0 | 0 | 0 | 111.7 | T96 L101 A139 R146 F149 | T96-Y99 PolarHBondContact OG1-N 2.91Å; T96-Y99 VanDerWaalsContact OG1-N 3.12Å; T96-Y99 PolarHBondContact OG1-O 2.76Å; Y99-L101 HydrophobicContact CD2-CD2 4.11Å; Y99-L101 HydrophobicContact CE2-CD2 3.57Å; Y99-A139 HydrophobicContact CD1-CB 4.43Å; Y99-A139 HydrophobicContact CE1-CB 3.87Å; Y99-A139 VanDerWaalsContact CE1-O 3.29Å; Y99-A139 WeakPolarHBondContact CE1-O 3.35Å; Y99-A139 HydrophobicContact CE2-CB 4.34Å; Y99-A139 VanDerWaalsContact CZ-O 3.3Å; Y99-A139 VanDerWaalsContact OH-CA 3.31Å; Y99-A139 WeakPolarHBondContact OH-CA 3.35Å; Y99-A139 PolarHBondContact OH-O 2.92Å; Y99-R146 VanDerWaalsContact CB-CZ 3.43Å; Y99-R146 HydrophobicContact CD1-CG 4.17Å; Y99-R146 HydrophobicContact CD2-CG 3.91Å; Y99-R146 HydrophobicContact CE1-CB 4.39Å; Y99-R146 HydrophobicContact CE1-CG 4.19Å; Y99-R146 HydrophobicContact CE2-CB 4.34Å; Y99-R146 HydrophobicContact CE2-CG 3.89Å; Y99-R146 HydrophobicContact CG-CG 4.04Å; Y99-F149 HydrophobicContact CE2-CE1 4.22Å; Y99-F149 HydrophobicContact CE2-CZ 4.28Å | ||
| 100 | D | 98.6 | Very high | 98.6 | Very high | 75 Ų | 75 | 36.5 Ų | 36.5 | 40% | 0.401 | 18% | 0.183 | S | C | . | . | P | Polyproline II helix | trans | -75.2 | 132.3 | 177.1 | -69.6 | -2.7 | 0 | 0 | 0 | 111.4 | C5 Y94 S95 | C5-D100 VanDerWaalsContact SG-CG 3.6Å; C5-D100 PolarHBondContact SG-OD2 3.01Å; Y94-D100 CarbonylContact O-C 3.6Å; Y94-D100 WeakPolarHBondContact O-CA 3.31Å; S95-D100 VanDerWaalsContact CA-OD1 3.3Å; S95-D100 WeakPolarHBondContact CA-OD1 3.23Å; S95-D100 WeakPolarHBondContact CB-OD1 3.17Å; S95-D100 PolarHBondContact OG-OD1 3.37Å |
| 101 | L | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 117 | 176.6 | -61.1 | 177 | 0 | 0 | 0 | 109.8 | S93 Y94 T96 Y99 L135 V138 A139 F149 I151 | S93-L101 CarbonylContact C-O 3.55Å; S93-L101 WeakPolarHBondContact CA-O 3.19Å; S93-L101 WeakPolarHBondContact CB-O 3.31Å; Y94-L101 PolarHBondContact N-O 2.76Å; Y94-L101 PolarHBondContact O-N 2.92Å; T96-L101 HydrophobicContact CG2-CD1 3.88Å; T96-L101 HydrophobicContact CG2-CG 4.05Å; Y99-L101 HydrophobicContact CD2-CD2 4.11Å; Y99-L101 HydrophobicContact CE2-CD2 3.57Å; L101-L135 HydrophobicContact CD1-CB 3.87Å; L101-L135 HydrophobicContact CD1-CD2 3.88Å; L101-L135 HydrophobicContact CD1-CG 4.42Å; L101-V138 HydrophobicContact CD1-CB 4.32Å; L101-V138 HydrophobicContact CD1-CG1 3.99Å; L101-V138 HydrophobicContact CD2-CG1 4.34Å; L101-A139 HydrophobicContact CD2-CB 4.12Å; L101-F149 HydrophobicContact CD2-CE2 3.98Å; L101-F149 HydrophobicContact CD2-CZ 3.5Å; L101-I151 HydrophobicContact CB-CD1 3.64Å; L101-I151 HydrophobicContact CB-CG1 4.11Å; L101-I151 HydrophobicContact CB-CG2 4.23Å; L101-I151 HydrophobicContact CD1-CD1 4.21Å; L101-I151 HydrophobicContact CD1-CG2 4.36Å |
| 102 | V | 98.8 | Very high | 98.6 | Very high | 66 Ų | 66 | 36.9 Ų | 36.9 | 40% | 0.4 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 130.8 | -177.3 | -180 | 0 | 0 | 0 | 0 | 110.8 | T150 I151 | V102-T150 HydrophobicContact CB-CG2 4.46Å; V102-T150 HydrophobicContact CG1-CG2 4.35Å; V102-T150 CarbonylContact O-C 3.53Å; V102-T150 WeakPolarHBondContact O-CA 3.35Å; V102-I151 PolarHBondContact O-N 2.96Å |
| 103 | V | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.024 | 20% | 0.197 | C | C | . | . | B | Isolated β-bridge | trans | -80.4 | 131.6 | 175.7 | 176.5 | 0 | 0 | 0 | 0 | 109.9 | D92 Y94 Q105 N108 I151 P153 | D92-V103 WeakPolarHBondContact O-CB 3.28Å; D92-V103 PolarHBondContact O-N 3.44Å; Y94-V103 HydrophobicContact CD2-CG2 3.51Å; Y94-V103 HydrophobicContact CE2-CG2 3.64Å; V103-Q105 PolarHBondContact O-N 3.15Å; V103-N108 VanDerWaalsContact CG1-ND2 3.32Å; V103-N108 WeakPolarHBondContact CG1-ND2 3.24Å; V103-I151 CarbonylContact C-O 3.59Å; V103-I151 VanDerWaalsContact CA-O 3.32Å; V103-I151 WeakPolarHBondContact CA-O 3.5Å; V103-I151 HydrophobicContact CG2-CG1 4.27Å; V103-P153 HydrophobicContact CG2-CG 4.32Å |
| 104 | D | 98.8 | Very high | 98.6 | Very high | 17 Ų | 17 | 41.9 Ų | 41.9 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | trans | -74 | 91.6 | 175.4 | -170.7 | -18.9 | 0 | 0 | 0 | 111.3 | R71 S106 T107 N108 T150 I151 V152 | R71-D104 IonicContact CZ-OD2 3.82Å; R71-D104 IonicContact NE-OD2 2.74Å; R71-D104 PolarHBondContact NE-OD2 3.23Å; R71-D104 IonicContact NH2-OD2 3.62Å; R71-D104 PolarHBondContact NH2-OD2 2.84Å; D104-S106 PolarHBondContact O-N 3.48Å; D104-S106 WeakPolarHBondContact OD1-CA 3.18Å; D104-S106 VanDerWaalsContact OD1-CB 3.27Å; D104-S106 WeakPolarHBondContact OD1-CB 3.35Å; D104-S106 PolarHBondContact OD1-N 3.26Å; D104-T107 VanDerWaalsContact CG-OG1 3.24Å; D104-T107 PolarHBondContact O-N 3.02Å; D104-T107 PolarHBondContact OD1-N 3.5Å; D104-T107 PolarHBondContact OD2-OG1 2.95Å; D104-N108 PolarHBondContact O-N 2.57Å; D104-T150 HydrophobicContact CB-CG2 4.46Å; D104-I151 PolarHBondContact N-O 2.84Å; D104-V152 HydrophobicContact CB-CG2 3.88Å | ||
| 105 | Q | 98.3 | Very high | 98.6 | Very high | 57 Ų | 57 | 48.9 Ų | 48.9 | 27% | 0.266 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65 | -24.3 | 177 | -62.4 | -58.4 | -30.1 | 0 | 0 | 113.3 | Y91 V103 R109 | Y91-Q105 PolarHBondContact O-NE2 3.27Å; V103-Q105 PolarHBondContact O-N 3.15Å; Q105-R109 WeakPolarHBondContact O-CG 3.42Å; Q105-R109 PolarHBondContact O-N 2.96Å; Q105-R109 VanDerWaalsContact O-N 3.11Å; Q105-R109 PolarHBondContact O-NH1 3.15Å |
| 106 | S | 98.4 | Very high | 98.5 | Very high | 53 Ų | 53 | 49.7 Ų | 49.7 | 37% | 0.371 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -70.3 | -49.1 | 175.8 | -163.7 | 0 | 0 | 0 | 0 | 110.4 | D104 N108 R109 E110 | D104-S106 PolarHBondContact O-N 3.48Å; D104-S106 WeakPolarHBondContact OD1-CA 3.18Å; D104-S106 VanDerWaalsContact OD1-CB 3.27Å; D104-S106 WeakPolarHBondContact OD1-CB 3.35Å; D104-S106 PolarHBondContact OD1-N 3.26Å; S106-N108 VanDerWaalsContact C-N 3.34Å; S106-N108 PolarHBondContact O-N 2.93Å; S106-R109 WeakPolarHBondContact O-CB 3.01Å; S106-R109 PolarHBondContact O-N 3.4Å; S106-R109 VanDerWaalsContact O-N 3.14Å; S106-E110 PolarHBondContact O-N 3.44Å |
| 107 | T | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.3 | -39.6 | 176.7 | -61.3 | 0 | 0 | 0 | 0 | 111.4 | R71 F73 D104 R109 E110 L111 V152 Y174 | R71-T107 PolarHBondContact NE-OG1 3.43Å; R71-T107 PolarHBondContact NH2-OG1 2.85Å; F73-T107 HydrophobicContact CE1-CG2 3.7Å; F73-T107 HydrophobicContact CZ-CG2 3.72Å; D104-T107 VanDerWaalsContact CG-OG1 3.24Å; D104-T107 PolarHBondContact O-N 3.02Å; D104-T107 PolarHBondContact OD1-N 3.5Å; D104-T107 PolarHBondContact OD2-OG1 2.95Å; T107-R109 VanDerWaalsContact C-N 3.29Å; T107-R109 PolarHBondContact O-N 3.17Å; T107-E110 PolarHBondContact O-N 2.89Å; T107-L111 HydrophobicContact CG2-CD1 4.09Å; T107-L111 HydrophobicContact CG2-CG 4.26Å; T107-L111 WeakPolarHBondContact O-CB 3.39Å; T107-L111 WeakPolarHBondContact O-CG 3.27Å; T107-L111 PolarHBondContact O-N 3.36Å; T107-V152 HydrophobicContact CG2-CG1 4.23Å; T107-V152 HydrophobicContact CG2-CG2 3.84Å; T107-Y174 HydrophobicContact CG2-CD1 4.43Å; T107-Y174 HydrophobicContact CG2-CE1 3.79Å |
| 108 | N | 98.7 | Very high | 98.5 | Very high | 8 Ų | 8 | 53.5 Ų | 53.5 | 4% | 0.043 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.5 | -40.2 | 173.2 | -81.3 | -5.2 | 0 | 0 | 0 | 112.2 | L88 V103 D104 S106 L111 W112 | L88-N108 HydrophobicContact CD1-CB 4.35Å; L88-N108 VanDerWaalsContact CD1-O 3.28Å; L88-N108 WeakPolarHBondContact CD1-O 3.48Å; V103-N108 VanDerWaalsContact CG1-ND2 3.32Å; V103-N108 WeakPolarHBondContact CG1-ND2 3.24Å; D104-N108 PolarHBondContact O-N 2.57Å; S106-N108 VanDerWaalsContact C-N 3.34Å; S106-N108 PolarHBondContact O-N 2.93Å; N108-L111 PolarHBondContact O-N 3.42Å; N108-W112 VanDerWaalsContact O-CB 3.23Å; N108-W112 WeakPolarHBondContact O-CB 3.45Å; N108-W112 PolarHBondContact O-N 3Å |
| 109 | R | 98.5 | Very high | 98.5 | Very high | 139 Ų | 139 | 55.2 Ų | 55.2 | 53% | 0.525 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 175.2 | -76.3 | -174 | -59.7 | -92.3 | 2.8 | 112.2 | Q105 S106 T107 L111 W112 D113 | Q105-R109 WeakPolarHBondContact O-CG 3.42Å; Q105-R109 PolarHBondContact O-N 2.96Å; Q105-R109 VanDerWaalsContact O-N 3.11Å; Q105-R109 PolarHBondContact O-NH1 3.15Å; S106-R109 WeakPolarHBondContact O-CB 3.01Å; S106-R109 PolarHBondContact O-N 3.4Å; S106-R109 VanDerWaalsContact O-N 3.14Å; T107-R109 VanDerWaalsContact C-N 3.29Å; T107-R109 PolarHBondContact O-N 3.17Å; R109-L111 VanDerWaalsContact C-N 3.34Å; R109-L111 PolarHBondContact O-N 2.87Å; R109-W112 WeakPolarHBondContact O-CB 3.48Å; R109-W112 PolarHBondContact O-N 2.93Å; R109-D113 WeakPolarHBondContact O-CB 3.31Å; R109-D113 PolarHBondContact O-N 3.49Å |
| 110 | E | 98.7 | Very high | 98.4 | Very high | 91 Ų | 91 | 54.6 Ų | 54.6 | 43% | 0.425 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.4 | -45.5 | 176.3 | -69.1 | 171.1 | -159.2 | 0 | 0 | 111.8 | S106 T107 D113 T114 Y174 | S106-E110 PolarHBondContact O-N 3.44Å; T107-E110 PolarHBondContact O-N 2.89Å; E110-D113 PolarHBondContact O-N 2.86Å; E110-T114 PolarHBondContact O-N 3.02Å; E110-Y174 VanDerWaalsContact CB-OH 3.25Å; E110-Y174 WeakPolarHBondContact CB-OH 3.46Å; E110-Y174 PolarHBondContact OE2-OH 2.92Å |
| 111 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63 | -44.3 | 175.6 | -68.6 | 176.3 | 0 | 0 | 0 | 111.1 | F73 L88 T107 N108 R109 D113 T114 F117 V152 I154 I170 F171 Y174 | F73-L111 HydrophobicContact CE1-CD1 4.41Å; L88-L111 HydrophobicContact CD1-CB 3.93Å; L88-L111 HydrophobicContact CD2-CB 4.11Å; L88-L111 HydrophobicContact CD2-CD1 3.7Å; T107-L111 HydrophobicContact CG2-CD1 4.09Å; T107-L111 HydrophobicContact CG2-CG 4.26Å; T107-L111 WeakPolarHBondContact O-CB 3.39Å; T107-L111 WeakPolarHBondContact O-CG 3.27Å; T107-L111 PolarHBondContact O-N 3.36Å; N108-L111 PolarHBondContact O-N 3.42Å; R109-L111 VanDerWaalsContact C-N 3.34Å; R109-L111 PolarHBondContact O-N 2.87Å; L111-D113 VanDerWaalsContact C-N 3.28Å; L111-D113 PolarHBondContact O-N 3.49Å; L111-T114 WeakPolarHBondContact O-CB 3.44Å; L111-T114 PolarHBondContact O-N 2.83Å; L111-T114 PolarHBondContact O-OG1 3.41Å; L111-F117 HydrophobicContact CB-CD2 4.01Å; L111-F117 HydrophobicContact CB-CE2 4.01Å; L111-F117 HydrophobicContact CB-CG 4.32Å; L111-F117 HydrophobicContact CB-CZ 4.33Å; L111-F117 HydrophobicContact CD1-CE1 4.48Å; L111-F117 HydrophobicContact CD1-CZ 4.44Å; L111-F117 HydrophobicContact CD2-CE2 3.83Å; L111-F117 HydrophobicContact CD2-CZ 3.79Å; L111-F117 HydrophobicContact CG-CE2 4.45Å; L111-F117 HydrophobicContact CG-CZ 4.42Å; L111-F117 WeakPolarHBondContact O-CD2 3.44Å; L111-V152 HydrophobicContact CD1-CG1 3.94Å; L111-I154 HydrophobicContact CD1-CD1 3.93Å; L111-I170 HydrophobicContact CD2-CG2 3.7Å; L111-F171 HydrophobicContact CD2-CE1 4.28Å; L111-Y174 HydrophobicContact CD2-CD2 4.33Å; L111-Y174 HydrophobicContact CD2-CE2 3.51Å; L111-Y174 HydrophobicContact CG-CE2 4.35Å |
| 112 | W | 98.5 | Very high | 98.2 | Very high | 116 Ų | 116 | 59.5 Ų | 59.5 | 44% | 0.439 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.6 | -39.3 | 175.5 | 178.3 | -107 | 0 | 0 | 0 | 112.5 | L88 N108 R109 T114 K115 F117 T119 | L88-W112 HydrophobicContact CD1-CB 4.21Å; N108-W112 VanDerWaalsContact O-CB 3.23Å; N108-W112 WeakPolarHBondContact O-CB 3.45Å; N108-W112 PolarHBondContact O-N 3Å; R109-W112 WeakPolarHBondContact O-CB 3.48Å; R109-W112 PolarHBondContact O-N 2.93Å; W112-T114 PolarHBondContact O-N 3.22Å; W112-K115 WeakPolarHBondContact O-CA 3.15Å; W112-K115 PolarHBondContact O-N 3.01Å; W112-F117 WeakPolarHBondContact CZ3-O 3.24Å; W112-T119 HydrophobicContact CE3-CG2 4.22Å; W112-T119 HydrophobicContact CZ3-CG2 3.92Å |
| 113 | D | 98.5 | Very high | 98.1 | Very high | 102 Ų | 102 | 66 Ų | 66 | 55% | 0.545 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -72.1 | -14.3 | -178.8 | -76.5 | -27.9 | 0 | 0 | 0 | 114.3 | R109 E110 L111 K115 | R109-D113 WeakPolarHBondContact O-CB 3.31Å; R109-D113 PolarHBondContact O-N 3.49Å; E110-D113 PolarHBondContact O-N 2.86Å; L111-D113 VanDerWaalsContact C-N 3.28Å; L111-D113 PolarHBondContact O-N 3.49Å; D113-K115 PolarHBondContact O-N 3.05Å; D113-K115 IonicContact OD1-NZ 2.73Å; D113-K115 PolarHBondContact OD1-NZ 2.81Å; D113-K115 VanDerWaalsContact OD1-NZ 3.07Å |
| 114 | T | 98.2 | Very high | 98.1 | Very high | 47 Ų | 47 | 66.5 Ų | 66.5 | 29% | 0.288 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -10.6 | 165.2 | 74 | 0 | 0 | 0 | 0 | 113.4 | E110 L111 W112 S116 F117 I170 | E110-T114 PolarHBondContact O-N 3.02Å; L111-T114 WeakPolarHBondContact O-CB 3.44Å; L111-T114 PolarHBondContact O-N 2.83Å; L111-T114 PolarHBondContact O-OG1 3.41Å; W112-T114 PolarHBondContact O-N 3.22Å; T114-S116 PolarHBondContact O-N 2.82Å; T114-S116 PolarHBondContact O-OG 2.65Å; T114-S116 VanDerWaalsContact O-OG 3.12Å; T114-S116 WeakPolarHBondContact OG1-CB 3.27Å; T114-S116 PolarHBondContact OG1-N 2.93Å; T114-F117 WeakPolarHBondContact OG1-CD2 3.49Å; T114-I170 HydrophobicContact CG2-CD1 4.22Å; T114-I170 HydrophobicContact CG2-CG2 4.38Å |
| 115 | K | 97.9 | Very high | 98 | Very high | 147 Ų | 147 | 65.8 Ų | 65.8 | 64% | 0.639 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 19.4 | -174.9 | -49 | -53.2 | 175 | -157.4 | 0 | 113.9 | W112 D113 | W112-K115 WeakPolarHBondContact O-CA 3.15Å; W112-K115 PolarHBondContact O-N 3.01Å; D113-K115 PolarHBondContact O-N 3.05Å; D113-K115 IonicContact OD1-NZ 2.73Å; D113-K115 PolarHBondContact OD1-NZ 2.81Å; D113-K115 VanDerWaalsContact OD1-NZ 3.07Å |
| 116 | S | 97.9 | Very high | 98 | Very high | 48 Ų | 48 | 64.7 Ų | 64.7 | 34% | 0.336 | 31% | 0.308 | S | S | . | . | trans | -104.1 | -8 | -179.2 | -58.5 | 0 | 0 | 0 | 0 | 112.4 | T114 Y167 | T114-S116 PolarHBondContact O-N 2.82Å; T114-S116 PolarHBondContact O-OG 2.65Å; T114-S116 VanDerWaalsContact O-OG 3.12Å; T114-S116 WeakPolarHBondContact OG1-CB 3.27Å; T114-S116 PolarHBondContact OG1-N 2.93Å; S116-Y167 VanDerWaalsContact O-CE1 3.31Å; S116-Y167 WeakPolarHBondContact O-CE1 3.44Å; S116-Y167 VanDerWaalsContact O-CZ 3.31Å; S116-Y167 PolarHBondContact O-OH 3Å | ||
| 117 | F | 98.7 | Very high | 98 | Very high | 9 Ų | 9 | 63.9 Ų | 63.9 | 4% | 0.039 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 146.7 | -176.4 | -71 | -100.3 | 0 | 0 | 0 | 111.7 | C86 L88 L111 W112 T114 I154 Y167 I170 F171 | C86-F117 HydrophobicContact CB-CD1 3.61Å; C86-F117 HydrophobicContact CB-CE1 3.48Å; C86-F117 VanDerWaalsContact CB-CE1 3.48Å; C86-F117 HydrophobicContact CB-CZ 4.41Å; C86-F117 WeakPolarHBondContact O-CA 3.34Å; L88-F117 HydrophobicContact CD1-CB 3.94Å; L88-F117 HydrophobicContact CD1-CD1 4.47Å; L88-F117 HydrophobicContact CD1-CG 4.3Å; L88-F117 HydrophobicContact CD2-CD1 3.63Å; L88-F117 HydrophobicContact CD2-CE1 4.09Å; L88-F117 HydrophobicContact CD2-CG 4.25Å; L88-F117 HydrophobicContact CG-CB 3.97Å; L88-F117 HydrophobicContact CG-CD1 3.9Å; L88-F117 HydrophobicContact CG-CG 4.18Å; L111-F117 HydrophobicContact CB-CD2 4.01Å; L111-F117 HydrophobicContact CB-CE2 4.01Å; L111-F117 HydrophobicContact CB-CG 4.32Å; L111-F117 HydrophobicContact CB-CZ 4.33Å; L111-F117 HydrophobicContact CD1-CE1 4.48Å; L111-F117 HydrophobicContact CD1-CZ 4.44Å; L111-F117 HydrophobicContact CD2-CE2 3.83Å; L111-F117 HydrophobicContact CD2-CZ 3.79Å; L111-F117 HydrophobicContact CG-CE2 4.45Å; L111-F117 HydrophobicContact CG-CZ 4.42Å; L111-F117 WeakPolarHBondContact O-CD2 3.44Å; W112-F117 WeakPolarHBondContact CZ3-O 3.24Å; T114-F117 WeakPolarHBondContact OG1-CD2 3.49Å; F117-I154 HydrophobicContact CE1-CD1 4.4Å; F117-I154 HydrophobicContact CE1-CG2 4.17Å; F117-Y167 HydrophobicContact CD1-CE1 4.41Å; F117-Y167 HydrophobicContact CD2-CE1 4.29Å; F117-Y167 HydrophobicContact CE1-CD1 4.25Å; F117-Y167 HydrophobicContact CE1-CE1 4.13Å; F117-Y167 HydrophobicContact CE2-CD1 4.08Å; F117-Y167 AromaticContact CE2-CE1 4Å; F117-Y167 HydrophobicContact CE2-CE1 4Å; F117-Y167 HydrophobicContact CG-CE1 4.49Å; F117-Y167 AromaticContact CZ-CD1 3.77Å; F117-Y167 HydrophobicContact CZ-CD1 3.77Å; F117-Y167 AromaticContact CZ-CE1 3.92Å; F117-Y167 HydrophobicContact CZ-CE1 3.92Å; F117-I170 HydrophobicContact CE2-CD1 4.02Å; F117-I170 HydrophobicContact CE2-CG2 4.24Å; F117-F171 AromaticContact CE1-CZ 3.88Å; F117-F171 HydrophobicContact CE1-CZ 3.88Å; F117-F171 HydrophobicContact CZ-CE1 4.16Å; F117-F171 HydrophobicContact CZ-CE2 4.37Å; F117-F171 AromaticContact CZ-CZ 3.69Å; F117-F171 HydrophobicContact CZ-CZ 3.69Å |
| 118 | E | 98.2 | Very high | 97.9 | Very high | 104 Ų | 104 | 63.9 Ų | 63.9 | 49% | 0.486 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -178.8 | 166.4 | -64.4 | 179.4 | -118 | 0 | 0 | 109.4 | L83 C86 A87 L88 | L83-E118 WeakPolarHBondContact CD1-OE1 3.12Å; C86-E118 PolarHBondContact O-N 2.97Å; A87-E118 CarbonylContact C-O 3.44Å; A87-E118 VanDerWaalsContact CA-O 3.28Å; A87-E118 WeakPolarHBondContact CA-O 3.2Å; A87-E118 HydrophobicContact CB-CB 4.23Å; L88-E118 PolarHBondContact N-O 3.09Å |
| 119 | T | 98.1 | Very high | 97.9 | Very high | 57 Ų | 57 | 64.7 Ų | 64.7 | 35% | 0.35 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 141.2 | 171 | 58.2 | 0 | 0 | 0 | 0 | 110 | L88 K90 W112 | L88-T119 CarbonylContact O-C 3.47Å; L88-T119 WeakPolarHBondContact O-CA 3.47Å; K90-T119 VanDerWaalsContact CE-CB 3.48Å; K90-T119 WeakPolarHBondContact CE-OG1 3.33Å; W112-T119 HydrophobicContact CE3-CG2 4.22Å; W112-T119 HydrophobicContact CZ3-CG2 3.92Å |
| 120 | M | 97.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.02 | 28% | 0.282 | C | S | . | . | trans | -67.2 | 139.4 | 173.1 | -66 | -175.1 | -84.1 | 0 | 0 | 110.7 | A87 L88 K90 D125 L155 | A87-M120 HydrophobicContact CB-CG 3.73Å; L88-M120 PolarHBondContact O-N 2.95Å; K90-M120 VanDerWaalsContact CD-O 3.24Å; K90-M120 WeakPolarHBondContact CD-O 3.35Å; K90-M120 WeakPolarHBondContact CE-O 3.11Å; K90-M120 WeakPolarHBondContact CG-O 3.35Å; M120-D125 HydrophobicContact CB-CB 4.14Å; M120-D125 HydrophobicContact CE-CB 4.47Å; M120-D125 WeakPolarHBondContact CE-OD2 3.34Å; M120-D125 HydrophobicContact SD-CB 4.13Å; M120-L155 HydrophobicContact CG-CB 4.08Å; M120-L155 HydrophobicContact CG-CD2 4.08Å; M120-L155 HydrophobicContact SD-CB 3.6Å; M120-L155 VanDerWaalsContact SD-CB 3.6Å; M120-L155 HydrophobicContact SD-CD2 3.96Å; M120-L155 HydrophobicContact SD-CG 4.3Å | ||
| 121 | E | 96.7 | Very high | 97.9 | Very high | 102 Ų | 102 | 53.8 Ų | 53.8 | 48% | 0.477 | 26% | 0.262 | S | S | . | . | trans | -67.2 | 141.7 | 159.9 | -71.6 | -55.5 | 125.5 | 0 | 0 | 109.2 | K90 R123 T124 D125 | K90-E121 IonicContact NZ-OE1 3.75Å; K90-E121 PolarHBondContact NZ-OE1 3.34Å; K90-E121 IonicContact NZ-OE2 2.72Å; E121-R123 HydrophobicContact CB-CG 4.3Å; E121-R123 PolarHBondContact O-N 2.85Å; E121-R123 VanDerWaalsContact O-N 3.15Å; E121-T124 WeakPolarHBondContact O-CA 3.36Å; E121-T124 VanDerWaalsContact O-CB 3.31Å; E121-T124 WeakPolarHBondContact O-CB 3.24Å; E121-T124 PolarHBondContact O-N 3.08Å; E121-D125 PolarHBondContact O-N 2.8Å | ||
| 122 | L | 96.3 | Very high | 97.9 | Very high | 78 Ų | 78 | 53.8 Ų | 53.8 | 41% | 0.408 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -54.8 | -40.6 | -174.7 | -62.4 | 178.7 | 0 | 0 | 0 | 112.1 | K90 Y91 T124 D125 V126 | K90-L122 HydrophobicContact CB-CD2 3.82Å; Y91-L122 HydrophobicContact CD1-CD2 4.37Å; Y91-L122 HydrophobicContact CD2-CD2 4Å; Y91-L122 HydrophobicContact CE1-CD2 4.06Å; Y91-L122 HydrophobicContact CE2-CB 4.27Å; Y91-L122 HydrophobicContact CE2-CD2 3.65Å; Y91-L122 HydrophobicContact CG-CD2 4.36Å; L122-T124 VanDerWaalsContact C-N 3.32Å; L122-T124 PolarHBondContact O-N 2.88Å; L122-D125 WeakPolarHBondContact O-CB 3.47Å; L122-D125 PolarHBondContact O-N 2.75Å; L122-V126 WeakPolarHBondContact O-CG2 3.45Å; L122-V126 PolarHBondContact O-N 3.22Å |
| 123 | R | 96.6 | Very high | 97.9 | Very high | 204 Ų | 204 | 48.2 Ų | 48.2 | 77% | 0.77 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -64.1 | -34.4 | 175.8 | 67.5 | -179.7 | -179.9 | 172.2 | -0.8 | 113.4 | E121 A127 | E121-R123 HydrophobicContact CB-CG 4.3Å; E121-R123 PolarHBondContact O-N 2.85Å; E121-R123 VanDerWaalsContact O-N 3.15Å; R123-A127 WeakPolarHBondContact O-CB 3.45Å; R123-A127 PolarHBondContact O-N 3.36Å |
| 124 | T | 97.4 | Very high | 97.9 | Very high | 14 Ų | 14 | 43.4 Ų | 43.4 | 9% | 0.086 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71 | -43.6 | 178.3 | -64.2 | 0 | 0 | 0 | 0 | 109.5 | V81 E121 L122 A127 E128 L155 | V81-T124 HydrophobicContact CB-CG2 4.38Å; V81-T124 HydrophobicContact CG1-CG2 3.71Å; V81-T124 WeakPolarHBondContact CG1-OG1 3.42Å; V81-T124 HydrophobicContact CG2-CG2 3.7Å; E121-T124 WeakPolarHBondContact O-CA 3.36Å; E121-T124 VanDerWaalsContact O-CB 3.31Å; E121-T124 WeakPolarHBondContact O-CB 3.24Å; E121-T124 PolarHBondContact O-N 3.08Å; L122-T124 VanDerWaalsContact C-N 3.32Å; L122-T124 PolarHBondContact O-N 2.88Å; T124-A127 PolarHBondContact O-N 2.94Å; T124-E128 WeakPolarHBondContact O-CB 3.4Å; T124-E128 PolarHBondContact O-N 2.97Å; T124-L155 HydrophobicContact CG2-CD2 4.03Å |
| 125 | D | 98.3 | Very high | 98 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.011 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.8 | -48.3 | 176.3 | -160.1 | -25.4 | 0 | 0 | 0 | 111.2 | R6 S89 Y91 Y94 M120 E121 L122 A127 E128 | R6-D125 WeakPolarHBondContact CD-OD1 3.39Å; R6-D125 VanDerWaalsContact CZ-O 3.23Å; R6-D125 PolarHBondContact NE-O 2.82Å; R6-D125 IonicContact NE-OD1 2.81Å; R6-D125 PolarHBondContact NE-OD1 2.8Å; R6-D125 PolarHBondContact NH2-O 3.18Å; S89-D125 WeakPolarHBondContact CB-OD2 3.32Å; S89-D125 PolarHBondContact OG-OD2 3Å; Y91-D125 HydrophobicContact CD2-CB 4.35Å; Y91-D125 WeakPolarHBondContact CD2-OD2 3.48Å; Y91-D125 HydrophobicContact CE2-CB 4.09Å; Y94-D125 PolarHBondContact OH-OD1 3.14Å; Y94-D125 PolarHBondContact OH-OD2 3.28Å; M120-D125 HydrophobicContact CB-CB 4.14Å; M120-D125 HydrophobicContact CE-CB 4.47Å; M120-D125 WeakPolarHBondContact CE-OD2 3.34Å; M120-D125 HydrophobicContact SD-CB 4.13Å; E121-D125 PolarHBondContact O-N 2.8Å; L122-D125 WeakPolarHBondContact O-CB 3.47Å; L122-D125 PolarHBondContact O-N 2.75Å; D125-A127 PolarHBondContact O-N 2.8Å; D125-E128 PolarHBondContact O-N 2.75Å |
| 126 | V | 98.1 | Very high | 98 | Very high | 34 Ų | 34 | 34.2 Ų | 34.2 | 21% | 0.206 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.7 | -35.4 | 178 | 173.6 | 0 | 0 | 0 | 0 | 113.2 | R6 P7 S9 Y91 L122 | R6-V126 HydrophobicContact CG-CG2 4Å; R6-V126 PolarHBondContact NH2-O 2.94Å; P7-V126 HydrophobicContact CG-CG1 4.13Å; P7-V126 HydrophobicContact CG-CG2 3.93Å; S9-V126 PolarHBondContact OG-O 2.98Å; Y91-V126 HydrophobicContact CE2-CG2 4.15Å; Y91-V126 WeakPolarHBondContact OH-CG2 3.44Å; L122-V126 WeakPolarHBondContact O-CG2 3.45Å; L122-V126 PolarHBondContact O-N 3.22Å |
| 127 | A | 97.4 | Very high | 98.1 | Very high | 35 Ų | 35 | 32 Ų | 32 | 29% | 0.289 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -72.6 | -35.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | H80 R123 T124 D125 H129 | H80-A127 HydrophobicContact CB-CB 4.45Å; H80-A127 PolarHBondContact CD2-O 2.84Å; H80-A127 PolarHBondContact NE2-O 3.31Å; R123-A127 WeakPolarHBondContact O-CB 3.45Å; R123-A127 PolarHBondContact O-N 3.36Å; T124-A127 PolarHBondContact O-N 2.94Å; D125-A127 PolarHBondContact O-N 2.8Å; A127-H129 PolarHBondContact O-N 3.02Å |
| 128 | E | 98 | Very high | 98.1 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | trans | -68.4 | 112.6 | -177.1 | -179 | 57.1 | -121.8 | 0 | 0 | 112.4 | R6 P77 H79 H80 T124 D125 S130 L155 | R6-E128 PolarHBondContact NH2-O 2.8Å; P77-E128 VanDerWaalsContact O-CD 3.24Å; H79-E128 WeakPolarHBondContact CB-OE2 3.3Å; H79-E128 IonicContact CE1-OE1 3.12Å; H79-E128 IonicContact CG-OE1 3.14Å; H79-E128 IonicContact CG-OE2 3.41Å; H79-E128 PolarHBondContact N-OE2 3.47Å; H79-E128 IonicContact ND1-OE1 2.64Å; H79-E128 PolarHBondContact ND1-OE1 2.8Å; H79-E128 IonicContact ND1-OE2 3.62Å; H79-E128 PolarHBondContact ND1-OE2 3Å; H80-E128 IonicContact CD2-OE2 3.76Å; T124-E128 WeakPolarHBondContact O-CB 3.4Å; T124-E128 PolarHBondContact O-N 2.97Å; D125-E128 PolarHBondContact O-N 2.75Å; E128-S130 WeakPolarHBondContact OE1-CB 3.44Å; E128-S130 PolarHBondContact OE1-N 2.89Å; E128-S130 PolarHBondContact OE1-OG 3.21Å; E128-L155 HydrophobicContact CB-CD1 4.44Å; E128-L155 HydrophobicContact CG-CD1 3.63Å | ||
| 129 | H | 97.9 | Very high | 98.1 | Very high | 24 Ų | 24 | 26.7 Ų | 26.7 | 11% | 0.111 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -82.2 | -29.4 | -178.3 | 67.7 | -79.8 | 0 | 0 | 0 | 113.1 | H10 W14 H79 A127 I131 E132 M133 | H10-H129 WeakPolarHBondContact NE2-CB 3.36Å; W14-H129 AromaticContact CZ3-CD2 3.87Å; H79-H129 AromaticContact CD2-CE1 3.94Å; H79-H129 AromaticContact CE1-CE1 3.39Å; H79-H129 PolarHBondContact CE1-CE1 3.21Å; H79-H129 AromaticContact CE1-NE2 3.7Å; H79-H129 AromaticContact CG-CE1 3.68Å; H79-H129 AromaticContact ND1-CE1 3.35Å; H79-H129 PolarHBondContact ND1-CE1 2.9Å; H79-H129 AromaticContact ND1-ND1 3.89Å; H79-H129 AromaticContact NE2-CE1 3.76Å; A127-H129 PolarHBondContact O-N 3.02Å; H129-I131 VanDerWaalsContact C-N 3.29Å; H129-I131 PolarHBondContact O-N 3.25Å; H129-E132 PolarHBondContact O-N 3.42Å; H129-M133 WeakPolarHBondContact O-CG 3.38Å; H129-M133 PolarHBondContact O-N 2.65Å |
| 130 | S | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.5 | -36.2 | -167.8 | 62 | 0 | 0 | 0 | 0 | 113.9 | H47 P77 E128 S185 | H47-S130 WeakPolarHBondContact ND1-CB 3.42Å; P77-S130 PolarHBondContact O-OG 3.04Å; P77-S130 VanDerWaalsContact O-OG 3.13Å; E128-S130 WeakPolarHBondContact OE1-CB 3.44Å; E128-S130 PolarHBondContact OE1-N 2.89Å; E128-S130 PolarHBondContact OE1-OG 3.21Å; S130-S185 WeakPolarHBondContact O-CB 3.23Å; S130-S185 PolarHBondContact O-OG 2.98Å |
| 131 | I | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -73.8 | -44.8 | 173.7 | -65.4 | 176.3 | 0 | 0 | 0 | 109.8 | I74 Y94 H129 M133 Q134 P153 | I74-I131 HydrophobicContact CB-CG2 4.47Å; I74-I131 HydrophobicContact CG2-CG2 4.05Å; Y94-I131 HydrophobicContact CE1-CG2 4.08Å; H129-I131 VanDerWaalsContact C-N 3.29Å; H129-I131 PolarHBondContact O-N 3.25Å; I131-M133 VanDerWaalsContact C-N 3.3Å; I131-M133 PolarHBondContact O-N 3.21Å; I131-Q134 WeakPolarHBondContact O-CB 3.46Å; I131-Q134 PolarHBondContact O-N 2.9Å; I131-Q134 VanDerWaalsContact O-N 3.13Å; I131-P153 HydrophobicContact CD1-CB 4.33Å; I131-P153 HydrophobicContact CG2-CB 3.98Å |
| 132 | E | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.6 | -40.9 | -177.9 | -176.9 | 170.7 | 160.6 | 0 | 0 | 113 | R6 A8 S9 H10 Y15 H129 Q134 L135 P136 | R6-E132 IonicContact CZ-OE2 3.48Å; R6-E132 IonicContact NH1-OE2 3.25Å; R6-E132 PolarHBondContact NH1-OE2 3.41Å; R6-E132 IonicContact NH2-OE2 3.69Å; R6-E132 PolarHBondContact NH2-OE2 3.29Å; A8-E132 WeakPolarHBondContact CA-OE1 3.5Å; S9-E132 PolarHBondContact N-OE1 2.96Å; S9-E132 VanDerWaalsContact N-OE1 3.16Å; S9-E132 PolarHBondContact OG-OE2 3.28Å; H10-E132 WeakPolarHBondContact CA-OE1 3.29Å; H10-E132 WeakPolarHBondContact CB-OE1 3.31Å; H10-E132 IonicContact CE1-OE2 3.96Å; H10-E132 IonicContact CG-OE1 3.04Å; H10-E132 IonicContact CG-OE2 3.67Å; H10-E132 PolarHBondContact N-OE1 2.97Å; H10-E132 VanDerWaalsContact ND1-CD 3.33Å; H10-E132 IonicContact ND1-OE1 3.23Å; H10-E132 IonicContact ND1-OE2 3.37Å; H10-E132 PolarHBondContact ND1-OE2 2.9Å; Y15-E132 HydrophobicContact CE1-CG 4.23Å; Y15-E132 PolarHBondContact OH-OE1 2.87Å; H129-E132 PolarHBondContact O-N 3.42Å; E132-Q134 PolarHBondContact O-N 3.45Å; E132-L135 HydrophobicContact CB-CD1 4.29Å; E132-L135 HydrophobicContact CG-CD1 4.14Å; E132-L135 WeakPolarHBondContact O-CB 3.5Å; E132-L135 WeakPolarHBondContact O-CG 3.29Å; E132-L135 PolarHBondContact O-N 2.92Å; E132-P136 VanDerWaalsContact O-CD 3.3Å; E132-P136 WeakPolarHBondContact O-CD 3.45Å |
| 133 | M | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -12.4 | -178.1 | -66.1 | -48.9 | -62.7 | 0 | 0 | 113.7 | H10 W14 Y15 H47 A48 Y50 H129 I131 | H10-M133 HydrophobicContact CB-SD 4.48Å; W14-M133 HydrophobicContact CB-CE 3.69Å; W14-M133 HydrophobicContact CB-SD 3.52Å; W14-M133 VanDerWaalsContact CB-SD 3.52Å; W14-M133 HydrophobicContact CD2-SD 4.43Å; W14-M133 HydrophobicContact CE3-CE 4.4Å; W14-M133 HydrophobicContact CE3-CG 4.39Å; W14-M133 HydrophobicContact CE3-SD 4.22Å; W14-M133 HydrophobicContact CG-SD 4.17Å; Y15-M133 HydrophobicContact CD1-CE 3.82Å; Y15-M133 HydrophobicContact CD1-SD 3.68Å; Y15-M133 HydrophobicContact CE1-SD 3.9Å; H47-M133 HydrophobicContact CB-CB 4Å; H47-M133 VanDerWaalsContact O-CG 3.3Å; H47-M133 WeakPolarHBondContact O-CG 3.5Å; A48-M133 VanDerWaalsContact O-CE 3.26Å; A48-M133 WeakPolarHBondContact O-CE 3.37Å; Y50-M133 HydrophobicContact CD1-CE 3.48Å; Y50-M133 VanDerWaalsContact CD1-CE 3.48Å; Y50-M133 HydrophobicContact CE1-CE 3.5Å; Y50-M133 VanDerWaalsContact CE1-CE 3.5Å; Y50-M133 VanDerWaalsContact CE1-O 3.31Å; Y50-M133 WeakPolarHBondContact CE1-O 3.17Å; Y50-M133 HydrophobicContact CG-CE 4.37Å; Y50-M133 PolarHBondContact OH-O 3.2Å; H129-M133 WeakPolarHBondContact O-CG 3.38Å; H129-M133 PolarHBondContact O-N 2.65Å; I131-M133 VanDerWaalsContact C-N 3.3Å; I131-M133 PolarHBondContact O-N 3.21Å |
| 134 | Q | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -25.2 | 172.7 | -56.9 | -44.4 | -47.9 | 0 | 0 | 113 | S45 P46 Y61 I74 I131 E132 Y137 V138 I183 S185 | S45-Q134 PolarHBondContact OG-OE1 2.73Å; P46-Q134 PolarHBondContact O-NE2 3.23Å; Y61-Q134 WeakPolarHBondContact OH-CA 3.34Å; Y61-Q134 WeakPolarHBondContact OH-CB 3.21Å; Y61-Q134 PolarHBondContact OH-O 2.65Å; Y61-Q134 PolarHBondContact OH-OE1 3.04Å; I74-Q134 HydrophobicContact CG2-CB 4Å; I74-Q134 HydrophobicContact CG2-CG 4.04Å; I131-Q134 WeakPolarHBondContact O-CB 3.46Å; I131-Q134 PolarHBondContact O-N 2.9Å; I131-Q134 VanDerWaalsContact O-N 3.13Å; E132-Q134 PolarHBondContact O-N 3.45Å; Q134-Y137 PolarHBondContact O-N 3.12Å; Q134-V138 WeakPolarHBondContact O-CG2 3.18Å; Q134-V138 PolarHBondContact O-N 2.85Å; Q134-I183 HydrophobicContact CB-CG2 4.23Å; Q134-I183 HydrophobicContact CG-CG2 3.88Å; Q134-S185 PolarHBondContact NE2-OG 2.99Å |
| 135 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.7 | -42.5 | -166.3 | -51 | 170.1 | 0 | 0 | 0 | 114.2 | I74 Y94 T96 L101 E132 Y137 V138 A139 I151 | I74-L135 HydrophobicContact CD1-CD2 3.64Å; Y94-L135 HydrophobicContact CD1-CD1 3.67Å; Y94-L135 HydrophobicContact CD1-CD2 4.24Å; Y94-L135 HydrophobicContact CG-CD1 4.34Å; T96-L135 HydrophobicContact CG2-CB 3.68Å; L101-L135 HydrophobicContact CD1-CB 3.87Å; L101-L135 HydrophobicContact CD1-CD2 3.88Å; L101-L135 HydrophobicContact CD1-CG 4.42Å; E132-L135 HydrophobicContact CB-CD1 4.29Å; E132-L135 HydrophobicContact CG-CD1 4.14Å; E132-L135 WeakPolarHBondContact O-CB 3.5Å; E132-L135 WeakPolarHBondContact O-CG 3.29Å; E132-L135 PolarHBondContact O-N 2.92Å; L135-Y137 VanDerWaalsContact C-N 3.32Å; L135-Y137 PolarHBondContact O-N 3.15Å; L135-V138 WeakPolarHBondContact O-CB 3.34Å; L135-V138 PolarHBondContact O-N 3.36Å; L135-A139 WeakPolarHBondContact O-CB 3.38Å; L135-A139 PolarHBondContact O-N 2.99Å; L135-I151 HydrophobicContact CD2-CD1 4.05Å |
| 136 | P | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.7 | -40.1 | 177.3 | -23.8 | 33.3 | 0 | 0 | 0 | 113.1 | Y15 L22 L26 Y50 F98 E132 A139 K140 | Y15-P136 HydrophobicContact CD1-CG 4.5Å; Y15-P136 HydrophobicContact CD2-CG 3.92Å; Y15-P136 HydrophobicContact CE1-CG 4.38Å; Y15-P136 HydrophobicContact CE2-CG 3.76Å; Y15-P136 HydrophobicContact CG-CG 4.29Å; L22-P136 HydrophobicContact CD2-CB 3.93Å; L22-P136 HydrophobicContact CD2-CG 4.45Å; L26-P136 HydrophobicContact CD1-CB 4.19Å; Y50-P136 HydrophobicContact CE2-CB 4.05Å; Y50-P136 HydrophobicContact CE2-CG 4.27Å; Y50-P136 WeakPolarHBondContact OH-CB 3.49Å; Y50-P136 WeakPolarHBondContact OH-CD 3.19Å; Y50-P136 WeakPolarHBondContact OH-CG 3.42Å; F98-P136 HydrophobicContact CE2-CB 4.18Å; E132-P136 VanDerWaalsContact O-CD 3.3Å; E132-P136 WeakPolarHBondContact O-CD 3.45Å; P136-A139 PolarHBondContact O-N 2.86Å; P136-K140 VanDerWaalsContact O-CB 3.31Å; P136-K140 WeakPolarHBondContact O-CB 3.39Å; P136-K140 PolarHBondContact O-N 3.17Å |
| 137 | Y | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 0% | 0.004 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.8 | -41.4 | 174.5 | -99.6 | -65 | 0 | 0 | 0 | 112.4 | L26 W29 L30 Y50 G54 A57 A58 Y61 Q134 L135 K140 V141 | L26-Y137 HydrophobicContact CB-CE1 4.48Å; L26-Y137 HydrophobicContact CD2-CD1 4.07Å; L26-Y137 HydrophobicContact CD2-CD2 3.9Å; L26-Y137 HydrophobicContact CD2-CE1 3.72Å; L26-Y137 HydrophobicContact CD2-CE2 3.55Å; L26-Y137 HydrophobicContact CD2-CG 4.15Å; L26-Y137 VanDerWaalsContact CD2-CZ 3.44Å; W29-Y137 VanDerWaalsContact CE3-OH 3.27Å; L30-Y137 HydrophobicContact CD1-CD1 4.48Å; L30-Y137 HydrophobicContact CD1-CE1 4.26Å; L30-Y137 HydrophobicContact CD2-CD1 4.43Å; L30-Y137 HydrophobicContact CD2-CE1 3.99Å; L30-Y137 HydrophobicContact CG-CE1 3.98Å; Y50-Y137 HydrophobicContact CE1-CD2 4.32Å; Y50-Y137 HydrophobicContact CE2-CD2 4.37Å; Y50-Y137 AromaticContact CZ-CD2 3.87Å; G54-Y137 PolarHBondContact O-OH 2.9Å; A57-Y137 HydrophobicContact CB-CD2 4.09Å; A57-Y137 HydrophobicContact CB-CE2 3.65Å; A58-Y137 HydrophobicContact CB-CE1 4.33Å; A58-Y137 WeakPolarHBondContact CB-OH 3.33Å; Y61-Y137 HydrophobicContact CD1-CD1 4.41Å; Y61-Y137 HydrophobicContact CD1-CG 4.38Å; Y61-Y137 AromaticContact CD2-CD1 3.79Å; Y61-Y137 HydrophobicContact CD2-CD1 3.79Å; Y61-Y137 AromaticContact CD2-CD2 4Å; Y61-Y137 HydrophobicContact CD2-CD2 4Å; Y61-Y137 HydrophobicContact CD2-CE1 4.45Å; Y61-Y137 AromaticContact CD2-CG 3.54Å; Y61-Y137 HydrophobicContact CD2-CG 3.54Å; Y61-Y137 VanDerWaalsContact CE2-CB 3.43Å; Y61-Y137 HydrophobicContact CE2-CD1 4.45Å; Y61-Y137 HydrophobicContact CE2-CD2 4.04Å; Y61-Y137 AromaticContact CE2-CG 3.75Å; Y61-Y137 HydrophobicContact CE2-CG 3.75Å; Y61-Y137 AromaticContact CG-CD1 3.78Å; Y61-Y137 HydrophobicContact CG-CD1 3.78Å; Y61-Y137 AromaticContact CG-CG 3.89Å; Y61-Y137 HydrophobicContact CG-CG 3.89Å; Y61-Y137 VanDerWaalsContact CZ-CB 3.44Å; Q134-Y137 PolarHBondContact O-N 3.12Å; L135-Y137 VanDerWaalsContact C-N 3.32Å; L135-Y137 PolarHBondContact O-N 3.15Å; Y137-K140 PolarHBondContact O-N 2.89Å; Y137-V141 WeakPolarHBondContact O-CB 3.29Å; Y137-V141 WeakPolarHBondContact O-CG2 3.31Å; Y137-V141 PolarHBondContact O-N 3.32Å |
| 138 | V | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.2 | -53.1 | 172.5 | 168.2 | 0 | 0 | 0 | 0 | 110.5 | Y61 I72 I74 L101 Q134 L135 K140 V141 M142 F149 I151 I183 | Y61-V138 HydrophobicContact CE1-CG2 3.97Å; I72-V138 HydrophobicContact CD1-CG1 3.83Å; I72-V138 HydrophobicContact CG2-CG2 4.45Å; I74-V138 HydrophobicContact CD1-CG2 4.27Å; L101-V138 HydrophobicContact CD1-CB 4.32Å; L101-V138 HydrophobicContact CD1-CG1 3.99Å; L101-V138 HydrophobicContact CD2-CG1 4.34Å; Q134-V138 WeakPolarHBondContact O-CG2 3.18Å; Q134-V138 PolarHBondContact O-N 2.85Å; L135-V138 WeakPolarHBondContact O-CB 3.34Å; L135-V138 PolarHBondContact O-N 3.36Å; V138-K140 PolarHBondContact O-N 2.8Å; V138-V141 PolarHBondContact O-N 2.99Å; V138-M142 HydrophobicContact CG1-CG 4.43Å; V138-M142 VanDerWaalsContact O-CB 3.26Å; V138-M142 WeakPolarHBondContact O-CB 3.43Å; V138-M142 VanDerWaalsContact O-CG 3.31Å; V138-M142 WeakPolarHBondContact O-CG 3.46Å; V138-M142 PolarHBondContact O-N 2.83Å; V138-F149 HydrophobicContact CG1-CE2 3.77Å; V138-F149 HydrophobicContact CG1-CZ 4.13Å; V138-I151 HydrophobicContact CG1-CG2 4.24Å; V138-I183 HydrophobicContact CG2-CD1 3.27Å |
| 139 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.6 | -38 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T96 F98 Y99 L101 L135 P136 E143 | T96-A139 HydrophobicContact CG2-CB 4.27Å; F98-A139 HydrophobicContact CB-CB 4.35Å; F98-A139 HydrophobicContact CD2-CB 3.9Å; Y99-A139 HydrophobicContact CD1-CB 4.43Å; Y99-A139 HydrophobicContact CE1-CB 3.87Å; Y99-A139 VanDerWaalsContact CE1-O 3.29Å; Y99-A139 WeakPolarHBondContact CE1-O 3.35Å; Y99-A139 HydrophobicContact CE2-CB 4.34Å; Y99-A139 VanDerWaalsContact CZ-O 3.3Å; Y99-A139 VanDerWaalsContact OH-CA 3.31Å; Y99-A139 WeakPolarHBondContact OH-CA 3.35Å; Y99-A139 PolarHBondContact OH-O 2.92Å; L101-A139 HydrophobicContact CD2-CB 4.12Å; L135-A139 WeakPolarHBondContact O-CB 3.38Å; L135-A139 PolarHBondContact O-N 2.99Å; P136-A139 PolarHBondContact O-N 2.86Å; A139-E143 PolarHBondContact O-N 3.35Å |
| 140 | K | 98.8 | Very high | 98.5 | Very high | 17 Ų | 17 | 31.7 Ų | 31.7 | 7% | 0.074 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -71.5 | -49.6 | 179.1 | -177.8 | 56.2 | -176.5 | 172.4 | 0 | 113.3 | N23 L26 D27 L30 F98 P136 Y137 V138 M142 E143 | N23-K140 VanDerWaalsContact OD1-CE 3.31Å; N23-K140 WeakPolarHBondContact OD1-CE 3.47Å; N23-K140 PolarHBondContact OD1-NZ 3.36Å; L26-K140 HydrophobicContact CB-CG 4.05Å; L26-K140 HydrophobicContact CD1-CB 3.83Å; L26-K140 HydrophobicContact CD1-CG 4.21Å; D27-K140 WeakPolarHBondContact OD1-CE 3.39Å; D27-K140 IonicContact OD1-NZ 3.33Å; D27-K140 PolarHBondContact OD1-NZ 2.86Å; D27-K140 IonicContact OD2-NZ 3.74Å; D27-K140 PolarHBondContact OD2-NZ 3.01Å; L30-K140 HydrophobicContact CD1-CG 3.91Å; F98-K140 HydrophobicContact CE2-CB 4.25Å; P136-K140 VanDerWaalsContact O-CB 3.31Å; P136-K140 WeakPolarHBondContact O-CB 3.39Å; P136-K140 PolarHBondContact O-N 3.17Å; Y137-K140 PolarHBondContact O-N 2.89Å; V138-K140 PolarHBondContact O-N 2.8Å; K140-M142 VanDerWaalsContact C-N 3.28Å; K140-M142 PolarHBondContact O-N 2.83Å; K140-E143 IonicContact NZ-OE2 3Å; K140-E143 PolarHBondContact NZ-OE2 3.21Å; K140-E143 WeakPolarHBondContact O-CB 3.42Å; K140-E143 PolarHBondContact O-N 2.99Å |
| 141 | V | 98.7 | Very high | 98.5 | Very high | 22 Ų | 22 | 31.7 Ų | 31.7 | 13% | 0.133 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.2 | -33.6 | -178.6 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | L30 Y61 I64 Y137 V138 E143 | L30-V141 HydrophobicContact CD1-CG2 4.14Å; L30-V141 HydrophobicContact CD2-CG2 4.24Å; Y61-V141 HydrophobicContact CD1-CG2 4.1Å; Y61-V141 HydrophobicContact CG-CG2 4.44Å; I64-V141 HydrophobicContact CB-CG1 3.93Å; I64-V141 HydrophobicContact CG2-CG1 3.78Å; Y137-V141 WeakPolarHBondContact O-CB 3.29Å; Y137-V141 WeakPolarHBondContact O-CG2 3.31Å; Y137-V141 PolarHBondContact O-N 3.32Å; V138-V141 PolarHBondContact O-N 2.99Å; V141-E143 VanDerWaalsContact C-N 3.32Å |
| 142 | M | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 10.5 | 178.9 | -58.2 | -58.4 | -64.2 | 0 | 0 | 113.5 | I64 P66 I69 I72 V138 K140 S144 R145 R146 F149 | I64-M142 HydrophobicContact CG2-SD 4.31Å; P66-M142 HydrophobicContact CB-CE 3.96Å; P66-M142 HydrophobicContact CB-SD 3.6Å; I69-M142 HydrophobicContact CB-CE 3.9Å; I69-M142 HydrophobicContact CG2-CE 4.03Å; I69-M142 WeakPolarHBondContact O-CE 3.2Å; I72-M142 HydrophobicContact CD1-CE 4.41Å; I72-M142 HydrophobicContact CD1-CG 3.6Å; I72-M142 HydrophobicContact CD1-SD 3.94Å; V138-M142 HydrophobicContact CG1-CG 4.43Å; V138-M142 VanDerWaalsContact O-CB 3.26Å; V138-M142 WeakPolarHBondContact O-CB 3.43Å; V138-M142 VanDerWaalsContact O-CG 3.31Å; V138-M142 WeakPolarHBondContact O-CG 3.46Å; V138-M142 PolarHBondContact O-N 2.83Å; K140-M142 VanDerWaalsContact C-N 3.28Å; K140-M142 PolarHBondContact O-N 2.83Å; M142-S144 PolarHBondContact O-N 2.89Å; M142-S144 VanDerWaalsContact O-N 3.15Å; M142-R145 HydrophobicContact CE-CB 4.32Å; M142-R145 CarbonylContact O-C 3.52Å; M142-R145 WeakPolarHBondContact O-CA 3.49Å; M142-R145 PolarHBondContact O-N 3.21Å; M142-R146 PolarHBondContact O-N 2.94Å; M142-F149 HydrophobicContact CB-CD1 3.83Å; M142-F149 HydrophobicContact CB-CE1 3.3Å; M142-F149 HydrophobicContact CB-CE2 4.07Å; M142-F149 HydrophobicContact CB-CG 4.42Å; M142-F149 HydrophobicContact CB-CZ 3.42Å; M142-F149 VanDerWaalsContact CB-CZ 3.42Å; M142-F149 HydrophobicContact CE-CB 4.12Å; M142-F149 HydrophobicContact CE-CD1 4.14Å; M142-F149 HydrophobicContact CE-CD2 4.41Å; M142-F149 HydrophobicContact CE-CG 3.96Å; M142-F149 HydrophobicContact CG-CD1 4.42Å; M142-F149 HydrophobicContact CG-CD2 4.34Å; M142-F149 HydrophobicContact CG-CE1 4.12Å; M142-F149 HydrophobicContact CG-CE2 4.01Å; M142-F149 HydrophobicContact CG-CZ 3.89Å |
| 143 | E | 98.2 | Very high | 98.5 | Very high | 103 Ų | 103 | 31.7 Ų | 31.7 | 48% | 0.481 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -52.7 | -39.4 | -177.3 | 177.9 | 172.9 | -141.7 | 0 | 0 | 112.6 | A139 K140 V141 R145 R146 | A139-E143 PolarHBondContact O-N 3.35Å; K140-E143 IonicContact NZ-OE2 3Å; K140-E143 PolarHBondContact NZ-OE2 3.21Å; K140-E143 WeakPolarHBondContact O-CB 3.42Å; K140-E143 PolarHBondContact O-N 2.99Å; V141-E143 VanDerWaalsContact C-N 3.32Å; E143-R145 PolarHBondContact O-N 3.34Å; E143-R145 VanDerWaalsContact O-N 3.15Å; E143-R146 WeakPolarHBondContact O-CB 3.49Å; E143-R146 PolarHBondContact O-N 3.23Å |
| 144 | S | 98.2 | Very high | 98.5 | Very high | 88 Ų | 88 | 31.7 Ų | 31.7 | 62% | 0.615 | 17% | 0.173 | S | C | * | . | G | 310 helix | trans | -64.6 | -14.2 | 176.6 | 62.1 | 0 | 0 | 0 | 0 | 115 | M142 | M142-S144 PolarHBondContact O-N 2.89Å; M142-S144 VanDerWaalsContact O-N 3.15Å |
| 145 | R | 98.2 | Very high | 98.5 | Very high | 34 Ų | 34 | 31.7 Ų | 31.7 | 13% | 0.128 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -122.6 | 22.4 | 179.2 | -65.6 | -158.7 | 68.6 | -167.8 | -5.9 | 112.3 | P66 I69 D70 M142 E143 G147 E148 F149 | P66-R145 WeakPolarHBondContact O-CD 3.17Å; P66-R145 PolarHBondContact O-NH1 2.71Å; I69-R145 PolarHBondContact O-NH1 3.39Å; D70-R145 IonicContact OD1-CZ 3.77Å; D70-R145 VanDerWaalsContact OD1-CZ 3.3Å; D70-R145 IonicContact OD1-NH1 3.97Å; D70-R145 PolarHBondContact OD1-NH1 3.29Å; D70-R145 IonicContact OD1-NH2 3.33Å; D70-R145 PolarHBondContact OD1-NH2 3.06Å; M142-R145 HydrophobicContact CE-CB 4.32Å; M142-R145 CarbonylContact O-C 3.52Å; M142-R145 WeakPolarHBondContact O-CA 3.49Å; M142-R145 PolarHBondContact O-N 3.21Å; E143-R145 PolarHBondContact O-N 3.34Å; E143-R145 VanDerWaalsContact O-N 3.15Å; R145-G147 PolarHBondContact O-N 3.35Å; R145-G147 VanDerWaalsContact O-N 3.13Å; R145-E148 HydrophobicContact CB-CB 4.36Å; R145-E148 PolarHBondContact NH2-O 3.39Å; R145-E148 WeakPolarHBondContact O-CB 3.4Å; R145-E148 PolarHBondContact O-N 2.93Å; R145-F149 HydrophobicContact CB-CD1 4.43Å; R145-F149 WeakPolarHBondContact O-CD1 3.5Å |
| 146 | R | 97.7 | Very high | 98.5 | Very high | 152 Ų | 152 | 31.7 Ų | 31.7 | 57% | 0.574 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 121.7 | 179.9 | 175.6 | 179 | 175 | 169.6 | 2.3 | 110.7 | Y99 M142 E143 E148 | Y99-R146 VanDerWaalsContact CB-CZ 3.43Å; Y99-R146 HydrophobicContact CD1-CG 4.17Å; Y99-R146 HydrophobicContact CD2-CG 3.91Å; Y99-R146 HydrophobicContact CE1-CB 4.39Å; Y99-R146 HydrophobicContact CE1-CG 4.19Å; Y99-R146 HydrophobicContact CE2-CB 4.34Å; Y99-R146 HydrophobicContact CE2-CG 3.89Å; Y99-R146 HydrophobicContact CG-CG 4.04Å; M142-R146 PolarHBondContact O-N 2.94Å; E143-R146 WeakPolarHBondContact O-CB 3.49Å; E143-R146 PolarHBondContact O-N 3.23Å; R146-E148 VanDerWaalsContact C-N 3.34Å |
| 147 | G | 95.9 | Very high | 98.5 | Very high | 73 Ų | 73 | 31.9 Ų | 31.9 | 75% | 0.753 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.8 | -2.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | R145 | R145-G147 PolarHBondContact O-N 3.35Å; R145-G147 VanDerWaalsContact O-N 3.13Å |
| 148 | E | 98.1 | Very high | 98.4 | Very high | 124 Ų | 124 | 35.1 Ų | 35.1 | 58% | 0.579 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -112.4 | 1.4 | -178.3 | -59.1 | 175.5 | -115.3 | 0 | 0 | 113.4 | R145 R146 | R145-E148 HydrophobicContact CB-CB 4.36Å; R145-E148 PolarHBondContact NH2-O 3.39Å; R145-E148 WeakPolarHBondContact O-CB 3.4Å; R145-E148 PolarHBondContact O-N 2.93Å; R146-E148 VanDerWaalsContact C-N 3.34Å |
| 149 | F | 98.8 | Very high | 98.4 | Very high | 12 Ų | 12 | 35.3 Ų | 35.3 | 5% | 0.053 | 20% | 0.199 | C | C | . | . | trans | -130.6 | 165 | 174.1 | 78.2 | -79.3 | 0 | 0 | 0 | 110.8 | D70 I72 Y99 L101 V138 M142 R145 I151 | D70-F149 CarbonylContact O-C 3.59Å; D70-F149 VanDerWaalsContact O-CA 3.27Å; D70-F149 WeakPolarHBondContact O-CA 3.39Å; I72-F149 HydrophobicContact CD1-CD2 4Å; I72-F149 HydrophobicContact CD1-CE2 4.03Å; I72-F149 HydrophobicContact CG1-CD2 4.41Å; Y99-F149 HydrophobicContact CE2-CE1 4.22Å; Y99-F149 HydrophobicContact CE2-CZ 4.28Å; L101-F149 HydrophobicContact CD2-CE2 3.98Å; L101-F149 HydrophobicContact CD2-CZ 3.5Å; V138-F149 HydrophobicContact CG1-CE2 3.77Å; V138-F149 HydrophobicContact CG1-CZ 4.13Å; M142-F149 HydrophobicContact CB-CD1 3.83Å; M142-F149 HydrophobicContact CB-CE1 3.3Å; M142-F149 HydrophobicContact CB-CE2 4.07Å; M142-F149 HydrophobicContact CB-CG 4.42Å; M142-F149 HydrophobicContact CB-CZ 3.42Å; M142-F149 VanDerWaalsContact CB-CZ 3.42Å; M142-F149 HydrophobicContact CE-CB 4.12Å; M142-F149 HydrophobicContact CE-CD1 4.14Å; M142-F149 HydrophobicContact CE-CD2 4.41Å; M142-F149 HydrophobicContact CE-CG 3.96Å; M142-F149 HydrophobicContact CG-CD1 4.42Å; M142-F149 HydrophobicContact CG-CD2 4.34Å; M142-F149 HydrophobicContact CG-CE1 4.12Å; M142-F149 HydrophobicContact CG-CE2 4.01Å; M142-F149 HydrophobicContact CG-CZ 3.89Å; R145-F149 HydrophobicContact CB-CD1 4.43Å; R145-F149 WeakPolarHBondContact O-CD1 3.5Å; F149-I151 HydrophobicContact CD2-CG2 4.46Å; F149-I151 HydrophobicContact CE2-CG2 4Å | ||
| 150 | T | 98.9 | Very high | 98.3 | Very high | 35 Ų | 35 | 37.8 Ų | 37.8 | 22% | 0.215 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 161.4 | 177.9 | 53.4 | 0 | 0 | 0 | 0 | 111.5 | D70 R71 I72 V102 D104 | D70-T150 PolarHBondContact O-N 3.41Å; D70-T150 PolarHBondContact O-OG1 2.77Å; R71-T150 CarbonylContact C-O 3.44Å; R71-T150 WeakPolarHBondContact CA-O 3.4Å; I72-T150 PolarHBondContact N-O 2.6Å; V102-T150 HydrophobicContact CB-CG2 4.46Å; V102-T150 HydrophobicContact CG1-CG2 4.35Å; V102-T150 CarbonylContact O-C 3.53Å; V102-T150 WeakPolarHBondContact O-CA 3.35Å; D104-T150 HydrophobicContact CB-CG2 4.46Å |
| 151 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 152.8 | 175.1 | 64.9 | 168.3 | 0 | 0 | 0 | 111.9 | I72 I74 Y94 L101 V102 V103 D104 L135 V138 F149 P153 | I72-I151 HydrophobicContact CB-CG2 4.35Å; I72-I151 CarbonylContact O-C 3.58Å; I72-I151 VanDerWaalsContact O-CA 3.23Å; I72-I151 WeakPolarHBondContact O-CA 3.45Å; I74-I151 HydrophobicContact CD1-CB 4.41Å; I74-I151 HydrophobicContact CD1-CG2 4.38Å; Y94-I151 HydrophobicContact CD2-CD1 4.21Å; Y94-I151 HydrophobicContact CG-CD1 4.02Å; L101-I151 HydrophobicContact CB-CD1 3.64Å; L101-I151 HydrophobicContact CB-CG1 4.11Å; L101-I151 HydrophobicContact CB-CG2 4.23Å; L101-I151 HydrophobicContact CD1-CD1 4.21Å; L101-I151 HydrophobicContact CD1-CG2 4.36Å; V102-I151 PolarHBondContact O-N 2.96Å; V103-I151 CarbonylContact C-O 3.59Å; V103-I151 VanDerWaalsContact CA-O 3.32Å; V103-I151 WeakPolarHBondContact CA-O 3.5Å; V103-I151 HydrophobicContact CG2-CG1 4.27Å; D104-I151 PolarHBondContact N-O 2.84Å; L135-I151 HydrophobicContact CD2-CD1 4.05Å; V138-I151 HydrophobicContact CG1-CG2 4.24Å; F149-I151 HydrophobicContact CD2-CG2 4.46Å; F149-I151 HydrophobicContact CE2-CG2 4Å; I151-P153 HydrophobicContact CD1-CG 3.85Å; I151-P153 HydrophobicContact CG1-CG 4.14Å |
| 152 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 88.9 | 172.6 | -173.6 | 0 | 0 | 0 | 0 | 108.4 | R71 I72 F73 I74 D104 T107 L111 I154 | R71-V152 HydrophobicContact CG-CG2 3.89Å; I72-V152 PolarHBondContact O-N 2.86Å; F73-V152 WeakPolarHBondContact CA-O 3.42Å; F73-V152 HydrophobicContact CD1-CB 3.6Å; F73-V152 HydrophobicContact CD1-CG1 3.71Å; F73-V152 HydrophobicContact CD1-CG2 4.12Å; F73-V152 HydrophobicContact CE1-CB 3.87Å; F73-V152 HydrophobicContact CE1-CG1 3.8Å; F73-V152 HydrophobicContact CE1-CG2 3.95Å; F73-V152 HydrophobicContact CG-CB 4.12Å; F73-V152 HydrophobicContact CZ-CG2 4.25Å; I74-V152 PolarHBondContact N-O 3.22Å; D104-V152 HydrophobicContact CB-CG2 3.88Å; T107-V152 HydrophobicContact CG2-CG1 4.23Å; T107-V152 HydrophobicContact CG2-CG2 3.84Å; L111-V152 HydrophobicContact CD1-CG1 3.94Å; V152-I154 HydrophobicContact CG1-CD1 3.97Å; V152-I154 HydrophobicContact CG1-CG1 4Å |
| 153 | P | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 128.2 | 177.1 | -17.6 | 33.9 | 0 | 0 | 0 | 110.9 | Y94 V103 I131 I151 | Y94-P153 HydrophobicContact CD1-CG 4.45Å; Y94-P153 HydrophobicContact CD2-CG 4.11Å; Y94-P153 HydrophobicContact CE1-CB 4.04Å; Y94-P153 HydrophobicContact CE1-CG 3.95Å; Y94-P153 HydrophobicContact CE2-CB 4.24Å; Y94-P153 HydrophobicContact CE2-CG 3.58Å; Y94-P153 VanDerWaalsContact CZ-CG 3.49Å; Y94-P153 WeakPolarHBondContact OH-CB 3.35Å; V103-P153 HydrophobicContact CG2-CG 4.32Å; I131-P153 HydrophobicContact CD1-CB 4.33Å; I131-P153 HydrophobicContact CG2-CB 3.98Å; I151-P153 HydrophobicContact CD1-CG 3.85Å; I151-P153 HydrophobicContact CG1-CG 4.14Å |
| 154 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 116.5 | -177.5 | -55.5 | -176.5 | 0 | 0 | 0 | 109.3 | F73 I74 L75 G76 C86 L88 L111 F117 V152 V156 F171 | F73-I154 HydrophobicContact CD1-CD1 4.06Å; I74-I154 PolarHBondContact O-N 2.98Å; L75-I154 WeakPolarHBondContact CA-O 3.5Å; L75-I154 HydrophobicContact CD1-CB 4.45Å; L75-I154 HydrophobicContact CD1-CD1 4.36Å; L75-I154 HydrophobicContact CG-CB 4.37Å; G76-I154 PolarHBondContact N-O 3.4Å; C86-I154 HydrophobicContact CB-CG2 3.82Å; L88-I154 HydrophobicContact CD2-CG1 4.25Å; L111-I154 HydrophobicContact CD1-CD1 3.93Å; F117-I154 HydrophobicContact CE1-CD1 4.4Å; F117-I154 HydrophobicContact CE1-CG2 4.17Å; V152-I154 HydrophobicContact CG1-CD1 3.97Å; V152-I154 HydrophobicContact CG1-CG1 4Å; I154-V156 HydrophobicContact CG2-CG2 4.29Å; I154-F171 HydrophobicContact CD1-CE1 3.31Å; I154-F171 HydrophobicContact CD1-CZ 3.38Å; I154-F171 HydrophobicContact CG2-CZ 4.3Å |
| 155 | L | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 124.3 | 170.8 | -169.4 | 64.7 | 0 | 0 | 0 | 109.3 | G76 P77 V81 L83 C86 A87 M120 T124 E128 | G76-L155 CarbonylContact O-C 3.44Å; P77-L155 WeakPolarHBondContact O-CD1 3.06Å; V81-L155 HydrophobicContact CG2-CD2 4.17Å; L83-L155 HydrophobicContact CD2-CB 4.34Å; L83-L155 HydrophobicContact CD2-CD2 4.1Å; L83-L155 HydrophobicContact CD2-CG 4.04Å; C86-L155 CarbonylContact C-O 3.56Å; C86-L155 WeakPolarHBondContact CA-O 3.23Å; A87-L155 HydrophobicContact CB-CB 4.27Å; A87-L155 PolarHBondContact N-O 2.92Å; A87-L155 PolarHBondContact O-N 3.31Å; M120-L155 HydrophobicContact CG-CB 4.08Å; M120-L155 HydrophobicContact CG-CD2 4.08Å; M120-L155 HydrophobicContact SD-CB 3.6Å; M120-L155 VanDerWaalsContact SD-CB 3.6Å; M120-L155 HydrophobicContact SD-CD2 3.96Å; M120-L155 HydrophobicContact SD-CG 4.3Å; T124-L155 HydrophobicContact CG2-CD2 4.03Å; E128-L155 HydrophobicContact CB-CD1 4.44Å; E128-L155 HydrophobicContact CG-CD1 3.63Å |
| 156 | V | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 117.2 | -177.7 | -173.4 | 0 | 0 | 0 | 0 | 109.1 | L75 G76 P77 S78 I154 L159 H245 P246 V249 | L75-V156 HydrophobicContact CB-CG2 4.1Å; L75-V156 HydrophobicContact CG-CG2 4.25Å; G76-V156 PolarHBondContact O-N 3.14Å; P77-V156 CarbonylContact C-O 3.39Å; P77-V156 WeakPolarHBondContact CA-O 3.47Å; S78-V156 PolarHBondContact N-O 2.9Å; I154-V156 HydrophobicContact CG2-CG2 4.29Å; V156-L159 HydrophobicContact CG1-CD1 3.73Å; V156-L159 HydrophobicContact CG1-CG 4.26Å; V156-H245 HydrophobicContact CG1-CB 3.91Å; V156-P246 HydrophobicContact CB-CG 3.82Å; V156-P246 HydrophobicContact CG1-CG 4.23Å; V156-P246 HydrophobicContact CG2-CB 4.47Å; V156-P246 HydrophobicContact CG2-CG 4.01Å; V156-V249 HydrophobicContact CG1-CG2 4.42Å |
| 157 | G | 98.5 | Very high | 98.3 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | trans | -80.6 | -165.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L83 G85 L159 H245 | L83-G157 CarbonylContact O-C 3.55Å; L83-G157 WeakPolarHBondContact O-CA 3.29Å; G85-G157 WeakPolarHBondContact O-CA 3.32Å; G85-G157 PolarHBondContact O-N 3.44Å; G157-L159 PolarHBondContact O-N 2.92Å; G157-H245 VanDerWaalsContact O-CB 3.32Å; G157-H245 WeakPolarHBondContact O-CB 3.22Å | ||
| 158 | S | 97.7 | Very high | 98.4 | Very high | 69 Ų | 69 | 31.3 Ų | 31.3 | 48% | 0.483 | 19% | 0.185 | S | C | . | . | trans | -76.2 | 108 | 172.3 | -66.9 | 0 | 0 | 0 | 0 | 110 | L83 | L83-S158 PolarHBondContact O-N 3.46Š| ||
| 159 | L | 98 | Very high | 98.4 | Very high | 7 Ų | 7 | 32.2 Ų | 32.2 | 4% | 0.037 | 18% | 0.183 | C | C | . | . | trans | -107.9 | 130.4 | -173.7 | -58.5 | -178.2 | 0 | 0 | 0 | 112.1 | V156 G157 R163 Q164 Y167 H245 V249 | V156-L159 HydrophobicContact CG1-CD1 3.73Å; V156-L159 HydrophobicContact CG1-CG 4.26Å; G157-L159 PolarHBondContact O-N 2.92Å; L159-R163 HydrophobicContact CB-CB 4.25Å; L159-R163 HydrophobicContact CD2-CB 4.22Å; L159-Q164 HydrophobicContact CB-CG 3.67Å; L159-Q164 HydrophobicContact CD1-CG 4.41Å; L159-Q164 PolarHBondContact O-NE2 2.84Å; L159-Y167 HydrophobicContact CD1-CD2 3.7Å; L159-Y167 HydrophobicContact CD1-CE2 4.11Å; L159-Y167 HydrophobicContact CD2-CD2 4.16Å; L159-Y167 HydrophobicContact CD2-CE2 3.73Å; L159-H245 PolarHBondContact N-ND1 3.36Å; L159-V249 HydrophobicContact CD1-CG2 3.41Å; L159-V249 VanDerWaalsContact CD1-CG2 3.41Å | ||
| 160 | S | 96.8 | Very high | 98.4 | Very high | 51 Ų | 51 | 32.6 Ų | 32.6 | 36% | 0.357 | 19% | 0.185 | S | C | . | . | trans | -65.1 | 156.4 | 165.2 | 73 | 0 | 0 | 0 | 0 | 110.7 | S162 R163 Q164 | S160-S162 PolarHBondContact O-N 2.79Å; S160-S162 VanDerWaalsContact O-N 3.15Å; S160-S162 PolarHBondContact OG-OG 2.9Å; S160-R163 WeakPolarHBondContact O-CA 3.3Å; S160-R163 PolarHBondContact O-N 2.91Å; S160-R163 PolarHBondContact OG-N 3.03Å; S160-Q164 WeakPolarHBondContact O-CG 3.39Å; S160-Q164 PolarHBondContact O-N 3.04Å | ||
| 161 | P | 97 | Very high | 98.4 | Very high | 70 Ų | 70 | 31 Ų | 31 | 46% | 0.455 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -53 | -38.4 | 178.1 | -29.5 | 36.3 | 0 | 0 | 0 | 113.7 | R163 Q164 A165 | P161-R163 PolarHBondContact O-N 2.79Å; P161-Q164 WeakPolarHBondContact O-CB 3.36Å; P161-Q164 PolarHBondContact O-N 2.88Å; P161-A165 PolarHBondContact O-N 2.82Å |
| 162 | S | 97.9 | Very high | 98.4 | Very high | 89 Ų | 89 | 31.4 Ų | 31.4 | 62% | 0.622 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -62.7 | -40 | 175 | 64.5 | 0 | 0 | 0 | 0 | 113.2 | S160 A165 A166 | S160-S162 PolarHBondContact O-N 2.79Å; S160-S162 VanDerWaalsContact O-N 3.15Å; S160-S162 PolarHBondContact OG-OG 2.9Å; S162-A165 PolarHBondContact O-N 2.67Å; S162-A166 PolarHBondContact O-N 3.04Å |
| 163 | R | 98.3 | Very high | 98.3 | Very high | 117 Ų | 117 | 40.1 Ų | 40.1 | 44% | 0.442 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -72.2 | -38.4 | 176 | -74.8 | -175.9 | 168.9 | -106.6 | -8.5 | 111.7 | N84 L159 S160 P161 A165 A166 Y167 | N84-R163 VanDerWaalsContact O-CD 3.29Å; N84-R163 WeakPolarHBondContact O-CD 3.37Å; N84-R163 PolarHBondContact O-NH1 3.33Å; L159-R163 HydrophobicContact CB-CB 4.25Å; L159-R163 HydrophobicContact CD2-CB 4.22Å; S160-R163 WeakPolarHBondContact O-CA 3.3Å; S160-R163 PolarHBondContact O-N 2.91Å; S160-R163 PolarHBondContact OG-N 3.03Å; P161-R163 PolarHBondContact O-N 2.79Å; R163-A165 VanDerWaalsContact C-N 3.3Å; R163-A165 PolarHBondContact O-N 2.78Å; R163-A166 PolarHBondContact O-N 3.09Å; R163-Y167 HydrophobicContact CB-CE2 4.44Å; R163-Y167 WeakPolarHBondContact O-CD2 3.4Å; R163-Y167 PolarHBondContact O-N 3.24Å |
| 164 | Q | 98.6 | Very high | 98.3 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 2% | 0.023 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.3 | -46.9 | 172.9 | -63.8 | 167.8 | 9.2 | 0 | 0 | 110.6 | L159 S160 P161 G168 N231 Q252 | L159-Q164 HydrophobicContact CB-CG 3.67Å; L159-Q164 HydrophobicContact CD1-CG 4.41Å; L159-Q164 PolarHBondContact O-NE2 2.84Å; S160-Q164 WeakPolarHBondContact O-CG 3.39Å; S160-Q164 PolarHBondContact O-N 3.04Å; P161-Q164 WeakPolarHBondContact O-CB 3.36Å; P161-Q164 PolarHBondContact O-N 2.88Å; Q164-G168 PolarHBondContact O-N 3.13Å; Q164-N231 PolarHBondContact OE1-ND2 3.12Å; Q164-N231 PolarHBondContact OE1-OD1 2.8Å; Q164-Q252 HydrophobicContact CB-CG 4.23Å |
| 165 | A | 98.5 | Very high | 98.2 | Very high | 16 Ų | 16 | 41.4 Ų | 41.4 | 13% | 0.132 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.1 | -40.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P161 S162 R163 G168 R169 Y256 | P161-A165 PolarHBondContact O-N 2.82Å; S162-A165 PolarHBondContact O-N 2.67Å; R163-A165 VanDerWaalsContact C-N 3.3Å; R163-A165 PolarHBondContact O-N 2.78Å; A165-G168 PolarHBondContact O-N 2.92Å; A165-R169 PolarHBondContact O-N 3.35Å; A165-Y256 HydrophobicContact CB-CE2 4.41Å; A165-Y256 WeakPolarHBondContact O-CE2 3.12Å |
| 166 | A | 98.6 | Very high | 98.1 | Very high | 50 Ų | 50 | 43.4 Ų | 43.4 | 41% | 0.413 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.8 | -48.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | S162 R163 R169 I170 | S162-A166 PolarHBondContact O-N 3.04Å; R163-A166 PolarHBondContact O-N 3.09Å; A166-R169 PolarHBondContact O-N 3.42Å; A166-I170 PolarHBondContact O-N 3.24Å |
| 167 | Y | 98.9 | Very high | 98 | Very high | 7 Ų | 7 | 45.1 Ų | 45.1 | 3% | 0.027 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67 | -38.6 | 175.1 | -71 | -65.6 | 0 | 0 | 0 | 112.1 | G85 C86 S116 F117 L159 R163 R169 I170 F171 | G85-Y167 WeakPolarHBondContact CA-OH 3.37Å; C86-Y167 HydrophobicContact CB-CD1 4.08Å; C86-Y167 HydrophobicContact CB-CE1 3.63Å; C86-Y167 HydrophobicContact CB-CE2 4.4Å; C86-Y167 PolarHBondContact N-OH 2.7Å; S116-Y167 VanDerWaalsContact O-CE1 3.31Å; S116-Y167 WeakPolarHBondContact O-CE1 3.44Å; S116-Y167 VanDerWaalsContact O-CZ 3.31Å; S116-Y167 PolarHBondContact O-OH 3Å; F117-Y167 HydrophobicContact CD1-CE1 4.41Å; F117-Y167 HydrophobicContact CD2-CE1 4.29Å; F117-Y167 HydrophobicContact CE1-CD1 4.25Å; F117-Y167 HydrophobicContact CE1-CE1 4.13Å; F117-Y167 HydrophobicContact CE2-CD1 4.08Å; F117-Y167 AromaticContact CE2-CE1 4Å; F117-Y167 HydrophobicContact CE2-CE1 4Å; F117-Y167 HydrophobicContact CG-CE1 4.49Å; F117-Y167 AromaticContact CZ-CD1 3.77Å; F117-Y167 HydrophobicContact CZ-CD1 3.77Å; F117-Y167 AromaticContact CZ-CE1 3.92Å; F117-Y167 HydrophobicContact CZ-CE1 3.92Å; L159-Y167 HydrophobicContact CD1-CD2 3.7Å; L159-Y167 HydrophobicContact CD1-CE2 4.11Å; L159-Y167 HydrophobicContact CD2-CD2 4.16Å; L159-Y167 HydrophobicContact CD2-CE2 3.73Å; R163-Y167 HydrophobicContact CB-CE2 4.44Å; R163-Y167 WeakPolarHBondContact O-CD2 3.4Å; R163-Y167 PolarHBondContact O-N 3.24Å; Y167-R169 VanDerWaalsContact C-N 3.29Å; Y167-R169 PolarHBondContact O-N 2.84Å; Y167-I170 HydrophobicContact CD1-CD1 4.46Å; Y167-I170 WeakPolarHBondContact O-CB 3.33Å; Y167-I170 PolarHBondContact O-N 2.92Å; Y167-F171 WeakPolarHBondContact O-CD2 3.39Å; Y167-F171 PolarHBondContact O-N 3.13Å |
| 168 | G | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.5 | -44.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q164 A165 I170 F171 A172 A253 | Q164-G168 PolarHBondContact O-N 3.13Å; A165-G168 PolarHBondContact O-N 2.92Å; G168-I170 VanDerWaalsContact C-N 3.31Å; G168-I170 PolarHBondContact O-N 3.47Å; G168-F171 PolarHBondContact O-N 3.2Å; G168-A172 WeakPolarHBondContact O-CB 3.49Å; G168-A172 PolarHBondContact O-N 3Å; G168-A253 VanDerWaalsContact O-CA 3.28Å; G168-A253 WeakPolarHBondContact O-CA 3.44Å; G168-A253 WeakPolarHBondContact O-CB 3.47Å |
| 169 | R | 98.4 | Very high | 97.9 | Very high | 144 Ų | 144 | 51.6 Ų | 51.6 | 54% | 0.543 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.5 | -36.8 | 175.5 | -176.4 | 179.4 | -73.1 | -134.3 | 0.7 | 113 | A165 A166 Y167 Y256 | A165-R169 PolarHBondContact O-N 3.35Å; A166-R169 PolarHBondContact O-N 3.42Å; Y167-R169 VanDerWaalsContact C-N 3.29Å; Y167-R169 PolarHBondContact O-N 2.84Å; R169-Y256 HydrophobicContact CB-CD1 4.48Å; R169-Y256 HydrophobicContact CB-CD2 3.87Å; R169-Y256 HydrophobicContact CB-CE1 4.42Å; R169-Y256 HydrophobicContact CB-CE2 3.82Å; R169-Y256 HydrophobicContact CB-CG 4.22Å; R169-Y256 VanDerWaalsContact NH2-CE1 3.35Å |
| 170 | I | 98.7 | Very high | 98 | Very high | 20 Ų | 20 | 51.4 Ų | 51.4 | 10% | 0.103 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.3 | -52.1 | 175.9 | -65.4 | 169.3 | 0 | 0 | 0 | 109.6 | L111 T114 F117 A166 Y167 G168 A172 R173 Y174 | L111-I170 HydrophobicContact CD2-CG2 3.7Å; T114-I170 HydrophobicContact CG2-CD1 4.22Å; T114-I170 HydrophobicContact CG2-CG2 4.38Å; F117-I170 HydrophobicContact CE2-CD1 4.02Å; F117-I170 HydrophobicContact CE2-CG2 4.24Å; A166-I170 PolarHBondContact O-N 3.24Å; Y167-I170 HydrophobicContact CD1-CD1 4.46Å; Y167-I170 WeakPolarHBondContact O-CB 3.33Å; Y167-I170 PolarHBondContact O-N 2.92Å; G168-I170 VanDerWaalsContact C-N 3.31Å; G168-I170 PolarHBondContact O-N 3.47Å; I170-A172 VanDerWaalsContact C-N 3.31Å; I170-A172 PolarHBondContact O-N 3.13Å; I170-R173 WeakPolarHBondContact O-CB 3.11Å; I170-R173 PolarHBondContact O-N 3.49Å; I170-Y174 HydrophobicContact CG2-CE2 4.28Å |
| 171 | F | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.5 | -25.9 | -177.7 | -67.3 | -54.5 | 0 | 0 | 0 | 113.9 | F73 L75 L111 F117 I154 Y167 G168 R173 Y174 L175 F182 V249 A253 | F73-F171 HydrophobicContact CD1-CE1 4.41Å; L75-F171 HydrophobicContact CD2-CE2 4.27Å; L111-F171 HydrophobicContact CD2-CE1 4.28Å; F117-F171 AromaticContact CE1-CZ 3.88Å; F117-F171 HydrophobicContact CE1-CZ 3.88Å; F117-F171 HydrophobicContact CZ-CE1 4.16Å; F117-F171 HydrophobicContact CZ-CE2 4.37Å; F117-F171 AromaticContact CZ-CZ 3.69Å; F117-F171 HydrophobicContact CZ-CZ 3.69Å; I154-F171 HydrophobicContact CD1-CE1 3.31Å; I154-F171 HydrophobicContact CD1-CZ 3.38Å; I154-F171 HydrophobicContact CG2-CZ 4.3Å; Y167-F171 WeakPolarHBondContact O-CD2 3.39Å; Y167-F171 PolarHBondContact O-N 3.13Å; G168-F171 PolarHBondContact O-N 3.2Å; F171-R173 PolarHBondContact O-N 3.08Å; F171-Y174 CarbonylContact O-C 3.53Å; F171-Y174 PolarHBondContact O-N 3.25Å; F171-L175 PolarHBondContact O-N 2.86Å; F171-F182 HydrophobicContact CB-CE1 4.1Å; F171-F182 HydrophobicContact CB-CZ 4.31Å; F171-F182 AromaticContact CD1-CE1 3.85Å; F171-F182 HydrophobicContact CD1-CE1 3.85Å; F171-F182 HydrophobicContact CD1-CZ 4.34Å; F171-F182 HydrophobicContact CG-CE1 4.14Å; F171-V249 HydrophobicContact CD2-CG1 3.42Å; F171-V249 VanDerWaalsContact CD2-CG1 3.42Å; F171-V249 HydrophobicContact CE2-CG1 3.7Å; F171-A253 HydrophobicContact CB-CB 3.99Å |
| 172 | A | 98.2 | Very high | 98.1 | Very high | 10 Ų | 10 | 45.6 Ų | 45.6 | 8% | 0.083 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.7 | -33.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G168 I170 Y174 L175 A176 A253 | G168-A172 WeakPolarHBondContact O-CB 3.49Å; G168-A172 PolarHBondContact O-N 3Å; I170-A172 VanDerWaalsContact C-N 3.31Å; I170-A172 PolarHBondContact O-N 3.13Å; A172-Y174 VanDerWaalsContact C-N 3.34Å; A172-L175 PolarHBondContact O-N 3.1Å; A172-A176 PolarHBondContact O-N 3.22Å; A172-A253 HydrophobicContact CB-CB 4.5Å; A172-A253 WeakPolarHBondContact CB-O 3.4Å |
| 173 | R | 97.3 | Very high | 98.2 | Very high | 183 Ų | 183 | 41.4 Ų | 41.4 | 69% | 0.691 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -65.1 | -39.9 | 176 | -61.2 | 177.8 | 178.4 | 179.2 | -2 | 111.8 | I170 F171 | I170-R173 WeakPolarHBondContact O-CB 3.11Å; I170-R173 PolarHBondContact O-N 3.49Å; F171-R173 PolarHBondContact O-N 3.08Å |
| 174 | Y | 98.4 | Very high | 98.2 | Very high | 26 Ų | 26 | 35.9 Ų | 35.9 | 10% | 0.102 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -76.5 | -35.4 | 176.5 | -66.3 | -76.9 | 0 | 0 | 0 | 111.4 | F73 T107 E110 L111 I170 F171 A172 A176 D177 N180 | F73-Y174 HydrophobicContact CE1-CD1 4.3Å; F73-Y174 HydrophobicContact CE1-CG 4.17Å; F73-Y174 HydrophobicContact CE2-CD1 4.23Å; F73-Y174 HydrophobicContact CE2-CG 4.28Å; F73-Y174 AromaticContact CZ-CD1 3.47Å; F73-Y174 HydrophobicContact CZ-CD1 3.47Å; F73-Y174 VanDerWaalsContact CZ-CD1 3.47Å; F73-Y174 HydrophobicContact CZ-CD2 4.34Å; F73-Y174 HydrophobicContact CZ-CE1 4.14Å; F73-Y174 AromaticContact CZ-CG 3.59Å; F73-Y174 HydrophobicContact CZ-CG 3.59Å; T107-Y174 HydrophobicContact CG2-CD1 4.43Å; T107-Y174 HydrophobicContact CG2-CE1 3.79Å; E110-Y174 VanDerWaalsContact CB-OH 3.25Å; E110-Y174 WeakPolarHBondContact CB-OH 3.46Å; E110-Y174 PolarHBondContact OE2-OH 2.92Å; L111-Y174 HydrophobicContact CD2-CD2 4.33Å; L111-Y174 HydrophobicContact CD2-CE2 3.51Å; L111-Y174 HydrophobicContact CG-CE2 4.35Å; I170-Y174 HydrophobicContact CG2-CE2 4.28Å; F171-Y174 CarbonylContact O-C 3.53Å; F171-Y174 PolarHBondContact O-N 3.25Å; A172-Y174 VanDerWaalsContact C-N 3.34Å; Y174-A176 PolarHBondContact O-N 3.38Å; Y174-D177 PolarHBondContact O-N 2.97Å; Y174-N180 WeakPolarHBondContact O-CB 3.31Å; Y174-N180 PolarHBondContact O-ND2 3.07Å |
| 175 | L | 97.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.5 | -29.3 | 173.1 | -172.1 | 64.5 | 0 | 0 | 0 | 112.1 | R41 V42 F171 A172 D177 F182 M250 F257 I295 | R41-L175 HydrophobicContact CB-CD1 4.47Å; R41-L175 PolarHBondContact NH1-O 3.44Å; R41-L175 PolarHBondContact NH2-O 3.38Å; V42-L175 HydrophobicContact CG2-CD1 3.81Å; F171-L175 PolarHBondContact O-N 2.86Å; A172-L175 PolarHBondContact O-N 3.1Å; L175-D177 VanDerWaalsContact C-N 3.3Å; L175-D177 PolarHBondContact O-N 3.49Å; L175-F182 HydrophobicContact CB-CE2 4.21Å; L175-F182 HydrophobicContact CD1-CD2 4Å; L175-F182 HydrophobicContact CD1-CE2 4.2Å; L175-M250 HydrophobicContact CD1-CE 3.98Å; L175-M250 HydrophobicContact CD2-CE 3.62Å; L175-M250 HydrophobicContact CG-CE 4.24Å; L175-F257 HydrophobicContact CD2-CB 3.84Å; L175-F257 HydrophobicContact CD2-CD1 4.49Å; L175-F257 HydrophobicContact CD2-CG 4.03Å; L175-F257 HydrophobicContact CG-CD2 4.44Å; L175-F257 HydrophobicContact CG-CG 4.4Å; L175-I295 HydrophobicContact CD1-CD1 3.97Å; L175-I295 HydrophobicContact CD2-CD1 4.23Å; L175-I295 HydrophobicContact CG-CD1 3.91Å |
| 176 | A | 96 | Very high | 98.3 | Very high | 42 Ų | 42 | 34.9 Ų | 34.9 | 35% | 0.347 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -24.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A172 Y174 P178 F257 | A172-A176 PolarHBondContact O-N 3.22Å; Y174-A176 PolarHBondContact O-N 3.38Å; A176-P178 WeakPolarHBondContact O-CD 3.47Å; A176-F257 HydrophobicContact CB-CD2 4.03Å; A176-F257 HydrophobicContact CB-CE2 4.01Å |
| 177 | D | 96.9 | Very high | 98.3 | Very high | 37 Ų | 37 | 32.8 Ų | 32.8 | 20% | 0.198 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -80.9 | 115.2 | 174.7 | -173.4 | -21.9 | 0 | 0 | 0 | 109.7 | R41 Y174 L175 R179 N180 | R41-D177 PolarHBondContact NH2-O 2.87Å; Y174-D177 PolarHBondContact O-N 2.97Å; L175-D177 VanDerWaalsContact C-N 3.3Å; L175-D177 PolarHBondContact O-N 3.49Å; D177-R179 PolarHBondContact O-N 2.82Å; D177-R179 WeakPolarHBondContact OD1-CB 3.22Å; D177-R179 WeakPolarHBondContact OD1-CG 3.3Å; D177-R179 IonicContact OD1-CZ 2.82Å; D177-R179 PolarHBondContact OD1-N 2.84Å; D177-R179 IonicContact OD1-NE 3.45Å; D177-R179 PolarHBondContact OD1-NE 3.46Å; D177-R179 IonicContact OD1-NH2 3.61Å; D177-R179 IonicContact OD2-CZ 3.82Å; D177-R179 IonicContact OD2-NE 3.43Å; D177-R179 PolarHBondContact OD2-NE 3.12Å; D177-R179 IonicContact OD2-NH2 3.79Å; D177-R179 PolarHBondContact OD2-NH2 3.44Å; D177-N180 WeakPolarHBondContact O-CB 3.17Å; D177-N180 PolarHBondContact O-N 3.39Å |
| 178 | P | 96.1 | Very high | 98.3 | Very high | 86 Ų | 86 | 32.5 Ų | 32.5 | 56% | 0.558 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -16.1 | -177 | 26.4 | -35.2 | 0 | 0 | 0 | 113.9 | A176 N180 | A176-P178 WeakPolarHBondContact O-CD 3.47Å; P178-N180 VanDerWaalsContact C-N 3.28Å |
| 179 | R | 98.3 | Very high | 98.3 | Very high | 123 Ų | 123 | 32.5 Ų | 32.5 | 46% | 0.464 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -6.6 | 178.2 | -55 | 169.6 | -61.8 | 161.1 | -0.6 | 113.7 | T68 I69 D70 R71 D177 | T68-R179 VanDerWaalsContact O-CA 3.28Å; T68-R179 WeakPolarHBondContact O-CA 3.31Å; I69-R179 CarbonylContact C-O 3.57Å; I69-R179 WeakPolarHBondContact CA-O 2.78Å; D70-R179 HydrophobicContact CB-CB 4.19Å; D70-R179 PolarHBondContact N-O 3.35Å; D70-R179 WeakPolarHBondContact OD2-CD 3.37Å; D70-R179 IonicContact OD2-NH1 2.96Å; R71-R179 PolarHBondContact N-O 3.46Å; D177-R179 PolarHBondContact O-N 2.82Å; D177-R179 WeakPolarHBondContact OD1-CB 3.22Å; D177-R179 WeakPolarHBondContact OD1-CG 3.3Å; D177-R179 IonicContact OD1-CZ 2.82Å; D177-R179 PolarHBondContact OD1-N 2.84Å; D177-R179 IonicContact OD1-NE 3.45Å; D177-R179 PolarHBondContact OD1-NE 3.46Å; D177-R179 IonicContact OD1-NH2 3.61Å; D177-R179 IonicContact OD2-CZ 3.82Å; D177-R179 IonicContact OD2-NE 3.43Å; D177-R179 PolarHBondContact OD2-NE 3.12Å; D177-R179 IonicContact OD2-NH2 3.79Å; D177-R179 PolarHBondContact OD2-NH2 3.44Å |
| 180 | N | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.011 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 135.7 | 175.2 | -64.6 | -25.1 | 0 | 0 | 0 | 110.6 | R41 R71 F73 Y174 D177 P178 F182 | R41-N180 PolarHBondContact NE-O 2.76Å; R41-N180 VanDerWaalsContact NE-O 3.11Å; R41-N180 PolarHBondContact NH2-O 3.03Å; R71-N180 WeakPolarHBondContact CB-OD1 3.28Å; R71-N180 PolarHBondContact NH1-OD1 3.37Å; R71-N180 WeakPolarHBondContact O-CA 3.49Å; F73-N180 HydrophobicContact CD2-CB 4.4Å; F73-N180 HydrophobicContact CE2-CB 4.04Å; Y174-N180 WeakPolarHBondContact O-CB 3.31Å; Y174-N180 PolarHBondContact O-ND2 3.07Å; D177-N180 WeakPolarHBondContact O-CB 3.17Å; D177-N180 PolarHBondContact O-N 3.39Å; P178-N180 VanDerWaalsContact C-N 3.28Å; N180-F182 HydrophobicContact CB-CE2 4.4Å |
| 181 | C | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 144.1 | 168.2 | 179.9 | 0 | 0 | 0 | 0 | 110 | R41 I69 R71 I72 F73 | R41-C181 CarbonylContact O-C 3.53Å; R41-C181 WeakPolarHBondContact O-CA 3.23Å; I69-C181 HydrophobicContact CD1-CB 3.67Å; I69-C181 HydrophobicContact CG1-CB 4.04Å; I69-C181 HydrophobicContact CG2-CB 3.97Å; R71-C181 PolarHBondContact O-N 3.31Å; I72-C181 CarbonylContact C-O 3.58Å; I72-C181 WeakPolarHBondContact CA-O 3.31Å; I72-C181 HydrophobicContact CG1-CB 4.4Å; F73-C181 PolarHBondContact N-O 2.79Å |
| 182 | F | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 137.4 | 176.3 | -73.9 | -102.7 | 0 | 0 | 0 | 110.9 | R41 V42 I43 F73 L75 F171 L175 N180 M250 | R41-F182 PolarHBondContact O-N 3.2Å; V42-F182 CarbonylContact C-O 3.6Å; V42-F182 VanDerWaalsContact CA-O 3.24Å; V42-F182 WeakPolarHBondContact CA-O 3.25Å; V42-F182 HydrophobicContact CB-CB 4.33Å; V42-F182 HydrophobicContact CG1-CB 4.06Å; V42-F182 HydrophobicContact CG2-CB 4.14Å; I43-F182 PolarHBondContact N-O 2.7Å; F73-F182 HydrophobicContact CB-CD1 3.46Å; F73-F182 VanDerWaalsContact CB-CD1 3.46Å; F73-F182 HydrophobicContact CB-CE1 3.54Å; F73-F182 HydrophobicContact CB-CG 4.03Å; F73-F182 HydrophobicContact CB-CZ 4.17Å; F73-F182 AromaticContact CD1-CE1 4Å; F73-F182 HydrophobicContact CD1-CE1 4Å; F73-F182 HydrophobicContact CD1-CZ 4.27Å; F73-F182 HydrophobicContact CD2-CD1 4.38Å; F73-F182 HydrophobicContact CD2-CD2 4.38Å; F73-F182 AromaticContact CD2-CE1 3.9Å; F73-F182 HydrophobicContact CD2-CE1 3.9Å; F73-F182 AromaticContact CD2-CE2 3.89Å; F73-F182 HydrophobicContact CD2-CE2 3.89Å; F73-F182 AromaticContact CD2-CZ 3.62Å; F73-F182 HydrophobicContact CD2-CZ 3.62Å; F73-F182 HydrophobicContact CE2-CE2 4.35Å; F73-F182 HydrophobicContact CE2-CZ 4.04Å; F73-F182 AromaticContact CG-CD1 3.99Å; F73-F182 HydrophobicContact CG-CD1 3.99Å; F73-F182 AromaticContact CG-CE1 3.54Å; F73-F182 HydrophobicContact CG-CE1 3.54Å; F73-F182 HydrophobicContact CG-CE2 4.39Å; F73-F182 AromaticContact CG-CZ 3.76Å; F73-F182 HydrophobicContact CG-CZ 3.76Å; F73-F182 CarbonylContact O-C 3.47Å; F73-F182 WeakPolarHBondContact O-CA 3.48Å; L75-F182 HydrophobicContact CD1-CD1 3.95Å; L75-F182 HydrophobicContact CD1-CE1 4.38Å; F171-F182 HydrophobicContact CB-CE1 4.1Å; F171-F182 HydrophobicContact CB-CZ 4.31Å; F171-F182 AromaticContact CD1-CE1 3.85Å; F171-F182 HydrophobicContact CD1-CE1 3.85Å; F171-F182 HydrophobicContact CD1-CZ 4.34Å; F171-F182 HydrophobicContact CG-CE1 4.14Å; L175-F182 HydrophobicContact CB-CE2 4.21Å; L175-F182 HydrophobicContact CD1-CD2 4Å; L175-F182 HydrophobicContact CD1-CE2 4.2Å; N180-F182 HydrophobicContact CB-CE2 4.4Å; F182-M250 HydrophobicContact CB-SD 4.01Å; F182-M250 HydrophobicContact CD1-SD 3.79Å; F182-M250 HydrophobicContact CE1-SD 4.45Å; F182-M250 HydrophobicContact CG-SD 3.88Å |
| 183 | I | 99 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 114.1 | 172.6 | -56.9 | 179.2 | 0 | 0 | 0 | 107 | I43 Y61 I72 F73 I74 L75 Q134 V138 | I43-I183 HydrophobicContact CD1-CD1 4.42Å; I43-I183 HydrophobicContact CD1-CG1 4.01Å; I43-I183 HydrophobicContact CD1-CG2 4.11Å; I43-I183 HydrophobicContact CG1-CB 4.16Å; I43-I183 HydrophobicContact CG1-CG1 3.83Å; I43-I183 HydrophobicContact CG1-CG2 4.07Å; Y61-I183 HydrophobicContact CE1-CD1 3.8Å; I72-I183 HydrophobicContact CG2-CD1 3.48Å; I72-I183 VanDerWaalsContact CG2-CD1 3.48Å; I72-I183 HydrophobicContact CG2-CG1 3.82Å; F73-I183 PolarHBondContact O-N 2.89Å; I74-I183 WeakPolarHBondContact CA-O 3.32Å; I74-I183 HydrophobicContact CG1-CB 4.48Å; I74-I183 HydrophobicContact CG1-CD1 4.42Å; I74-I183 HydrophobicContact CG2-CB 4.46Å; L75-I183 PolarHBondContact N-O 2.95Å; Q134-I183 HydrophobicContact CB-CG2 4.23Å; Q134-I183 HydrophobicContact CG-CG2 3.88Å; V138-I183 HydrophobicContact CG2-CD1 3.27Å |
| 184 | V | 99 | Very high | 98.2 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 107.4 | 176 | -179.8 | 0 | 0 | 0 | 0 | 107.6 | V42 I43 I44 S45 P246 I247 M250 | V42-V184 HydrophobicContact CG1-CG2 3.91Å; I43-V184 WeakPolarHBondContact O-CB 3.32Å; I43-V184 PolarHBondContact O-N 3.37Å; I44-V184 WeakPolarHBondContact CA-O 3.38Å; I44-V184 HydrophobicContact CG1-CB 4Å; I44-V184 HydrophobicContact CG1-CG1 4.24Å; S45-V184 PolarHBondContact N-O 2.99Å; V184-P246 HydrophobicContact CG1-CB 3.68Å; V184-I247 HydrophobicContact CG1-CB 4.48Å; V184-I247 HydrophobicContact CG1-CG1 3.67Å; V184-M250 HydrophobicContact CG2-CB 3.87Å; V184-M250 HydrophobicContact CG2-CG 3.81Å |
| 185 | S | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 114.6 | -177 | 177.4 | 0 | 0 | 0 | 0 | 110.2 | S45 H47 L75 P77 S130 Q134 | S45-S185 WeakPolarHBondContact O-CA 3.17Å; H47-S185 VanDerWaalsContact CB-OG 3.28Å; H47-S185 WeakPolarHBondContact CB-OG 3.44Å; H47-S185 PolarHBondContact ND1-OG 3.14Å; L75-S185 WeakPolarHBondContact O-CB 3.47Å; L75-S185 PolarHBondContact O-N 3.36Å; P77-S185 VanDerWaalsContact CD-O 3.29Å; P77-S185 WeakPolarHBondContact CD-O 3.4Å; S130-S185 WeakPolarHBondContact O-CB 3.23Å; S130-S185 PolarHBondContact O-OG 2.98Å; Q134-S185 PolarHBondContact NE2-OG 2.99Å |
| 186 | S | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -155.2 | 122.5 | -177.3 | -167.7 | 0 | 0 | 0 | 0 | 113.4 | S45 P46 G243 | S45-S186 PolarHBondContact O-N 3.36Å; P46-S186 WeakPolarHBondContact CA-O 3.36Å; S186-G243 WeakPolarHBondContact OG-CA 3.44Å; S186-G243 PolarHBondContact OG-N 2.87Å | ||
| 187 | D | 98.8 | Very high | 98.2 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.037 | 18% | 0.179 | C | C | . | . | trans | -78.2 | 154.9 | 150.9 | -67.9 | -8.8 | 0 | 0 | 0 | 110.3 | P46 H47 A48 C242 V286 Y288 | P46-D187 WeakPolarHBondContact CA-OD1 3.36Å; P46-D187 WeakPolarHBondContact CB-OD1 3.41Å; H47-D187 IonicContact CD2-OD1 2.78Å; H47-D187 PolarHBondContact CD2-OD1 3.43Å; H47-D187 IonicContact CD2-OD2 3.15Å; H47-D187 PolarHBondContact CD2-OD2 3.15Å; H47-D187 VanDerWaalsContact CD2-OD2 3.25Å; H47-D187 IonicContact CG-OD1 3.16Å; H47-D187 PolarHBondContact N-OD1 2.96Å; H47-D187 PolarHBondContact NE2-N 2.85Å; H47-D187 IonicContact NE2-OD1 2.69Å; H47-D187 IonicContact NE2-OD2 3.9Å; A48-D187 PolarHBondContact N-OD1 3Å; D187-C242 HydrophobicContact CB-CB 4.19Å; D187-C242 PolarHBondContact O-N 3.38Å; D187-V286 HydrophobicContact CB-CG1 3.83Å; D187-Y288 HydrophobicContact CB-CD1 4.46Å; D187-Y288 WeakPolarHBondContact OD1-CD1 3.22Å | ||
| 188 | F | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -95.5 | -136.9 | -178.4 | -87.9 | -119.2 | 0 | 0 | 0 | 110 | I44 H190 D215 A218 M219 I222 I241 F269 S287 A289 | I44-F188 HydrophobicContact CG2-CE2 4.19Å; F188-H190 PolarHBondContact O-CD2 3.32Å; F188-H190 PolarHBondContact O-N 3.14Å; F188-D215 HydrophobicContact CD1-CB 4.19Å; F188-A218 HydrophobicContact CE1-CB 4.36Å; F188-M219 HydrophobicContact CE1-CG 3.73Å; F188-M219 HydrophobicContact CZ-CG 4.27Å; F188-I222 HydrophobicContact CE1-CD1 4.4Å; F188-I222 HydrophobicContact CZ-CD1 4.13Å; F188-I241 HydrophobicContact CD1-CD1 4.19Å; F188-I241 HydrophobicContact CD1-CG1 4.37Å; F188-I241 HydrophobicContact CE1-CD1 4.36Å; F188-F269 HydrophobicContact CE1-CZ 4.45Å; F188-F269 HydrophobicContact CE2-CE1 4.26Å; F188-F269 AromaticContact CZ-CE1 3.76Å; F188-F269 HydrophobicContact CZ-CE1 3.76Å; F188-F269 AromaticContact CZ-CZ 3.69Å; F188-F269 HydrophobicContact CZ-CZ 3.69Å; F188-S287 PolarHBondContact N-O 3.07Å; F188-A289 HydrophobicContact CD2-CB 3.92Å; F188-A289 HydrophobicContact CE1-CB 4.32Å; F188-A289 HydrophobicContact CE2-CB 3.73Å; F188-A289 HydrophobicContact CG-CB 4.32Å; F188-A289 HydrophobicContact CZ-CB 3.94Å | ||
| 189 | C | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -59.2 | 123.9 | -175.9 | -176.5 | 0 | 0 | 0 | 0 | 112.3 | I211 D215 N239 V286 S287 | C189-I211 HydrophobicContact CB-CG2 3.91Å; C189-D215 VanDerWaalsContact CB-OD1 3.3Å; C189-D215 WeakPolarHBondContact CB-OD1 3.39Å; C189-D215 WeakPolarHBondContact CB-OD2 3.39Å; C189-D215 PolarHBondContact N-OD1 2.77Å; C189-N239 WeakPolarHBondContact CA-OD1 3.24Å; C189-N239 WeakPolarHBondContact CB-OD1 3.47Å; C189-V286 VanDerWaalsContact O-CA 3.31Å; C189-V286 WeakPolarHBondContact O-CA 3.31Å; C189-S287 PolarHBondContact O-N 3.2Å | ||
| 190 | H | 98.6 | Very high | 98.2 | Very high | 35 Ų | 35 | 37.2 Ų | 37.2 | 16% | 0.162 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 98.4 | 163 | -70.1 | -114.5 | 0 | 0 | 0 | 108.3 | F188 F195 T240 | F188-H190 PolarHBondContact O-CD2 3.32Å; F188-H190 PolarHBondContact O-N 3.14Å; H190-F195 VanDerWaalsContact C-CD2 3.49Å; H190-F195 HydrophobicContact CB-CB 4.06Å; H190-F195 HydrophobicContact CB-CD1 3.87Å; H190-F195 HydrophobicContact CB-CD2 3.75Å; H190-F195 HydrophobicContact CB-CE1 4.1Å; H190-F195 HydrophobicContact CB-CE2 3.96Å; H190-F195 HydrophobicContact CB-CG 3.66Å; H190-F195 HydrophobicContact CB-CZ 4.09Å; H190-F195 AromaticContact ND1-CD1 4Å; H190-F195 AromaticContact ND1-CE1 3.45Å; H190-F195 WeakPolarHBondContact ND1-CE1 3.22Å; H190-F195 AromaticContact ND1-CZ 3.55Å; H190-F195 WeakPolarHBondContact O-CB 3.42Å; H190-T240 WeakPolarHBondContact CA-OG1 3.38Å; H190-T240 PolarHBondContact N-OG1 3.01Å; H190-T240 PolarHBondContact O-OG1 3.43Å |
| 191 | W | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 41 Ų | 41 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 138.5 | -175.3 | -168.1 | 98.3 | 0 | 0 | 0 | 112.4 | F195 F197 T198 T199 I207 I211 C278 I281 D283 S284 S285 | W191-F195 WeakPolarHBondContact O-CD2 3.49Å; W191-F197 AromaticContact CD1-CD1 3.95Å; W191-T198 HydrophobicContact CZ2-CG2 4.39Å; W191-T199 PolarHBondContact NE1-O 2.94Å; W191-I207 HydrophobicContact CD2-CG2 4.1Å; W191-I207 HydrophobicContact CE3-CG2 4.14Å; W191-I207 HydrophobicContact CH2-CD1 3.95Å; W191-I207 HydrophobicContact CH2-CG2 3.51Å; W191-I207 HydrophobicContact CZ2-CD1 4.41Å; W191-I207 HydrophobicContact CZ2-CG2 3.42Å; W191-I207 VanDerWaalsContact CZ2-CG2 3.42Å; W191-I207 HydrophobicContact CZ3-CG2 3.88Å; W191-I211 HydrophobicContact CB-CD1 3.56Å; W191-I211 HydrophobicContact CB-CG1 4.03Å; W191-I211 HydrophobicContact CD2-CD1 3.7Å; W191-I211 HydrophobicContact CD2-CG1 4.29Å; W191-I211 HydrophobicContact CE3-CD1 4.17Å; W191-I211 HydrophobicContact CG-CD1 3.4Å; W191-I211 VanDerWaalsContact CG-CD1 3.4Å; W191-I211 HydrophobicContact CG-CG1 3.71Å; W191-C278 HydrophobicContact CE3-CB 4.27Å; W191-C278 HydrophobicContact CZ3-CB 4.11Å; W191-I281 HydrophobicContact CH2-CD1 3.73Å; W191-I281 HydrophobicContact CZ2-CD1 4.03Å; W191-D283 WeakPolarHBondContact CZ3-O 3.44Å; W191-S284 CarbonylContact O-C 3.5Å; W191-S284 WeakPolarHBondContact O-CA 3.31Å; W191-S284 VanDerWaalsContact O-CB 3.24Å; W191-S284 WeakPolarHBondContact O-CB 3.29Å; W191-S285 PolarHBondContact N-O 3.24Å; W191-S285 PolarHBondContact O-N 3.01Å |
| 192 | G | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | 129.9 | 164.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | R194 F195 Q196 F197 | G192-R194 PolarHBondContact O-N 3.48Å; G192-R194 VanDerWaalsContact O-N 3.14Å; G192-F195 PolarHBondContact O-N 3.13Å; G192-Q196 PolarHBondContact O-N 2.64Å; G192-F197 PolarHBondContact N-O 2.74Å; G192-F197 PolarHBondContact O-N 3.45Å |
| 193 | H | 97.8 | Very high | 97.9 | Very high | 118 Ų | 118 | 53.8 Ų | 53.8 | 55% | 0.546 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -54.8 | -36 | -178.7 | -80.3 | -66.5 | 0 | 0 | 0 | 113.4 | F195 Q196 I281 | H193-F195 PolarHBondContact O-N 3.25Å; H193-Q196 PolarHBondContact O-N 3.18Å; H193-I281 PolarHBondContact CD2-O 3.17Å; H193-I281 VanDerWaalsContact CD2-O 3.27Å; H193-I281 WeakPolarHBondContact NE2-CG1 3.45Å |
| 194 | R | 97.1 | Very high | 97.8 | Very high | 161 Ų | 161 | 55.9 Ų | 55.9 | 61% | 0.608 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -63.4 | -19.8 | 178 | 73 | 177.7 | -179.6 | 114.5 | -5.8 | 114.2 | G192 S284 | G192-R194 PolarHBondContact O-N 3.48Å; G192-R194 VanDerWaalsContact O-N 3.14Å; R194-S284 PolarHBondContact NE-OG 2.97Å |
| 195 | F | 97.3 | Very high | 97.6 | Very high | 53 Ų | 53 | 57.7 Ų | 57.7 | 23% | 0.232 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -105.4 | 3.8 | 176.5 | -57.5 | -60.5 | 0 | 0 | 0 | 112.8 | H190 W191 G192 H193 F197 V286 | H190-F195 VanDerWaalsContact C-CD2 3.49Å; H190-F195 HydrophobicContact CB-CB 4.06Å; H190-F195 HydrophobicContact CB-CD1 3.87Å; H190-F195 HydrophobicContact CB-CD2 3.75Å; H190-F195 HydrophobicContact CB-CE1 4.1Å; H190-F195 HydrophobicContact CB-CE2 3.96Å; H190-F195 HydrophobicContact CB-CG 3.66Å; H190-F195 HydrophobicContact CB-CZ 4.09Å; H190-F195 AromaticContact ND1-CD1 4Å; H190-F195 AromaticContact ND1-CE1 3.45Å; H190-F195 WeakPolarHBondContact ND1-CE1 3.22Å; H190-F195 AromaticContact ND1-CZ 3.55Å; H190-F195 WeakPolarHBondContact O-CB 3.42Å; W191-F195 WeakPolarHBondContact O-CD2 3.49Å; G192-F195 PolarHBondContact O-N 3.13Å; H193-F195 PolarHBondContact O-N 3.25Å; F195-F197 PolarHBondContact O-N 2.93Å; F195-V286 HydrophobicContact CE2-CG2 3.91Å; F195-V286 HydrophobicContact CZ-CG2 3.62Å |
| 196 | Q | 97.4 | Very high | 97.6 | Very high | 187 Ų | 187 | 61.5 Ų | 61.5 | 87% | 0.874 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 29.5 | -176.7 | -54.6 | 174.9 | 45.8 | 0 | 0 | 113 | G192 H193 | G192-Q196 PolarHBondContact O-N 2.64Å; H193-Q196 PolarHBondContact O-N 3.18Å |
| 197 | F | 98.1 | Very high | 97.6 | Very high | 14 Ų | 14 | 62 Ų | 62 | 6% | 0.061 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -137.7 | 107.7 | 179.8 | -172.6 | -101.4 | 0 | 0 | 0 | 110.1 | W191 G192 F195 T199 M214 N238 T240 | W191-F197 AromaticContact CD1-CD1 3.95Å; G192-F197 PolarHBondContact N-O 2.74Å; G192-F197 PolarHBondContact O-N 3.45Å; F195-F197 PolarHBondContact O-N 2.93Å; F197-T199 WeakPolarHBondContact CE2-OG1 3.14Å; F197-T199 WeakPolarHBondContact CZ-OG1 3.35Å; F197-M214 HydrophobicContact CE1-CE 4.24Å; F197-M214 HydrophobicContact CE1-SD 4.05Å; F197-M214 HydrophobicContact CZ-CE 4.04Å; F197-M214 HydrophobicContact CZ-SD 3.78Å; F197-N238 HydrophobicContact CE2-CB 4.31Å; F197-N238 WeakPolarHBondContact CE2-O 3.29Å; F197-T240 HydrophobicContact CB-CG2 3.68Å; F197-T240 HydrophobicContact CD1-CG2 4.22Å; F197-T240 HydrophobicContact CD2-CG2 3.86Å; F197-T240 HydrophobicContact CG-CG2 3.66Å |
| 198 | T | 97.6 | Very high | 97.5 | Very high | 51 Ų | 51 | 63.2 Ų | 63.2 | 31% | 0.313 | 32% | 0.318 | S | S | . | . | trans | -131.1 | 27.8 | -177.2 | 53 | 0 | 0 | 0 | 0 | 112 | W191 Y200 I281 | W191-T198 HydrophobicContact CZ2-CG2 4.39Å; T198-Y200 PolarHBondContact O-N 3.43Å; T198-I281 HydrophobicContact CG2-CD1 3.96Å | ||
| 199 | T | 96.7 | Very high | 97.5 | Very high | 67 Ų | 67 | 64.5 Ų | 64.5 | 41% | 0.411 | 33% | 0.329 | S | S | . | . | trans | -55.4 | 128.9 | 174 | -59.6 | 0 | 0 | 0 | 0 | 109.5 | W191 F197 M214 | W191-T199 PolarHBondContact NE1-O 2.94Å; F197-T199 WeakPolarHBondContact CE2-OG1 3.14Å; F197-T199 WeakPolarHBondContact CZ-OG1 3.35Å; T199-M214 HydrophobicContact CG2-CE 3.73Å | ||
| 200 | Y | 97 | Very high | 97.5 | Very high | 84 Ų | 84 | 64.7 Ų | 64.7 | 33% | 0.329 | 33% | 0.33 | S | S | . | . | trans | -146.2 | 112.7 | -176.5 | 172.2 | -149.8 | 0 | 0 | 0 | 110.1 | T198 K202 G205 I207 | T198-Y200 PolarHBondContact O-N 3.43Å; Y200-K202 HydrophobicContact CD1-CG 4.14Å; Y200-K202 HydrophobicContact CE1-CG 3.79Å; Y200-K202 HydrophobicContact CE2-CG 4.45Å; Y200-G205 VanDerWaalsContact CE2-O 3.29Å; Y200-G205 WeakPolarHBondContact CE2-O 3.36Å; Y200-G205 PolarHBondContact OH-O 3.26Å; Y200-I207 HydrophobicContact CD1-CG1 3.9Å; Y200-I207 HydrophobicContact CD2-CG1 4.11Å; Y200-I207 HydrophobicContact CE1-CG1 3.74Å; Y200-I207 HydrophobicContact CE2-CB 4.47Å; Y200-I207 HydrophobicContact CE2-CG1 3.99Å; Y200-I207 HydrophobicContact CG-CG1 4.08Å | ||
| 201 | D | 96.3 | Very high | 97.5 | Very high | 83 Ų | 83 | 63.1 Ų | 63.1 | 44% | 0.444 | 32% | 0.323 | S | S | . | . | trans | -86.8 | 104 | 169.4 | -172.6 | -13 | 0 | 0 | 0 | 109.7 | S203 C204 S210 | D201-S203 PolarHBondContact O-N 3.49Å; D201-S203 VanDerWaalsContact O-N 3.17Å; D201-S203 VanDerWaalsContact OD1-CB 3.25Å; D201-S203 WeakPolarHBondContact OD1-CB 3.17Å; D201-S203 PolarHBondContact OD1-N 2.96Å; D201-S203 PolarHBondContact OD1-OG 3.32Å; D201-S203 PolarHBondContact OD2-OG 2.85Å; D201-C204 WeakPolarHBondContact O-CB 3.43Å; D201-C204 PolarHBondContact O-N 3.36Å; D201-C204 VanDerWaalsContact O-N 3.12Å; D201-S210 PolarHBondContact N-OG 2.83Å | ||
| 202 | K | 95.8 | Very high | 97.5 | Very high | 167 Ų | 167 | 65.4 Ų | 65.4 | 73% | 0.726 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -62.6 | -19.4 | 179.3 | -66.4 | -178.4 | 179.2 | -179.7 | 0 | 113.3 | Y200 C204 G205 | Y200-K202 HydrophobicContact CD1-CG 4.14Å; Y200-K202 HydrophobicContact CE1-CG 3.79Å; Y200-K202 HydrophobicContact CE2-CG 4.45Å; K202-C204 PolarHBondContact O-N 3.01Å; K202-G205 PolarHBondContact O-N 2.84Å |
| 203 | S | 97.5 | Very high | 97.6 | Very high | 101 Ų | 101 | 67.5 Ų | 67.5 | 71% | 0.706 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -68.9 | -20.6 | 177.1 | 74.8 | 0 | 0 | 0 | 0 | 112.4 | D201 G205 | D201-S203 PolarHBondContact O-N 3.49Å; D201-S203 VanDerWaalsContact O-N 3.17Å; D201-S203 VanDerWaalsContact OD1-CB 3.25Å; D201-S203 WeakPolarHBondContact OD1-CB 3.17Å; D201-S203 PolarHBondContact OD1-N 2.96Å; D201-S203 PolarHBondContact OD1-OG 3.32Å; D201-S203 PolarHBondContact OD2-OG 2.85Å; S203-G205 PolarHBondContact O-N 2.87Å |
| 204 | C | 96.5 | Very high | 97.6 | Very high | 44 Ų | 44 | 62.9 Ų | 62.9 | 30% | 0.297 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -78.2 | -1.7 | 174.8 | -57.6 | 0 | 0 | 0 | 0 | 113.9 | D201 K202 A209 | D201-C204 WeakPolarHBondContact O-CB 3.43Å; D201-C204 PolarHBondContact O-N 3.36Å; D201-C204 VanDerWaalsContact O-N 3.12Å; K202-C204 PolarHBondContact O-N 3.01Å; C204-A209 WeakPolarHBondContact O-CB 3.38Å |
| 205 | G | 96.1 | Very high | 97.7 | Very high | 38 Ų | 38 | 55.2 Ų | 55.2 | 39% | 0.392 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 83.8 | -128.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y200 K202 S203 | Y200-G205 VanDerWaalsContact CE2-O 3.29Å; Y200-G205 WeakPolarHBondContact CE2-O 3.36Å; Y200-G205 PolarHBondContact OH-O 3.26Å; K202-G205 PolarHBondContact O-N 2.84Å; S203-G205 PolarHBondContact O-N 2.87Å |
| 206 | E | 97.8 | Very high | 97.8 | Very high | 81 Ų | 81 | 57.9 Ų | 57.9 | 38% | 0.379 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -64.3 | 159 | -176.2 | -61.3 | -79.4 | 105.9 | 0 | 0 | 112.9 | F208 A209 S210 R279 | E206-F208 VanDerWaalsContact C-N 3.34Å; E206-F208 HydrophobicContact CB-CD1 3.63Å; E206-F208 HydrophobicContact CB-CE1 3.33Å; E206-F208 HydrophobicContact CB-CG 4.49Å; E206-F208 HydrophobicContact CB-CZ 3.99Å; E206-F208 HydrophobicContact CG-CD1 4.43Å; E206-F208 HydrophobicContact CG-CE1 3.71Å; E206-F208 HydrophobicContact CG-CZ 4.27Å; E206-F208 PolarHBondContact O-N 3.42Å; E206-A209 WeakPolarHBondContact O-CB 3.4Å; E206-A209 PolarHBondContact O-N 2.91Å; E206-S210 PolarHBondContact O-N 3.38Å; E206-S210 VanDerWaalsContact O-N 3.16Å; E206-R279 WeakPolarHBondContact OE2-CG 3.25Å; E206-R279 IonicContact OE2-CZ 3.84Å; E206-R279 IonicContact OE2-NH1 2.84Å; E206-R279 PolarHBondContact OE2-NH1 3.37Å |
| 207 | I | 98.4 | Very high | 97.8 | Very high | 10 Ų | 10 | 52.3 Ų | 52.3 | 5% | 0.051 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.3 | -47.3 | -178.3 | -66.9 | 166.1 | 0 | 0 | 0 | 111.6 | W191 Y200 A209 S210 I211 C278 | W191-I207 HydrophobicContact CD2-CG2 4.1Å; W191-I207 HydrophobicContact CE3-CG2 4.14Å; W191-I207 HydrophobicContact CH2-CD1 3.95Å; W191-I207 HydrophobicContact CH2-CG2 3.51Å; W191-I207 HydrophobicContact CZ2-CD1 4.41Å; W191-I207 HydrophobicContact CZ2-CG2 3.42Å; W191-I207 VanDerWaalsContact CZ2-CG2 3.42Å; W191-I207 HydrophobicContact CZ3-CG2 3.88Å; Y200-I207 HydrophobicContact CD1-CG1 3.9Å; Y200-I207 HydrophobicContact CD2-CG1 4.11Å; Y200-I207 HydrophobicContact CE1-CG1 3.74Å; Y200-I207 HydrophobicContact CE2-CB 4.47Å; Y200-I207 HydrophobicContact CE2-CG1 3.99Å; Y200-I207 HydrophobicContact CG-CG1 4.08Å; I207-A209 PolarHBondContact O-N 2.85Å; I207-S210 WeakPolarHBondContact O-CB 3.28Å; I207-S210 PolarHBondContact O-N 2.63Å; I207-S210 VanDerWaalsContact O-N 3.08Å; I207-I211 HydrophobicContact CG2-CD1 3.95Å; I207-I211 HydrophobicContact CG2-CG1 4.42Å; I207-I211 WeakPolarHBondContact O-CG1 3.46Å; I207-I211 PolarHBondContact O-N 2.82Å; I207-C278 HydrophobicContact CB-CB 4.22Å; I207-C278 WeakPolarHBondContact CB-O 3.44Å; I207-C278 HydrophobicContact CG2-CB 3.71Å |
| 208 | F | 98.4 | Very high | 97.9 | Very high | 33 Ų | 33 | 51.7 Ų | 51.7 | 15% | 0.145 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.6 | -33.7 | 179.7 | 71.8 | -98.7 | 0 | 0 | 0 | 113.2 | E206 I211 E212 Q274 Q277 C278 R279 | E206-F208 VanDerWaalsContact C-N 3.34Å; E206-F208 HydrophobicContact CB-CD1 3.63Å; E206-F208 HydrophobicContact CB-CE1 3.33Å; E206-F208 HydrophobicContact CB-CG 4.49Å; E206-F208 HydrophobicContact CB-CZ 3.99Å; E206-F208 HydrophobicContact CG-CD1 4.43Å; E206-F208 HydrophobicContact CG-CE1 3.71Å; E206-F208 HydrophobicContact CG-CZ 4.27Å; E206-F208 PolarHBondContact O-N 3.42Å; F208-I211 PolarHBondContact O-N 2.91Å; F208-E212 WeakPolarHBondContact O-CB 3.23Å; F208-E212 PolarHBondContact O-N 2.98Å; F208-Q274 PolarHBondContact O-NE2 2.78Å; F208-Q277 HydrophobicContact CB-CB 4.03Å; F208-Q277 HydrophobicContact CB-CG 4.37Å; F208-Q277 HydrophobicContact CD1-CB 3.94Å; F208-Q277 HydrophobicContact CD2-CG 4.31Å; F208-Q277 HydrophobicContact CG-CB 3.91Å; F208-Q277 HydrophobicContact CG-CG 4.17Å; F208-C278 WeakPolarHBondContact CD1-O 3.45Å; F208-C278 PolarHBondContact N-O 2.91Å; F208-C278 VanDerWaalsContact N-O 3.07Å; F208-R279 HydrophobicContact CD1-CG 4.36Å |
| 209 | A | 98.6 | Very high | 97.9 | Very high | 27 Ų | 27 | 49.7 Ų | 49.7 | 22% | 0.223 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -73.7 | -33.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | C204 E206 I207 E212 A213 | C204-A209 WeakPolarHBondContact O-CB 3.38Å; E206-A209 WeakPolarHBondContact O-CB 3.4Å; E206-A209 PolarHBondContact O-N 2.91Å; I207-A209 PolarHBondContact O-N 2.85Å; A209-E212 PolarHBondContact O-N 2.82Å; A209-A213 WeakPolarHBondContact O-CB 3.31Å; A209-A213 PolarHBondContact O-N 3Å |
| 210 | S | 98.6 | Very high | 98 | Very high | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.028 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.9 | -41.3 | 171.1 | 179.6 | 0 | 0 | 0 | 0 | 112.4 | D201 E206 I207 A213 M214 | D201-S210 PolarHBondContact N-OG 2.83Å; E206-S210 PolarHBondContact O-N 3.38Å; E206-S210 VanDerWaalsContact O-N 3.16Å; I207-S210 WeakPolarHBondContact O-CB 3.28Å; I207-S210 PolarHBondContact O-N 2.63Å; I207-S210 VanDerWaalsContact O-N 3.08Å; S210-A213 PolarHBondContact O-N 2.72Å; S210-M214 PolarHBondContact O-N 3.16Å; S210-M214 VanDerWaalsContact O-N 3.1Å |
| 211 | I | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.8 | -48.8 | 173.8 | -61.5 | 165.2 | 0 | 0 | 0 | 109.7 | C189 W191 I207 F208 A213 M214 D215 S287 | C189-I211 HydrophobicContact CB-CG2 3.91Å; W191-I211 HydrophobicContact CB-CD1 3.56Å; W191-I211 HydrophobicContact CB-CG1 4.03Å; W191-I211 HydrophobicContact CD2-CD1 3.7Å; W191-I211 HydrophobicContact CD2-CG1 4.29Å; W191-I211 HydrophobicContact CE3-CD1 4.17Å; W191-I211 HydrophobicContact CG-CD1 3.4Å; W191-I211 VanDerWaalsContact CG-CD1 3.4Å; W191-I211 HydrophobicContact CG-CG1 3.71Å; I207-I211 HydrophobicContact CG2-CD1 3.95Å; I207-I211 HydrophobicContact CG2-CG1 4.42Å; I207-I211 WeakPolarHBondContact O-CG1 3.46Å; I207-I211 PolarHBondContact O-N 2.82Å; F208-I211 PolarHBondContact O-N 2.91Å; I211-A213 PolarHBondContact O-N 2.81Å; I211-M214 WeakPolarHBondContact O-CB 3.45Å; I211-M214 PolarHBondContact O-N 3.04Å; I211-D215 PolarHBondContact O-N 3.01Å; I211-S287 WeakPolarHBondContact CG2-OG 3.32Å |
| 212 | E | 98.7 | Very high | 98.2 | Very high | 50 Ų | 50 | 44.6 Ų | 44.6 | 23% | 0.234 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.9 | -40.5 | 179.1 | 179.1 | 172.4 | 176.4 | 0 | 0 | 112.5 | F208 A209 M214 D215 R216 Y272 | F208-E212 WeakPolarHBondContact O-CB 3.23Å; F208-E212 PolarHBondContact O-N 2.98Å; A209-E212 PolarHBondContact O-N 2.82Å; E212-M214 VanDerWaalsContact C-N 3.32Å; E212-M214 PolarHBondContact O-N 3.19Å; E212-D215 PolarHBondContact O-N 3.03Å; E212-R216 HydrophobicContact CG-CG 4.16Å; E212-R216 VanDerWaalsContact O-CB 3.27Å; E212-R216 WeakPolarHBondContact O-CB 3.46Å; E212-R216 VanDerWaalsContact O-CG 3.24Å; E212-R216 WeakPolarHBondContact O-CG 3.48Å; E212-R216 PolarHBondContact O-N 3.3Å; E212-R216 IonicContact OE1-CZ 3.86Å; E212-R216 IonicContact OE1-NE 3.04Å; E212-R216 PolarHBondContact OE1-NE 2.69Å; E212-R216 IonicContact OE1-NH2 2.89Å; E212-R216 PolarHBondContact OE1-NH2 3.25Å; E212-Y272 WeakPolarHBondContact CA-OH 3.36Å; E212-Y272 HydrophobicContact CB-CE1 3.98Å; E212-Y272 HydrophobicContact CG-CD1 4.24Å; E212-Y272 HydrophobicContact CG-CE1 3.6Å |
| 213 | A | 98.7 | Very high | 98.4 | Very high | 44 Ų | 44 | 39.9 Ų | 39.9 | 36% | 0.364 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.9 | -42.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A209 S210 I211 E217 | A209-A213 WeakPolarHBondContact O-CB 3.31Å; A209-A213 PolarHBondContact O-N 3Å; S210-A213 PolarHBondContact O-N 2.72Å; I211-A213 PolarHBondContact O-N 2.81Å; A213-E217 PolarHBondContact O-N 3.28Å |
| 214 | M | 98.6 | Very high | 98.4 | Very high | 20 Ų | 20 | 39.6 Ų | 39.6 | 10% | 0.099 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.4 | -45.9 | 177 | -173.2 | -176.7 | -46.8 | 0 | 0 | 111.6 | F197 T199 S210 I211 E212 E217 A218 Y233 T237 N239 | F197-M214 HydrophobicContact CE1-CE 4.24Å; F197-M214 HydrophobicContact CE1-SD 4.05Å; F197-M214 HydrophobicContact CZ-CE 4.04Å; F197-M214 HydrophobicContact CZ-SD 3.78Å; T199-M214 HydrophobicContact CG2-CE 3.73Å; S210-M214 PolarHBondContact O-N 3.16Å; S210-M214 VanDerWaalsContact O-N 3.1Å; I211-M214 WeakPolarHBondContact O-CB 3.45Å; I211-M214 PolarHBondContact O-N 3.04Å; E212-M214 VanDerWaalsContact C-N 3.32Å; E212-M214 PolarHBondContact O-N 3.19Å; M214-E217 PolarHBondContact O-N 3.04Å; M214-A218 PolarHBondContact O-N 3.43Å; M214-Y233 VanDerWaalsContact CG-OH 3.28Å; M214-Y233 WeakPolarHBondContact CG-OH 3.49Å; M214-Y233 PolarHBondContact O-OH 3.35Å; M214-T237 HydrophobicContact CG-CG2 4.48Å; M214-N239 HydrophobicContact CG-CB 4.23Å; M214-N239 HydrophobicContact SD-CB 3.72Å |
| 215 | D | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.8 | -39.3 | 178.4 | -74.8 | -34.6 | 0 | 0 | 0 | 112.1 | F188 C189 I211 E212 E217 A218 M219 N239 Y272 S287 | F188-D215 HydrophobicContact CD1-CB 4.19Å; C189-D215 VanDerWaalsContact CB-OD1 3.3Å; C189-D215 WeakPolarHBondContact CB-OD1 3.39Å; C189-D215 WeakPolarHBondContact CB-OD2 3.39Å; C189-D215 PolarHBondContact N-OD1 2.77Å; I211-D215 PolarHBondContact O-N 3.01Å; E212-D215 PolarHBondContact O-N 3.03Å; D215-E217 VanDerWaalsContact C-N 3.31Å; D215-E217 PolarHBondContact O-N 3.34Å; D215-A218 WeakPolarHBondContact O-CA 3.5Å; D215-A218 VanDerWaalsContact O-CB 3.29Å; D215-A218 WeakPolarHBondContact O-CB 3.42Å; D215-A218 PolarHBondContact O-N 3.09Å; D215-A218 VanDerWaalsContact O-N 3.11Å; D215-M219 VanDerWaalsContact O-CG 3.25Å; D215-M219 WeakPolarHBondContact O-CG 3.42Å; D215-M219 PolarHBondContact O-N 2.58Å; D215-N239 PolarHBondContact OD1-ND2 3.39Å; D215-Y272 HydrophobicContact CB-CE2 3.65Å; D215-Y272 PolarHBondContact OD2-OH 2.68Å; D215-S287 WeakPolarHBondContact OD2-CB 3.34Å; D215-S287 PolarHBondContact OD2-OG 2.81Å |
| 216 | R | 98.8 | Very high | 98.6 | Very high | 110 Ų | 110 | 39.8 Ų | 39.8 | 42% | 0.415 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64 | -35.3 | 174.8 | -75.2 | -175.8 | -178.2 | -68.7 | -3 | 112.5 | E212 A218 M219 N220 | E212-R216 HydrophobicContact CG-CG 4.16Å; E212-R216 VanDerWaalsContact O-CB 3.27Å; E212-R216 WeakPolarHBondContact O-CB 3.46Å; E212-R216 VanDerWaalsContact O-CG 3.24Å; E212-R216 WeakPolarHBondContact O-CG 3.48Å; E212-R216 PolarHBondContact O-N 3.3Å; E212-R216 IonicContact OE1-CZ 3.86Å; E212-R216 IonicContact OE1-NE 3.04Å; E212-R216 PolarHBondContact OE1-NE 2.69Å; E212-R216 IonicContact OE1-NH2 2.89Å; E212-R216 PolarHBondContact OE1-NH2 3.25Å; R216-A218 VanDerWaalsContact C-N 3.34Å; R216-M219 HydrophobicContact CG-SD 4.38Å; R216-M219 PolarHBondContact O-N 3.25Å; R216-N220 WeakPolarHBondContact O-CB 3.44Å; R216-N220 PolarHBondContact O-N 3.34Å; R216-N220 PolarHBondContact O-ND2 2.89Å; R216-N220 PolarHBondContact O-OD1 3.48Å |
| 217 | E | 98.8 | Very high | 98.6 | Very high | 70 Ų | 70 | 36 Ų | 36 | 33% | 0.327 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.2 | -44.5 | 171.2 | -176.5 | 178.8 | -154.4 | 0 | 0 | 111 | A213 M214 D215 N220 I221 Y233 R236 | A213-E217 PolarHBondContact O-N 3.28Å; M214-E217 PolarHBondContact O-N 3.04Å; D215-E217 VanDerWaalsContact C-N 3.31Å; D215-E217 PolarHBondContact O-N 3.34Å; E217-N220 PolarHBondContact O-N 2.91Å; E217-I221 HydrophobicContact CG-CD1 4.15Å; E217-I221 VanDerWaalsContact O-CG1 3.31Å; E217-I221 WeakPolarHBondContact O-CG1 3.47Å; E217-I221 PolarHBondContact O-N 3Å; E217-I221 VanDerWaalsContact O-N 3.14Å; E217-Y233 HydrophobicContact CB-CD2 4.43Å; E217-Y233 HydrophobicContact CB-CE2 3.9Å; E217-Y233 HydrophobicContact CG-CD2 3.82Å; E217-Y233 HydrophobicContact CG-CE2 3.79Å; E217-Y233 WeakPolarHBondContact OE2-CE2 3.31Å; E217-R236 IonicContact OE1-CZ 2.68Å; E217-R236 IonicContact OE1-NH1 2.85Å; E217-R236 PolarHBondContact OE1-NH1 2.85Å; E217-R236 IonicContact OE1-NH2 2.9Å; E217-R236 PolarHBondContact OE1-NH2 3.07Å; E217-R236 IonicContact OE2-CZ 2.78Å; E217-R236 IonicContact OE2-NH1 2.76Å; E217-R236 PolarHBondContact OE2-NH1 2.9Å; E217-R236 VanDerWaalsContact OE2-NH1 3.14Å; E217-R236 IonicContact OE2-NH2 3.3Å; E217-R236 PolarHBondContact OE2-NH2 3.23Å; E217-R236 VanDerWaalsContact OE2-NH2 3.12Å |
| 218 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.8 | -46.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | F188 M214 D215 R216 I221 I222 F230 Y233 I241 | F188-A218 HydrophobicContact CE1-CB 4.36Å; M214-A218 PolarHBondContact O-N 3.43Å; D215-A218 WeakPolarHBondContact O-CA 3.5Å; D215-A218 VanDerWaalsContact O-CB 3.29Å; D215-A218 WeakPolarHBondContact O-CB 3.42Å; D215-A218 PolarHBondContact O-N 3.09Å; D215-A218 VanDerWaalsContact O-N 3.11Å; R216-A218 VanDerWaalsContact C-N 3.34Å; A218-I221 PolarHBondContact O-N 3.26Å; A218-I222 VanDerWaalsContact O-CG1 3.29Å; A218-I222 WeakPolarHBondContact O-CG1 3.46Å; A218-I222 PolarHBondContact O-N 3.43Å; A218-F230 HydrophobicContact CB-CE2 4.33Å; A218-Y233 HydrophobicContact CB-CD1 4.18Å; A218-Y233 HydrophobicContact CB-CE1 3.5Å; A218-Y233 VanDerWaalsContact CB-CE1 3.5Å; A218-Y233 HydrophobicContact CB-CE2 4.16Å; A218-Y233 VanDerWaalsContact CB-CZ 3.48Å; A218-I241 HydrophobicContact CB-CD1 3.68Å |
| 219 | M | 98.9 | Very high | 98.6 | Very high | 9 Ų | 9 | 42.4 Ų | 42.4 | 4% | 0.044 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.2 | -48.6 | 179.8 | -70.3 | 164.5 | 71 | 0 | 0 | 111.1 | F188 D215 R216 I221 I222 E223 F269 Y272 A289 | F188-M219 HydrophobicContact CE1-CG 3.73Å; F188-M219 HydrophobicContact CZ-CG 4.27Å; D215-M219 VanDerWaalsContact O-CG 3.25Å; D215-M219 WeakPolarHBondContact O-CG 3.42Å; D215-M219 PolarHBondContact O-N 2.58Å; R216-M219 HydrophobicContact CG-SD 4.38Å; R216-M219 PolarHBondContact O-N 3.25Å; M219-I221 VanDerWaalsContact C-N 3.27Å; M219-I221 PolarHBondContact O-N 3.49Å; M219-I222 PolarHBondContact O-N 2.85Å; M219-I222 VanDerWaalsContact O-N 3.14Å; M219-E223 WeakPolarHBondContact O-CG 3.5Å; M219-E223 PolarHBondContact O-N 3.29Å; M219-F269 VanDerWaalsContact CA-CE2 3.45Å; M219-F269 HydrophobicContact CB-CD2 3.48Å; M219-F269 VanDerWaalsContact CB-CD2 3.48Å; M219-F269 HydrophobicContact CB-CE2 3.61Å; M219-F269 HydrophobicContact CB-CG 4.12Å; M219-F269 HydrophobicContact CB-CZ 4.33Å; M219-F269 HydrophobicContact CE-CB 3.29Å; M219-F269 HydrophobicContact CE-CD1 3.81Å; M219-F269 HydrophobicContact CE-CD2 3.99Å; M219-F269 HydrophobicContact CE-CG 3.42Å; M219-F269 VanDerWaalsContact CE-CG 3.42Å; M219-F269 HydrophobicContact CG-CD1 4.19Å; M219-F269 HydrophobicContact CG-CD2 3.75Å; M219-F269 HydrophobicContact CG-CE1 4.18Å; M219-F269 HydrophobicContact CG-CE2 3.75Å; M219-F269 HydrophobicContact CG-CG 3.98Å; M219-F269 HydrophobicContact CG-CZ 3.97Å; M219-F269 WeakPolarHBondContact O-CE2 2.95Å; M219-Y272 HydrophobicContact CE-CD2 4.48Å; M219-Y272 HydrophobicContact SD-CD2 3.78Å; M219-Y272 HydrophobicContact SD-CE2 4.47Å; M219-Y272 HydrophobicContact SD-CG 4.4Å; M219-A289 HydrophobicContact CE-CB 4.26Å; M219-A289 HydrophobicContact SD-CB 4.2Å |
| 220 | N | 98.9 | Very high | 98.6 | Very high | 96 Ų | 96 | 41.1 Ų | 41.1 | 51% | 0.513 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.5 | -38.5 | 178.2 | -67.9 | -17.2 | 0 | 0 | 0 | 111.8 | R216 E217 E223 T224 | R216-N220 WeakPolarHBondContact O-CB 3.44Å; R216-N220 PolarHBondContact O-N 3.34Å; R216-N220 PolarHBondContact O-ND2 2.89Å; R216-N220 PolarHBondContact O-OD1 3.48Å; E217-N220 PolarHBondContact O-N 2.91Å; N220-E223 PolarHBondContact O-N 3.38Å; N220-T224 WeakPolarHBondContact O-CG2 3.46Å; N220-T224 PolarHBondContact O-N 2.93Å |
| 221 | I | 98.9 | Very high | 98.6 | Very high | 29 Ų | 29 | 41.7 Ų | 41.7 | 15% | 0.149 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.6 | -39.6 | 176.6 | -68.2 | 169 | 0 | 0 | 0 | 111.5 | E217 A218 M219 E223 T224 A229 F230 Y233 | E217-I221 HydrophobicContact CG-CD1 4.15Å; E217-I221 VanDerWaalsContact O-CG1 3.31Å; E217-I221 WeakPolarHBondContact O-CG1 3.47Å; E217-I221 PolarHBondContact O-N 3Å; E217-I221 VanDerWaalsContact O-N 3.14Å; A218-I221 PolarHBondContact O-N 3.26Å; M219-I221 VanDerWaalsContact C-N 3.27Å; M219-I221 PolarHBondContact O-N 3.49Å; I221-E223 VanDerWaalsContact C-N 3.27Å; I221-E223 PolarHBondContact O-N 3.03Å; I221-T224 PolarHBondContact O-N 3.2Å; I221-T224 PolarHBondContact O-OG1 3.12Å; I221-A229 HydrophobicContact CG2-CB 3.69Å; I221-F230 HydrophobicContact CG2-CB 3.9Å; I221-F230 HydrophobicContact CG2-CD2 4.41Å; I221-F230 VanDerWaalsContact CG2-N 3.33Å; I221-Y233 HydrophobicContact CD1-CD2 3.88Å; I221-Y233 HydrophobicContact CD1-CG 3.95Å |
| 222 | I | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.8 | -37 | 175.2 | -69.4 | 162.9 | 0 | 0 | 0 | 110.4 | I44 F188 A218 M219 T224 L225 F230 I247 L251 F267 F269 | I44-I222 HydrophobicContact CD1-CG2 3.82Å; F188-I222 HydrophobicContact CE1-CD1 4.4Å; F188-I222 HydrophobicContact CZ-CD1 4.13Å; A218-I222 VanDerWaalsContact O-CG1 3.29Å; A218-I222 WeakPolarHBondContact O-CG1 3.46Å; A218-I222 PolarHBondContact O-N 3.43Å; M219-I222 PolarHBondContact O-N 2.85Å; M219-I222 VanDerWaalsContact O-N 3.14Å; I222-T224 PolarHBondContact O-N 3.19Å; I222-L225 PolarHBondContact O-N 3.01Å; I222-F230 HydrophobicContact CD1-CD2 4.23Å; I222-F230 HydrophobicContact CD1-CE2 3.71Å; I222-F230 HydrophobicContact CD1-CZ 4.11Å; I222-F230 HydrophobicContact CG1-CD2 3.78Å; I222-F230 HydrophobicContact CG1-CE2 3.8Å; I222-F230 HydrophobicContact CG1-CG 4.38Å; I222-F230 HydrophobicContact CG1-CZ 4.39Å; I222-I247 HydrophobicContact CD1-CD1 4.24Å; I222-I247 HydrophobicContact CD1-CG2 3.86Å; I222-I247 HydrophobicContact CG1-CG2 3.91Å; I222-L251 HydrophobicContact CG1-CD1 4.47Å; I222-L251 HydrophobicContact CG2-CD2 4.39Å; I222-F267 HydrophobicContact CG2-CD1 4.2Å; I222-F267 HydrophobicContact CG2-CE1 4.15Å; I222-F267 HydrophobicContact CG2-CZ 4.49Å; I222-F269 HydrophobicContact CB-CE2 3.91Å; I222-F269 HydrophobicContact CB-CZ 4.33Å; I222-F269 HydrophobicContact CD1-CE2 4.35Å; I222-F269 HydrophobicContact CD1-CZ 4.05Å; I222-F269 HydrophobicContact CG2-CE2 3.8Å; I222-F269 HydrophobicContact CG2-CZ 3.99Å |
| 223 | E | 98.8 | Very high | 98.6 | Very high | 69 Ų | 69 | 43.7 Ų | 43.7 | 32% | 0.322 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.9 | -25.7 | 175.9 | -74.2 | -179 | 172.1 | 0 | 0 | 113.5 | M219 N220 I221 L225 F267 F269 | M219-E223 WeakPolarHBondContact O-CG 3.5Å; M219-E223 PolarHBondContact O-N 3.29Å; N220-E223 PolarHBondContact O-N 3.38Å; I221-E223 VanDerWaalsContact C-N 3.27Å; I221-E223 PolarHBondContact O-N 3.03Å; E223-L225 PolarHBondContact O-N 3.01Å; E223-F267 HydrophobicContact CG-CD1 4.03Å; E223-F269 HydrophobicContact CG-CD2 3.91Å; E223-F269 HydrophobicContact CG-CE2 4.42Å; E223-F269 PolarHBondContact OE1-N 3.39Å |
| 224 | T | 98.3 | Very high | 98.6 | Very high | 94 Ų | 94 | 42.6 Ų | 42.6 | 58% | 0.577 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -5.6 | 173.5 | 70.8 | 0 | 0 | 0 | 0 | 113.6 | N220 I221 I222 D226 | N220-T224 WeakPolarHBondContact O-CG2 3.46Å; N220-T224 PolarHBondContact O-N 2.93Å; I221-T224 PolarHBondContact O-N 3.2Å; I221-T224 PolarHBondContact O-OG1 3.12Å; I222-T224 PolarHBondContact O-N 3.19Å; T224-D226 PolarHBondContact O-N 3.12Å |
| 225 | L | 98.1 | Very high | 98.5 | Very high | 26 Ų | 26 | 47.9 Ų | 47.9 | 14% | 0.136 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 24.1 | -176.7 | -59.6 | 176.6 | 0 | 0 | 0 | 114.2 | I222 E223 P227 L251 A265 F267 L293 | I222-L225 PolarHBondContact O-N 3.01Å; E223-L225 PolarHBondContact O-N 3.01Å; L225-P227 VanDerWaalsContact O-CD 3.27Å; L225-P227 WeakPolarHBondContact O-CD 3.45Å; L225-L251 HydrophobicContact CD2-CD2 4.14Å; L225-A265 HydrophobicContact CD1-CB 3.61Å; L225-F267 HydrophobicContact CD2-CB 3.83Å; L225-F267 HydrophobicContact CG-CB 4.41Å; L225-L293 HydrophobicContact CD1-CD1 4.22Å; L225-L293 HydrophobicContact CD2-CD1 3.69Å |
| 226 | D | 97.8 | Very high | 98.5 | Very high | 60 Ų | 60 | 54.7 Ų | 54.7 | 32% | 0.321 | 26% | 0.259 | S | S | . | . | trans | -95.6 | 106.7 | -177.9 | -175 | -21.9 | 0 | 0 | 0 | 111.7 | T224 Y228 A229 F230 | T224-D226 PolarHBondContact O-N 3.12Å; D226-Y228 VanDerWaalsContact C-N 3.28Å; D226-Y228 PolarHBondContact O-N 3.09Å; D226-Y228 WeakPolarHBondContact OD1-CA 3.35Å; D226-Y228 WeakPolarHBondContact OD1-CB 3.44Å; D226-Y228 PolarHBondContact OD1-N 3.11Å; D226-A229 HydrophobicContact CB-CB 3.87Å; D226-A229 PolarHBondContact OD1-N 3.45Å; D226-F230 PolarHBondContact O-N 3.37Å | ||
| 227 | P | 97.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.3 | -24.6 | 179.6 | 27.8 | -34.5 | 0 | 0 | 0 | 113.6 | L225 N231 L251 Q252 E255 | L225-P227 VanDerWaalsContact O-CD 3.27Å; L225-P227 WeakPolarHBondContact O-CD 3.45Å; P227-N231 WeakPolarHBondContact O-CB 3.22Å; P227-N231 PolarHBondContact O-N 3.08Å; P227-N231 PolarHBondContact O-ND2 2.64Å; P227-L251 HydrophobicContact CB-CB 3.79Å; P227-Q252 HydrophobicContact CB-CG 3.83Å; P227-Q252 HydrophobicContact CG-CG 4.31Å; P227-E255 HydrophobicContact CG-CB 4.44Å |
| 228 | Y | 98 | Very high | 98.4 | Very high | 149 Ų | 149 | 52.3 Ų | 52.3 | 58% | 0.584 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -79.1 | -46 | -179 | -58.2 | -76.1 | 0 | 0 | 0 | 110.5 | D226 F230 N231 D232 | D226-Y228 VanDerWaalsContact C-N 3.28Å; D226-Y228 PolarHBondContact O-N 3.09Å; D226-Y228 WeakPolarHBondContact OD1-CA 3.35Å; D226-Y228 WeakPolarHBondContact OD1-CB 3.44Å; D226-Y228 PolarHBondContact OD1-N 3.11Å; Y228-F230 VanDerWaalsContact C-N 3.27Å; Y228-F230 PolarHBondContact O-N 3Å; Y228-N231 PolarHBondContact O-N 3.11Å; Y228-D232 PolarHBondContact O-N 3.49Å |
| 229 | A | 98.6 | Very high | 98.4 | Very high | 30 Ų | 30 | 52.5 Ų | 52.5 | 25% | 0.248 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58 | -40.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I221 D226 D232 Y233 | I221-A229 HydrophobicContact CG2-CB 3.69Å; D226-A229 HydrophobicContact CB-CB 3.87Å; D226-A229 PolarHBondContact OD1-N 3.45Å; A229-D232 PolarHBondContact O-N 3.14Å; A229-Y233 WeakPolarHBondContact O-CB 3.47Å; A229-Y233 PolarHBondContact O-N 3.16Å |
| 230 | F | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.8 | -42.1 | 176.9 | -172.6 | -119.7 | 0 | 0 | 0 | 112.4 | A218 I221 I222 D226 Y228 D232 Y233 L234 I241 R244 I247 L251 | A218-F230 HydrophobicContact CB-CE2 4.33Å; I221-F230 HydrophobicContact CG2-CB 3.9Å; I221-F230 HydrophobicContact CG2-CD2 4.41Å; I221-F230 VanDerWaalsContact CG2-N 3.33Å; I222-F230 HydrophobicContact CD1-CD2 4.23Å; I222-F230 HydrophobicContact CD1-CE2 3.71Å; I222-F230 HydrophobicContact CD1-CZ 4.11Å; I222-F230 HydrophobicContact CG1-CD2 3.78Å; I222-F230 HydrophobicContact CG1-CE2 3.8Å; I222-F230 HydrophobicContact CG1-CG 4.38Å; I222-F230 HydrophobicContact CG1-CZ 4.39Å; D226-F230 PolarHBondContact O-N 3.37Å; Y228-F230 VanDerWaalsContact C-N 3.27Å; Y228-F230 PolarHBondContact O-N 3Å; F230-D232 VanDerWaalsContact C-N 3.33Å; F230-D232 PolarHBondContact O-N 3.48Å; F230-Y233 HydrophobicContact CD2-CD1 4.3Å; F230-Y233 HydrophobicContact CE2-CD1 4.25Å; F230-Y233 WeakPolarHBondContact O-CB 3.32Å; F230-Y233 PolarHBondContact O-N 3.47Å; F230-L234 HydrophobicContact CD1-CD1 3.98Å; F230-L234 HydrophobicContact CE1-CD1 3.67Å; F230-L234 HydrophobicContact CE1-CG 4.3Å; F230-L234 HydrophobicContact CE2-CD2 4.46Å; F230-L234 HydrophobicContact CE2-CG 4.42Å; F230-L234 HydrophobicContact CZ-CD1 4.03Å; F230-L234 HydrophobicContact CZ-CD2 4.17Å; F230-L234 HydrophobicContact CZ-CG 4.21Å; F230-L234 WeakPolarHBondContact O-CG 3.41Å; F230-L234 PolarHBondContact O-N 2.95Å; F230-I241 HydrophobicContact CE2-CD1 4.1Å; F230-I241 HydrophobicContact CZ-CD1 4.15Å; F230-R244 HydrophobicContact CE1-CB 4.39Å; F230-R244 HydrophobicContact CZ-CB 4.48Å; F230-I247 HydrophobicContact CD1-CG2 4.01Å; F230-I247 HydrophobicContact CE1-CB 3.98Å; F230-I247 HydrophobicContact CE1-CG2 3.5Å; F230-I247 VanDerWaalsContact CE1-CG2 3.5Å; F230-I247 HydrophobicContact CZ-CB 4.35Å; F230-I247 HydrophobicContact CZ-CD1 4.45Å; F230-I247 HydrophobicContact CZ-CG2 3.81Å; F230-L251 HydrophobicContact CB-CD1 3.61Å; F230-L251 HydrophobicContact CD1-CD1 3.75Å; F230-L251 HydrophobicContact CG-CD1 3.78Å |
| 231 | N | 98.2 | Very high | 98.3 | Very high | 16 Ų | 16 | 49.1 Ų | 49.1 | 9% | 0.086 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.9 | -39.2 | 175.2 | -85.7 | -56.5 | 0 | 0 | 0 | 112.3 | Q164 P227 Y228 L234 K235 | Q164-N231 PolarHBondContact OE1-ND2 3.12Å; Q164-N231 PolarHBondContact OE1-OD1 2.8Å; P227-N231 WeakPolarHBondContact O-CB 3.22Å; P227-N231 PolarHBondContact O-N 3.08Å; P227-N231 PolarHBondContact O-ND2 2.64Å; Y228-N231 PolarHBondContact O-N 3.11Å; N231-L234 PolarHBondContact O-N 2.72Å; N231-K235 VanDerWaalsContact O-CG 3.31Å; N231-K235 WeakPolarHBondContact O-CG 3.27Å; N231-K235 PolarHBondContact O-N 2.89Å; N231-K235 VanDerWaalsContact O-N 3.12Å |
| 232 | D | 98.5 | Very high | 98.3 | Very high | 90 Ų | 90 | 48.7 Ų | 48.7 | 48% | 0.481 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -72 | -35.9 | 178.2 | -71.9 | -14.8 | 0 | 0 | 0 | 112.2 | Y228 A229 F230 K235 R236 | Y228-D232 PolarHBondContact O-N 3.49Å; A229-D232 PolarHBondContact O-N 3.14Å; F230-D232 VanDerWaalsContact C-N 3.33Å; F230-D232 PolarHBondContact O-N 3.48Å; D232-K235 PolarHBondContact O-N 2.96Å; D232-K235 IonicContact OD1-NZ 3.07Å; D232-K235 PolarHBondContact OD1-NZ 3.21Å; D232-R236 WeakPolarHBondContact O-CB 3.28Å; D232-R236 PolarHBondContact O-N 3.11Å |
| 233 | Y | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.1 | -51.5 | 168.1 | 165.4 | -90.1 | 0 | 0 | 0 | 111.7 | M214 E217 A218 I221 A229 F230 K235 R236 T237 N239 I241 | M214-Y233 VanDerWaalsContact CG-OH 3.28Å; M214-Y233 WeakPolarHBondContact CG-OH 3.49Å; M214-Y233 PolarHBondContact O-OH 3.35Å; E217-Y233 HydrophobicContact CB-CD2 4.43Å; E217-Y233 HydrophobicContact CB-CE2 3.9Å; E217-Y233 HydrophobicContact CG-CD2 3.82Å; E217-Y233 HydrophobicContact CG-CE2 3.79Å; E217-Y233 WeakPolarHBondContact OE2-CE2 3.31Å; A218-Y233 HydrophobicContact CB-CD1 4.18Å; A218-Y233 HydrophobicContact CB-CE1 3.5Å; A218-Y233 VanDerWaalsContact CB-CE1 3.5Å; A218-Y233 HydrophobicContact CB-CE2 4.16Å; A218-Y233 VanDerWaalsContact CB-CZ 3.48Å; I221-Y233 HydrophobicContact CD1-CD2 3.88Å; I221-Y233 HydrophobicContact CD1-CG 3.95Å; A229-Y233 WeakPolarHBondContact O-CB 3.47Å; A229-Y233 PolarHBondContact O-N 3.16Å; F230-Y233 HydrophobicContact CD2-CD1 4.3Å; F230-Y233 HydrophobicContact CE2-CD1 4.25Å; F230-Y233 WeakPolarHBondContact O-CB 3.32Å; F230-Y233 PolarHBondContact O-N 3.47Å; Y233-K235 VanDerWaalsContact C-N 3.33Å; Y233-K235 PolarHBondContact O-N 2.83Å; Y233-R236 PolarHBondContact O-N 3.39Å; Y233-R236 VanDerWaalsContact O-N 3.11Å; Y233-T237 HydrophobicContact CD2-CG2 3.79Å; Y233-T237 HydrophobicContact CE2-CG2 3.5Å; Y233-T237 VanDerWaalsContact CE2-CG2 3.5Å; Y233-T237 HydrophobicContact CG-CG2 4.48Å; Y233-T237 PolarHBondContact O-N 3.2Å; Y233-T237 PolarHBondContact O-OG1 3.16Å; Y233-N239 HydrophobicContact CE1-CB 4.01Å; Y233-N239 PolarHBondContact OH-ND2 3.35Å; Y233-I241 HydrophobicContact CE1-CD1 4.06Å |
| 234 | L | 98.5 | Very high | 98.2 | Very high | 21 Ų | 21 | 49.5 Ų | 49.5 | 11% | 0.11 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.5 | -42 | -178.6 | -70.9 | 170.4 | 0 | 0 | 0 | 111.8 | F230 N231 R236 N238 I241 R244 | F230-L234 HydrophobicContact CD1-CD1 3.98Å; F230-L234 HydrophobicContact CE1-CD1 3.67Å; F230-L234 HydrophobicContact CE1-CG 4.3Å; F230-L234 HydrophobicContact CE2-CD2 4.46Å; F230-L234 HydrophobicContact CE2-CG 4.42Å; F230-L234 HydrophobicContact CZ-CD1 4.03Å; F230-L234 HydrophobicContact CZ-CD2 4.17Å; F230-L234 HydrophobicContact CZ-CG 4.21Å; F230-L234 WeakPolarHBondContact O-CG 3.41Å; F230-L234 PolarHBondContact O-N 2.95Å; N231-L234 PolarHBondContact O-N 2.72Å; L234-R236 VanDerWaalsContact C-N 3.33Å; L234-R236 PolarHBondContact O-N 2.63Å; L234-N238 VanDerWaalsContact O-CA 3.31Å; L234-N238 WeakPolarHBondContact O-CA 3.45Å; L234-N238 PolarHBondContact O-N 3.04Å; L234-I241 HydrophobicContact CD2-CD1 4.32Å; L234-R244 HydrophobicContact CD1-CB 3.89Å; L234-R244 HydrophobicContact CD2-CB 4.16Å |
| 235 | K | 97.7 | Very high | 98.3 | Very high | 132 Ų | 132 | 46.5 Ų | 46.5 | 57% | 0.574 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -63.4 | -39 | 175.9 | -68.8 | 169.1 | -160.8 | 155.8 | 0 | 112.2 | N231 D232 Y233 | N231-K235 VanDerWaalsContact O-CG 3.31Å; N231-K235 WeakPolarHBondContact O-CG 3.27Å; N231-K235 PolarHBondContact O-N 2.89Å; N231-K235 VanDerWaalsContact O-N 3.12Å; D232-K235 PolarHBondContact O-N 2.96Å; D232-K235 IonicContact OD1-NZ 3.07Å; D232-K235 PolarHBondContact OD1-NZ 3.21Å; Y233-K235 VanDerWaalsContact C-N 3.33Å; Y233-K235 PolarHBondContact O-N 2.83Å |
| 236 | R | 98.1 | Very high | 98.3 | Very high | 142 Ų | 142 | 45.2 Ų | 45.2 | 54% | 0.536 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -75 | -44.8 | -176.6 | 178.8 | 174.5 | 52.2 | 75.4 | 3.1 | 112.2 | E217 D232 Y233 L234 | E217-R236 IonicContact OE1-CZ 2.68Å; E217-R236 IonicContact OE1-NH1 2.85Å; E217-R236 PolarHBondContact OE1-NH1 2.85Å; E217-R236 IonicContact OE1-NH2 2.9Å; E217-R236 PolarHBondContact OE1-NH2 3.07Å; E217-R236 IonicContact OE2-CZ 2.78Å; E217-R236 IonicContact OE2-NH1 2.76Å; E217-R236 PolarHBondContact OE2-NH1 2.9Å; E217-R236 VanDerWaalsContact OE2-NH1 3.14Å; E217-R236 IonicContact OE2-NH2 3.3Å; E217-R236 PolarHBondContact OE2-NH2 3.23Å; E217-R236 VanDerWaalsContact OE2-NH2 3.12Å; D232-R236 WeakPolarHBondContact O-CB 3.28Å; D232-R236 PolarHBondContact O-N 3.11Å; Y233-R236 PolarHBondContact O-N 3.39Å; Y233-R236 VanDerWaalsContact O-N 3.11Å; L234-R236 VanDerWaalsContact C-N 3.33Å; L234-R236 PolarHBondContact O-N 2.63Å |
| 237 | T | 98 | Very high | 98.4 | Very high | 18 Ų | 18 | 42.5 Ų | 42.5 | 11% | 0.11 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -91.3 | -24 | -172.7 | 62 | 0 | 0 | 0 | 0 | 113.1 | M214 Y233 N239 | M214-T237 HydrophobicContact CG-CG2 4.48Å; Y233-T237 HydrophobicContact CD2-CG2 3.79Å; Y233-T237 HydrophobicContact CE2-CG2 3.5Å; Y233-T237 VanDerWaalsContact CE2-CG2 3.5Å; Y233-T237 HydrophobicContact CG-CG2 4.48Å; Y233-T237 PolarHBondContact O-N 3.2Å; Y233-T237 PolarHBondContact O-OG1 3.16Å; T237-N239 PolarHBondContact O-N 3.01Å; T237-N239 WeakPolarHBondContact OG1-CB 3.27Å; T237-N239 PolarHBondContact OG1-N 3.47Å; T237-N239 VanDerWaalsContact OG1-N 3.16Å |
| 238 | N | 97.5 | Very high | 98.4 | Very high | 112 Ų | 112 | 42.4 Ų | 42.4 | 60% | 0.599 | 20% | 0.199 | S | C | * | . | trans | 52.8 | 26.4 | -165.8 | -59.2 | -75.2 | 0 | 0 | 0 | 112.7 | F197 L234 T240 | F197-N238 HydrophobicContact CE2-CB 4.31Å; F197-N238 WeakPolarHBondContact CE2-O 3.29Å; L234-N238 VanDerWaalsContact O-CA 3.31Å; L234-N238 WeakPolarHBondContact O-CA 3.45Å; L234-N238 PolarHBondContact O-N 3.04Å; N238-T240 PolarHBondContact O-N 3Å | ||
| 239 | N | 98.4 | Very high | 98.4 | Very high | 5 Ų | 5 | 35.3 Ų | 35.3 | 3% | 0.027 | 17% | 0.172 | C | C | . | . | trans | -55.6 | 133.9 | 179.1 | -170.1 | -7.4 | 0 | 0 | 0 | 109.9 | C189 M214 D215 Y233 T237 I241 | C189-N239 WeakPolarHBondContact CA-OD1 3.24Å; C189-N239 WeakPolarHBondContact CB-OD1 3.47Å; M214-N239 HydrophobicContact CG-CB 4.23Å; M214-N239 HydrophobicContact SD-CB 3.72Å; D215-N239 PolarHBondContact OD1-ND2 3.39Å; Y233-N239 HydrophobicContact CE1-CB 4.01Å; Y233-N239 PolarHBondContact OH-ND2 3.35Å; T237-N239 PolarHBondContact O-N 3.01Å; T237-N239 WeakPolarHBondContact OG1-CB 3.27Å; T237-N239 PolarHBondContact OG1-N 3.47Å; T237-N239 VanDerWaalsContact OG1-N 3.16Å; N239-I241 HydrophobicContact CB-CG1 4.27Å; N239-I241 PolarHBondContact O-N 3Å | ||
| 240 | T | 98.2 | Very high | 98.4 | Very high | 33 Ų | 33 | 34.3 Ų | 34.3 | 20% | 0.202 | 16% | 0.162 | C | C | . | . | trans | -81.8 | 32.6 | -175 | 49.9 | 0 | 0 | 0 | 0 | 113.2 | H190 F197 N238 C242 | H190-T240 WeakPolarHBondContact CA-OG1 3.38Å; H190-T240 PolarHBondContact N-OG1 3.01Å; H190-T240 PolarHBondContact O-OG1 3.43Å; F197-T240 HydrophobicContact CB-CG2 3.68Å; F197-T240 HydrophobicContact CD1-CG2 4.22Å; F197-T240 HydrophobicContact CD2-CG2 3.86Å; F197-T240 HydrophobicContact CG-CG2 3.66Å; N238-T240 PolarHBondContact O-N 3Å; T240-C242 PolarHBondContact O-N 3.47Å; T240-C242 VanDerWaalsContact O-N 3.07Å | ||
| 241 | I | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -54.1 | 117.6 | 175.3 | -58.8 | 176.8 | 0 | 0 | 0 | 108.9 | F188 A218 F230 Y233 L234 N239 R244 I247 | F188-I241 HydrophobicContact CD1-CD1 4.19Å; F188-I241 HydrophobicContact CD1-CG1 4.37Å; F188-I241 HydrophobicContact CE1-CD1 4.36Å; A218-I241 HydrophobicContact CB-CD1 3.68Å; F230-I241 HydrophobicContact CE2-CD1 4.1Å; F230-I241 HydrophobicContact CZ-CD1 4.15Å; Y233-I241 HydrophobicContact CE1-CD1 4.06Å; L234-I241 HydrophobicContact CD2-CD1 4.32Å; N239-I241 HydrophobicContact CB-CG1 4.27Å; N239-I241 PolarHBondContact O-N 3Å; I241-R244 HydrophobicContact CB-CB 4.22Å; I241-R244 HydrophobicContact CG2-CB 4.21Å; I241-R244 WeakPolarHBondContact O-CB 3.3Å; I241-R244 WeakPolarHBondContact O-CG 3.47Å; I241-R244 PolarHBondContact O-N 2.82Å; I241-R244 PolarHBondContact O-NH1 3.45Å; I241-R244 VanDerWaalsContact O-NH1 3.16Å; I241-I247 HydrophobicContact CG2-CD1 3.99Å | ||
| 242 | C | 98.2 | Very high | 98.5 | Very high | 21 Ų | 21 | 34 Ų | 34 | 14% | 0.142 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -49.4 | -170.3 | -175.1 | 0 | 0 | 0 | 0 | 111.5 | H47 H79 D187 T240 R244 | H47-C242 PolarHBondContact NE2-SG 3.28Å; H79-C242 PolarHBondContact NE2-SG 2.92Å; D187-C242 HydrophobicContact CB-CB 4.19Å; D187-C242 PolarHBondContact O-N 3.38Å; T240-C242 PolarHBondContact O-N 3.47Å; T240-C242 VanDerWaalsContact O-N 3.07Å; C242-R244 VanDerWaalsContact C-N 3.26Å; C242-R244 PolarHBondContact O-N 3.25Å |
| 243 | G | 98.3 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 23.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S186 H245 P246 I247 | S186-G243 WeakPolarHBondContact OG-CA 3.44Å; S186-G243 PolarHBondContact OG-N 2.87Å; G243-H245 PolarHBondContact O-N 3.39Å; G243-H245 VanDerWaalsContact O-N 3.14Å; G243-P246 VanDerWaalsContact O-CD 3.22Å; G243-P246 WeakPolarHBondContact O-CD 3.31Å; G243-I247 VanDerWaalsContact O-CG1 3.31Å; G243-I247 WeakPolarHBondContact O-CG1 3.48Å; G243-I247 PolarHBondContact O-N 2.69Å |
| 244 | R | 98.7 | Very high | 98.4 | Very high | 88 Ų | 88 | 29.9 Ų | 29.9 | 33% | 0.332 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -55.1 | -34 | -177.9 | 64.2 | -179.8 | 175 | -97.4 | 1.6 | 114.2 | F230 L234 I241 C242 S248 | F230-R244 HydrophobicContact CE1-CB 4.39Å; F230-R244 HydrophobicContact CZ-CB 4.48Å; L234-R244 HydrophobicContact CD1-CB 3.89Å; L234-R244 HydrophobicContact CD2-CB 4.16Å; I241-R244 HydrophobicContact CB-CB 4.22Å; I241-R244 HydrophobicContact CG2-CB 4.21Å; I241-R244 WeakPolarHBondContact O-CB 3.3Å; I241-R244 WeakPolarHBondContact O-CG 3.47Å; I241-R244 PolarHBondContact O-N 2.82Å; I241-R244 PolarHBondContact O-NH1 3.45Å; I241-R244 VanDerWaalsContact O-NH1 3.16Å; C242-R244 VanDerWaalsContact C-N 3.26Å; C242-R244 PolarHBondContact O-N 3.25Å; R244-S248 WeakPolarHBondContact O-CB 3.31Å; R244-S248 PolarHBondContact O-N 2.78Å; R244-S248 PolarHBondContact O-OG 2.81Å |
| 245 | H | 98.7 | Very high | 98.3 | Very high | 30 Ų | 30 | 31.6 Ų | 31.6 | 14% | 0.139 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -75.1 | -49.8 | 178.7 | -65.3 | -61.5 | 0 | 0 | 0 | 112.3 | V156 G157 L159 G243 I247 S248 V249 | V156-H245 HydrophobicContact CG1-CB 3.91Å; G157-H245 VanDerWaalsContact O-CB 3.32Å; G157-H245 WeakPolarHBondContact O-CB 3.22Å; L159-H245 PolarHBondContact N-ND1 3.36Å; G243-H245 PolarHBondContact O-N 3.39Å; G243-H245 VanDerWaalsContact O-N 3.14Å; H245-I247 VanDerWaalsContact C-N 3.31Å; H245-I247 PolarHBondContact O-N 3.37Å; H245-S248 PolarHBondContact O-N 2.87Å; H245-V249 WeakPolarHBondContact O-CG2 3.26Å; H245-V249 PolarHBondContact O-N 3.21Å |
| 246 | P | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -48.5 | -47.4 | 165.4 | -30 | 31.3 | 0 | 0 | 0 | 114.2 | L75 P77 V156 V184 G243 V249 M250 | L75-P246 HydrophobicContact CB-CB 4.16Å; P77-P246 HydrophobicContact CB-CG 4.36Å; V156-P246 HydrophobicContact CB-CG 3.82Å; V156-P246 HydrophobicContact CG1-CG 4.23Å; V156-P246 HydrophobicContact CG2-CB 4.47Å; V156-P246 HydrophobicContact CG2-CG 4.01Å; V184-P246 HydrophobicContact CG1-CB 3.68Å; G243-P246 VanDerWaalsContact O-CD 3.22Å; G243-P246 WeakPolarHBondContact O-CD 3.31Å; P246-V249 PolarHBondContact O-N 2.87Å; P246-M250 PolarHBondContact O-N 3.32Å |
| 247 | I | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.2 | -50.3 | 177.7 | -68.2 | 167.8 | 0 | 0 | 0 | 110.3 | I44 V184 I222 F230 I241 G243 H245 V249 M250 L251 | I44-I247 HydrophobicContact CD1-CD1 4.43Å; I44-I247 HydrophobicContact CD1-CG1 4.13Å; V184-I247 HydrophobicContact CG1-CB 4.48Å; V184-I247 HydrophobicContact CG1-CG1 3.67Å; I222-I247 HydrophobicContact CD1-CD1 4.24Å; I222-I247 HydrophobicContact CD1-CG2 3.86Å; I222-I247 HydrophobicContact CG1-CG2 3.91Å; F230-I247 HydrophobicContact CD1-CG2 4.01Å; F230-I247 HydrophobicContact CE1-CB 3.98Å; F230-I247 HydrophobicContact CE1-CG2 3.5Å; F230-I247 VanDerWaalsContact CE1-CG2 3.5Å; F230-I247 HydrophobicContact CZ-CB 4.35Å; F230-I247 HydrophobicContact CZ-CD1 4.45Å; F230-I247 HydrophobicContact CZ-CG2 3.81Å; I241-I247 HydrophobicContact CG2-CD1 3.99Å; G243-I247 VanDerWaalsContact O-CG1 3.31Å; G243-I247 WeakPolarHBondContact O-CG1 3.48Å; G243-I247 PolarHBondContact O-N 2.69Å; H245-I247 VanDerWaalsContact C-N 3.31Å; H245-I247 PolarHBondContact O-N 3.37Å; I247-V249 VanDerWaalsContact C-N 3.3Å; I247-V249 PolarHBondContact O-N 3.1Å; I247-M250 PolarHBondContact O-N 2.91Å; I247-L251 HydrophobicContact CG2-CD1 3.96Å; I247-L251 HydrophobicContact CG2-CG 4.27Å; I247-L251 WeakPolarHBondContact O-CG 3.48Å; I247-L251 PolarHBondContact O-N 3.04Å |
| 248 | S | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.6 | -39.3 | -179.9 | -58.4 | 0 | 0 | 0 | 0 | 112.5 | R244 H245 M250 L251 Q252 | R244-S248 WeakPolarHBondContact O-CB 3.31Å; R244-S248 PolarHBondContact O-N 2.78Å; R244-S248 PolarHBondContact O-OG 2.81Å; H245-S248 PolarHBondContact O-N 2.87Å; S248-M250 VanDerWaalsContact C-N 3.31Å; S248-M250 PolarHBondContact O-N 3.35Å; S248-L251 PolarHBondContact O-N 3.24Å; S248-Q252 WeakPolarHBondContact O-CB 3.4Å; S248-Q252 VanDerWaalsContact O-CG 3.23Å; S248-Q252 WeakPolarHBondContact O-CG 3.31Å; S248-Q252 PolarHBondContact O-N 2.89Å |
| 249 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.1 | -41.1 | 174.6 | 167.8 | 0 | 0 | 0 | 0 | 110.9 | L75 V156 L159 F171 H245 P246 I247 Q252 A253 | L75-V249 HydrophobicContact CD2-CG1 4.23Å; V156-V249 HydrophobicContact CG1-CG2 4.42Å; L159-V249 HydrophobicContact CD1-CG2 3.41Å; L159-V249 VanDerWaalsContact CD1-CG2 3.41Å; F171-V249 HydrophobicContact CD2-CG1 3.42Å; F171-V249 VanDerWaalsContact CD2-CG1 3.42Å; F171-V249 HydrophobicContact CE2-CG1 3.7Å; H245-V249 WeakPolarHBondContact O-CG2 3.26Å; H245-V249 PolarHBondContact O-N 3.21Å; P246-V249 PolarHBondContact O-N 2.87Å; I247-V249 VanDerWaalsContact C-N 3.3Å; I247-V249 PolarHBondContact O-N 3.1Å; V249-Q252 PolarHBondContact O-N 3.23Å; V249-A253 WeakPolarHBondContact O-CB 3.48Å; V249-A253 PolarHBondContact O-N 2.86Å |
| 250 | M | 98.8 | Very high | 97.4 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 4% | 0.039 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -75.3 | -32.9 | -178.7 | -158.6 | 61.1 | -115.2 | 0 | 0 | 112.9 | V42 L175 F182 V184 P246 I247 S248 A253 S254 | V42-M250 HydrophobicContact CB-CG 4.47Å; V42-M250 HydrophobicContact CG1-CG 3.53Å; V42-M250 HydrophobicContact CG1-SD 4.16Å; V42-M250 HydrophobicContact CG2-CE 3.76Å; V42-M250 HydrophobicContact CG2-CG 4.12Å; V42-M250 HydrophobicContact CG2-SD 4.08Å; L175-M250 HydrophobicContact CD1-CE 3.98Å; L175-M250 HydrophobicContact CD2-CE 3.62Å; L175-M250 HydrophobicContact CG-CE 4.24Å; F182-M250 HydrophobicContact CB-SD 4.01Å; F182-M250 HydrophobicContact CD1-SD 3.79Å; F182-M250 HydrophobicContact CE1-SD 4.45Å; F182-M250 HydrophobicContact CG-SD 3.88Å; V184-M250 HydrophobicContact CG2-CB 3.87Å; V184-M250 HydrophobicContact CG2-CG 3.81Å; P246-M250 PolarHBondContact O-N 3.32Å; I247-M250 PolarHBondContact O-N 2.91Å; S248-M250 VanDerWaalsContact C-N 3.31Å; S248-M250 PolarHBondContact O-N 3.35Å; M250-A253 HydrophobicContact CE-CB 3.52Å; M250-A253 PolarHBondContact O-N 3.48Å; M250-A253 HydrophobicContact SD-CB 4.4Å; M250-S254 WeakPolarHBondContact O-CB 3.46Å; M250-S254 PolarHBondContact O-N 2.76Å; M250-S254 PolarHBondContact O-OG 3.35Å |
| 251 | L | 98.8 | Very high | 96.9 | Very high | 5 Ų | 5 | 30.3 Ų | 30.3 | 3% | 0.026 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.9 | -45.4 | 169.4 | -68 | 173.3 | 0 | 0 | 0 | 110.6 | I222 L225 P227 F230 I247 S248 A253 S254 E255 | I222-L251 HydrophobicContact CG1-CD1 4.47Å; I222-L251 HydrophobicContact CG2-CD2 4.39Å; L225-L251 HydrophobicContact CD2-CD2 4.14Å; P227-L251 HydrophobicContact CB-CB 3.79Å; F230-L251 HydrophobicContact CB-CD1 3.61Å; F230-L251 HydrophobicContact CD1-CD1 3.75Å; F230-L251 HydrophobicContact CG-CD1 3.78Å; I247-L251 HydrophobicContact CG2-CD1 3.96Å; I247-L251 HydrophobicContact CG2-CG 4.27Å; I247-L251 WeakPolarHBondContact O-CG 3.48Å; I247-L251 PolarHBondContact O-N 3.04Å; S248-L251 PolarHBondContact O-N 3.24Å; L251-A253 VanDerWaalsContact C-N 3.35Å; L251-A253 PolarHBondContact O-N 3.38Å; L251-S254 PolarHBondContact O-N 2.69Å; L251-E255 PolarHBondContact O-N 2.85Å |
| 252 | Q | 98.7 | Very high | 96.3 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 2% | 0.023 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.1 | -42.1 | 173.8 | -70.8 | -75.6 | 14 | 0 | 0 | 112.1 | Q164 P227 S248 V249 S254 E255 Y256 | Q164-Q252 HydrophobicContact CB-CG 4.23Å; P227-Q252 HydrophobicContact CB-CG 3.83Å; P227-Q252 HydrophobicContact CG-CG 4.31Å; S248-Q252 WeakPolarHBondContact O-CB 3.4Å; S248-Q252 VanDerWaalsContact O-CG 3.23Å; S248-Q252 WeakPolarHBondContact O-CG 3.31Å; S248-Q252 PolarHBondContact O-N 2.89Å; V249-Q252 PolarHBondContact O-N 3.23Å; Q252-S254 VanDerWaalsContact C-N 3.32Å; Q252-S254 PolarHBondContact O-N 3.21Å; Q252-E255 PolarHBondContact O-N 2.89Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.33Å; Q252-Y256 PolarHBondContact O-N 3.1Å |
| 253 | A | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.3 | -36.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G168 F171 A172 V249 M250 L251 F257 | G168-A253 VanDerWaalsContact O-CA 3.28Å; G168-A253 WeakPolarHBondContact O-CA 3.44Å; G168-A253 WeakPolarHBondContact O-CB 3.47Å; F171-A253 HydrophobicContact CB-CB 3.99Å; A172-A253 HydrophobicContact CB-CB 4.5Å; A172-A253 WeakPolarHBondContact CB-O 3.4Å; V249-A253 WeakPolarHBondContact O-CB 3.48Å; V249-A253 PolarHBondContact O-N 2.86Å; M250-A253 HydrophobicContact CE-CB 3.52Å; M250-A253 PolarHBondContact O-N 3.48Å; M250-A253 HydrophobicContact SD-CB 4.4Å; L251-A253 VanDerWaalsContact C-N 3.35Å; L251-A253 PolarHBondContact O-N 3.38Å; A253-F257 VanDerWaalsContact O-CB 3.23Å; A253-F257 WeakPolarHBondContact O-CB 3.45Å; A253-F257 PolarHBondContact O-N 3.19Å |
| 254 | S | 97.4 | Very high | 95.5 | Very high | 5 Ų | 5 | 48.4 Ų | 48.4 | 4% | 0.035 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.6 | -41.9 | 175.5 | -57 | 0 | 0 | 0 | 0 | 111.6 | M250 L251 Q252 F257 H258 | M250-S254 WeakPolarHBondContact O-CB 3.46Å; M250-S254 PolarHBondContact O-N 2.76Å; M250-S254 PolarHBondContact O-OG 3.35Å; L251-S254 PolarHBondContact O-N 2.69Å; Q252-S254 VanDerWaalsContact C-N 3.32Å; Q252-S254 PolarHBondContact O-N 3.21Å; S254-F257 PolarHBondContact O-N 3.43Å; S254-H258 WeakPolarHBondContact O-CB 3.21Å; S254-H258 PolarHBondContact O-N 3.49Å |
| 255 | E | 96.4 | Very high | 95.3 | Very high | 57 Ų | 57 | 45.7 Ų | 45.7 | 27% | 0.266 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62 | -49.6 | 174.9 | 176.6 | 57.4 | -160.2 | 0 | 0 | 111.6 | P227 L251 Q252 F257 H258 Q259 | P227-E255 HydrophobicContact CG-CB 4.44Å; L251-E255 PolarHBondContact O-N 2.85Å; Q252-E255 PolarHBondContact O-N 2.89Å; E255-F257 VanDerWaalsContact C-N 3.3Å; E255-F257 PolarHBondContact O-N 2.89Å; E255-H258 PolarHBondContact O-N 3.25Å; E255-Q259 WeakPolarHBondContact O-CG 3.34Å; E255-Q259 PolarHBondContact O-N 2.95Å; E255-Q259 PolarHBondContact OE1-NE2 2.97Å |
| 256 | Y | 97.1 | Very high | 95.3 | Very high | 48 Ų | 48 | 46.2 Ų | 46.2 | 19% | 0.188 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.3 | -36 | 176.1 | -81.6 | -63.2 | 0 | 0 | 0 | 113 | A165 R169 Q252 A260 | A165-Y256 HydrophobicContact CB-CE2 4.41Å; A165-Y256 WeakPolarHBondContact O-CE2 3.12Å; R169-Y256 HydrophobicContact CB-CD1 4.48Å; R169-Y256 HydrophobicContact CB-CD2 3.87Å; R169-Y256 HydrophobicContact CB-CE1 4.42Å; R169-Y256 HydrophobicContact CB-CE2 3.82Å; R169-Y256 HydrophobicContact CB-CG 4.22Å; R169-Y256 VanDerWaalsContact NH2-CE1 3.35Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.33Å; Q252-Y256 PolarHBondContact O-N 3.1Å; Y256-A260 WeakPolarHBondContact O-CB 3.45Å; Y256-A260 PolarHBondContact O-N 2.94Å |
| 257 | F | 95.8 | Very high | 95.3 | Very high | 7 Ų | 7 | 46.7 Ų | 46.7 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.1 | -45.7 | 173.9 | 172.1 | -93.8 | 0 | 0 | 0 | 110.8 | L175 A176 A253 S254 E255 Q259 A260 N261 H263 I295 | L175-F257 HydrophobicContact CD2-CB 3.84Å; L175-F257 HydrophobicContact CD2-CD1 4.49Å; L175-F257 HydrophobicContact CD2-CG 4.03Å; L175-F257 HydrophobicContact CG-CD2 4.44Å; L175-F257 HydrophobicContact CG-CG 4.4Å; A176-F257 HydrophobicContact CB-CD2 4.03Å; A176-F257 HydrophobicContact CB-CE2 4.01Å; A253-F257 VanDerWaalsContact O-CB 3.23Å; A253-F257 WeakPolarHBondContact O-CB 3.45Å; A253-F257 PolarHBondContact O-N 3.19Å; S254-F257 PolarHBondContact O-N 3.43Å; E255-F257 VanDerWaalsContact C-N 3.3Å; E255-F257 PolarHBondContact O-N 2.89Å; F257-Q259 PolarHBondContact O-N 3.13Å; F257-A260 PolarHBondContact O-N 2.92Å; F257-N261 HydrophobicContact CD2-CB 4.41Å; F257-N261 WeakPolarHBondContact CD2-ND2 3.36Å; F257-N261 HydrophobicContact CE1-CB 4.24Å; F257-N261 HydrophobicContact CE2-CB 3.93Å; F257-N261 WeakPolarHBondContact CE2-ND2 3.3Å; F257-N261 HydrophobicContact CZ-CB 3.85Å; F257-N261 VanDerWaalsContact O-CB 3.31Å; F257-N261 WeakPolarHBondContact O-CB 3.47Å; F257-N261 PolarHBondContact O-N 3.06Å; F257-N261 PolarHBondContact O-ND2 3.43Å; F257-H263 HydrophobicContact CE1-CB 3.78Å; F257-H263 HydrophobicContact CZ-CB 3.79Å; F257-I295 HydrophobicContact CD1-CD1 4.2Å; F257-I295 HydrophobicContact CE1-CD1 3.81Å; F257-I295 HydrophobicContact CE1-CG1 4.38Å; F257-I295 HydrophobicContact CE1-CG2 3.66Å; F257-I295 HydrophobicContact CZ-CD1 4.04Å; F257-I295 HydrophobicContact CZ-CG2 3.68Å |
| 258 | H | 93.4 | Very high | 95.3 | Very high | 113 Ų | 113 | 50.8 Ų | 50.8 | 52% | 0.523 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 178 | -179.4 | 59.8 | 0 | 0 | 0 | 112.2 | S254 E255 A260 N261 | S254-H258 WeakPolarHBondContact O-CB 3.21Å; S254-H258 PolarHBondContact O-N 3.49Å; E255-H258 PolarHBondContact O-N 3.25Å; H258-A260 PolarHBondContact O-N 2.58Å; H258-N261 PolarHBondContact O-N 2.86Å |
| 259 | Q | 91.8 | Very high | 95.3 | Very high | 124 Ų | 124 | 51.9 Ų | 51.9 | 58% | 0.579 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -62.6 | -29.6 | 176.6 | -70 | 174.4 | 4.4 | 0 | 0 | 113.4 | E255 F257 | E255-Q259 WeakPolarHBondContact O-CG 3.34Å; E255-Q259 PolarHBondContact O-N 2.95Å; E255-Q259 PolarHBondContact OE1-NE2 2.97Å; F257-Q259 PolarHBondContact O-N 3.13Å |
| 260 | A | 91.6 | Very high | 95.3 | Very high | 80 Ų | 80 | 53.4 Ų | 53.4 | 66% | 0.661 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -97 | -12.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y256 F257 H258 | Y256-A260 WeakPolarHBondContact O-CB 3.45Å; Y256-A260 PolarHBondContact O-N 2.94Å; F257-A260 PolarHBondContact O-N 2.92Å; H258-A260 PolarHBondContact O-N 2.58Å |
| 261 | N | 89.5 | Confident | 95.2 | Very high | 44 Ų | 44 | 54.9 Ų | 54.9 | 24% | 0.235 | 28% | 0.279 | C | S | . | . | trans | -139.7 | 138.7 | -170.2 | -60.3 | -89.7 | 0 | 0 | 0 | 111.4 | F257 H258 H263 | F257-N261 HydrophobicContact CD2-CB 4.41Å; F257-N261 WeakPolarHBondContact CD2-ND2 3.36Å; F257-N261 HydrophobicContact CE1-CB 4.24Å; F257-N261 HydrophobicContact CE2-CB 3.93Å; F257-N261 WeakPolarHBondContact CE2-ND2 3.3Å; F257-N261 HydrophobicContact CZ-CB 3.85Å; F257-N261 VanDerWaalsContact O-CB 3.31Å; F257-N261 WeakPolarHBondContact O-CB 3.47Å; F257-N261 PolarHBondContact O-N 3.06Å; F257-N261 PolarHBondContact O-ND2 3.43Å; H258-N261 PolarHBondContact O-N 2.86Å; N261-H263 PolarHBondContact O-N 3.47Å | ||
| 262 | N | 86.1 | Confident | 95.2 | Very high | 155 Ų | 155 | 56.1 Ų | 56.1 | 83% | 0.829 | 28% | 0.284 | S | S | * | . | trans | -75 | 12.2 | 175.9 | -66.1 | -16.2 | 0 | 0 | 0 | 113.9 | G298 | N262-G298 WeakPolarHBondContact O-CA 3.49Š| ||
| 263 | H | 89 | Confident | 95.2 | Very high | 73 Ų | 73 | 58.2 Ų | 58.2 | 34% | 0.338 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 149.7 | -177.7 | -71.3 | 78.5 | 0 | 0 | 0 | 111.2 | F257 N261 I295 R296 | F257-H263 HydrophobicContact CE1-CB 3.78Å; F257-H263 HydrophobicContact CZ-CB 3.79Å; N261-H263 PolarHBondContact O-N 3.47Å; H263-I295 HydrophobicContact CB-CG2 3.59Å; H263-R296 CarbonylContact C-O 3.42Å; H263-R296 WeakPolarHBondContact CA-O 3.43Å; H263-R296 WeakPolarHBondContact CB-O 3.46Å; H263-R296 PolarHBondContact CD2-O 3.18Å |
| 264 | R | 89.6 | Confident | 95.2 | Very high | 172 Ų | 172 | 59.4 Ų | 59.4 | 65% | 0.649 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 117.3 | 174.1 | -64.8 | 178.9 | -161.9 | -151.7 | 5.2 | 109.5 | R296 G298 | R264-R296 PolarHBondContact N-O 3.01Å; R264-R296 PolarHBondContact O-N 3.32Å; R264-G298 VanDerWaalsContact CZ-OXT 3.28Å; R264-G298 PolarHBondContact NE-OXT 3.27Å; R264-G298 PolarHBondContact NH2-OXT 3.25Å |
| 265 | A | 95.5 | Very high | 95.3 | Very high | 32 Ų | 32 | 61.1 Ų | 61.1 | 26% | 0.264 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 138.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | L225 L293 V294 I295 | L225-A265 HydrophobicContact CD1-CB 3.61Å; A265-L293 HydrophobicContact CB-CD2 4.12Å; A265-V294 WeakPolarHBondContact CA-O 3.43Å; A265-I295 HydrophobicContact CB-CG1 4.41Å |
| 266 | S | 97.4 | Very high | 95.3 | Very high | 41 Ų | 41 | 61.6 Ų | 61.6 | 29% | 0.287 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 129.3 | 171.9 | 171.8 | 0 | 0 | 0 | 0 | 106.9 | H37 L293 V294 | H37-S266 PolarHBondContact CE1-O 3.19Å; H37-S266 PolarHBondContact NE2-OG 2.88Å; S266-L293 CarbonylContact O-C 3.59Å; S266-L293 VanDerWaalsContact O-CA 3.27Å; S266-L293 WeakPolarHBondContact O-CA 3.44Å; S266-V294 PolarHBondContact N-O 2.87Å; S266-V294 PolarHBondContact O-N 2.66Å |
| 267 | F | 98.7 | Very high | 95.4 | Very high | 10 Ų | 10 | 64.3 Ų | 64.3 | 4% | 0.044 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 138.4 | 171.5 | -168.7 | -75 | 0 | 0 | 0 | 109.2 | I44 I222 E223 L225 F269 S292 L293 | I44-F267 HydrophobicContact CB-CZ 4.08Å; I44-F267 HydrophobicContact CD1-CE1 4.22Å; I44-F267 HydrophobicContact CD1-CE2 3.95Å; I44-F267 HydrophobicContact CD1-CZ 3.49Å; I44-F267 VanDerWaalsContact CD1-CZ 3.49Å; I44-F267 HydrophobicContact CG1-CE2 3.99Å; I44-F267 HydrophobicContact CG1-CZ 3.68Å; I222-F267 HydrophobicContact CG2-CD1 4.2Å; I222-F267 HydrophobicContact CG2-CE1 4.15Å; I222-F267 HydrophobicContact CG2-CZ 4.49Å; E223-F267 HydrophobicContact CG-CD1 4.03Å; L225-F267 HydrophobicContact CD2-CB 3.83Å; L225-F267 HydrophobicContact CG-CB 4.41Å; F267-F269 HydrophobicContact CD1-CD2 4.27Å; F267-F269 HydrophobicContact CD1-CE2 4.17Å; F267-F269 HydrophobicContact CE1-CD1 4.31Å; F267-F269 AromaticContact CE1-CD2 3.78Å; F267-F269 HydrophobicContact CE1-CD2 3.78Å; F267-F269 HydrophobicContact CE1-CE1 4.15Å; F267-F269 AromaticContact CE1-CE2 3.57Å; F267-F269 HydrophobicContact CE1-CE2 3.57Å; F267-F269 HydrophobicContact CE1-CG 4.14Å; F267-F269 AromaticContact CE1-CZ 3.78Å; F267-F269 HydrophobicContact CE1-CZ 3.78Å; F267-F269 HydrophobicContact CZ-CZ 4.31Å; F267-S292 WeakPolarHBondContact CA-O 3.45Å; F267-L293 HydrophobicContact CD2-CB 3.68Å; F267-L293 HydrophobicContact CD2-CD1 4.19Å; F267-L293 HydrophobicContact CD2-CG 4.3Å; F267-L293 HydrophobicContact CE2-CB 4.31Å |
| 268 | Q | 98.7 | Very high | 95.4 | Very high | 87 Ų | 87 | 64 Ų | 64 | 41% | 0.407 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 131.4 | 175.6 | -66.3 | -173.2 | -33.1 | 0 | 0 | 109.9 | H37 L270 G291 S292 | H37-Q268 PolarHBondContact CD2-OE1 3.4Å; Q268-L270 HydrophobicContact CB-CD2 4.3Å; Q268-G291 CarbonylContact O-C 3.57Å; Q268-G291 WeakPolarHBondContact O-CA 3.37Å; Q268-S292 PolarHBondContact N-O 3.21Å; Q268-S292 PolarHBondContact O-N 2.88Å |
| 269 | F | 98.8 | Very high | 95.6 | Very high | 24 Ų | 24 | 65.7 Ų | 65.7 | 11% | 0.105 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 134.8 | 162.3 | -75.9 | -82.9 | 0 | 0 | 0 | 110.3 | I44 F188 M219 I222 E223 F267 A289 S290 | I44-F269 HydrophobicContact CB-CE1 4.44Å; I44-F269 HydrophobicContact CD1-CE1 4.34Å; I44-F269 HydrophobicContact CD1-CZ 3.9Å; I44-F269 HydrophobicContact CG2-CE1 4.38Å; F188-F269 HydrophobicContact CE1-CZ 4.45Å; F188-F269 HydrophobicContact CE2-CE1 4.26Å; F188-F269 AromaticContact CZ-CE1 3.76Å; F188-F269 HydrophobicContact CZ-CE1 3.76Å; F188-F269 AromaticContact CZ-CZ 3.69Å; F188-F269 HydrophobicContact CZ-CZ 3.69Å; M219-F269 VanDerWaalsContact CA-CE2 3.45Å; M219-F269 HydrophobicContact CB-CD2 3.48Å; M219-F269 VanDerWaalsContact CB-CD2 3.48Å; M219-F269 HydrophobicContact CB-CE2 3.61Å; M219-F269 HydrophobicContact CB-CG 4.12Å; M219-F269 HydrophobicContact CB-CZ 4.33Å; M219-F269 HydrophobicContact CE-CB 3.29Å; M219-F269 HydrophobicContact CE-CD1 3.81Å; M219-F269 HydrophobicContact CE-CD2 3.99Å; M219-F269 HydrophobicContact CE-CG 3.42Å; M219-F269 VanDerWaalsContact CE-CG 3.42Å; M219-F269 HydrophobicContact CG-CD1 4.19Å; M219-F269 HydrophobicContact CG-CD2 3.75Å; M219-F269 HydrophobicContact CG-CE1 4.18Å; M219-F269 HydrophobicContact CG-CE2 3.75Å; M219-F269 HydrophobicContact CG-CG 3.98Å; M219-F269 HydrophobicContact CG-CZ 3.97Å; M219-F269 WeakPolarHBondContact O-CE2 2.95Å; I222-F269 HydrophobicContact CB-CE2 3.91Å; I222-F269 HydrophobicContact CB-CZ 4.33Å; I222-F269 HydrophobicContact CD1-CE2 4.35Å; I222-F269 HydrophobicContact CD1-CZ 4.05Å; I222-F269 HydrophobicContact CG2-CE2 3.8Å; I222-F269 HydrophobicContact CG2-CZ 3.99Å; E223-F269 HydrophobicContact CG-CD2 3.91Å; E223-F269 HydrophobicContact CG-CE2 4.42Å; E223-F269 PolarHBondContact OE1-N 3.39Å; F267-F269 HydrophobicContact CD1-CD2 4.27Å; F267-F269 HydrophobicContact CD1-CE2 4.17Å; F267-F269 HydrophobicContact CE1-CD1 4.31Å; F267-F269 AromaticContact CE1-CD2 3.78Å; F267-F269 HydrophobicContact CE1-CD2 3.78Å; F267-F269 HydrophobicContact CE1-CE1 4.15Å; F267-F269 AromaticContact CE1-CE2 3.57Å; F267-F269 HydrophobicContact CE1-CE2 3.57Å; F267-F269 HydrophobicContact CE1-CG 4.14Å; F267-F269 AromaticContact CE1-CZ 3.78Å; F267-F269 HydrophobicContact CE1-CZ 3.78Å; F267-F269 HydrophobicContact CZ-CZ 4.31Å; F269-A289 HydrophobicContact CD1-CB 3.72Å; F269-A289 HydrophobicContact CE1-CB 3.71Å; F269-S290 WeakPolarHBondContact CA-O 3.37Å |
| 270 | L | 98.7 | Very high | 95.9 | Very high | 32 Ų | 32 | 61.9 Ų | 61.9 | 17% | 0.168 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | -23.3 | -171.2 | -57.1 | 175.2 | 0 | 0 | 0 | 111.5 | H37 Y59 Q63 Q268 S290 | H37-L270 HydrophobicContact CB-CD1 4.5Å; H37-L270 HydrophobicContact CB-CD2 4.02Å; Y59-L270 HydrophobicContact CD1-CB 4.17Å; Y59-L270 WeakPolarHBondContact CD1-O 3.49Å; Y59-L270 WeakPolarHBondContact O-CD1 3.31Å; Q63-L270 HydrophobicContact CG-CD1 3.42Å; Q63-L270 VanDerWaalsContact CG-CD1 3.42Å; Q268-L270 HydrophobicContact CB-CD2 4.3Å; L270-S290 PolarHBondContact N-O 3.31Å |
| 271 | N | 98.7 | Very high | 96 | Very high | 39 Ų | 39 | 61.4 Ų | 61.4 | 21% | 0.209 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 154.1 | 174.7 | -162.5 | -101.1 | 0 | 0 | 0 | 112 | C56 Y59 A289 S290 | C56-N271 PolarHBondContact SG-OD1 2.93Å; C56-N271 VanDerWaalsContact SG-OD1 3.35Å; Y59-N271 HydrophobicContact CD1-CB 3.93Å; Y59-N271 HydrophobicContact CD2-CB 3.6Å; Y59-N271 HydrophobicContact CE1-CB 4.34Å; Y59-N271 HydrophobicContact CE2-CB 4.06Å; Y59-N271 WeakPolarHBondContact CE2-ND2 3.39Å; Y59-N271 HydrophobicContact CG-CB 3.53Å; N271-A289 WeakPolarHBondContact O-CA 3.41Å; N271-S290 WeakPolarHBondContact CB-OG 3.24Å; N271-S290 PolarHBondContact N-O 3.27Å; N271-S290 PolarHBondContact O-N 2.84Å |
| 272 | Y | 98.8 | Very high | 96.4 | Very high | 30 Ų | 30 | 66.9 Ų | 66.9 | 12% | 0.118 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 137.2 | 172.1 | 174 | -92.2 | 0 | 0 | 0 | 109 | E212 D215 M219 Q274 S287 Y288 A289 | E212-Y272 WeakPolarHBondContact CA-OH 3.36Å; E212-Y272 HydrophobicContact CB-CE1 3.98Å; E212-Y272 HydrophobicContact CG-CD1 4.24Å; E212-Y272 HydrophobicContact CG-CE1 3.6Å; D215-Y272 HydrophobicContact CB-CE2 3.65Å; D215-Y272 PolarHBondContact OD2-OH 2.68Å; M219-Y272 HydrophobicContact CE-CD2 4.48Å; M219-Y272 HydrophobicContact SD-CD2 3.78Å; M219-Y272 HydrophobicContact SD-CE2 4.47Å; M219-Y272 HydrophobicContact SD-CG 4.4Å; Y272-Q274 HydrophobicContact CE1-CG 3.97Å; Y272-Q274 WeakPolarHBondContact OH-CG 3.5Å; Y272-Q274 PolarHBondContact OH-NE2 2.82Å; Y272-S287 PolarHBondContact OH-OG 2.77Å; Y272-S287 VanDerWaalsContact OH-OG 3.13Å; Y272-Y288 CarbonylContact C-O 3.56Å; Y272-Y288 VanDerWaalsContact CA-O 3.31Å; Y272-Y288 WeakPolarHBondContact CA-O 3.49Å; Y272-A289 HydrophobicContact CD2-CB 4.23Å |
| 273 | T | 98.6 | Very high | 97 | Very high | 49 Ų | 49 | 62 Ų | 62 | 30% | 0.301 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 166.5 | 173.2 | -170.1 | 0 | 0 | 0 | 0 | 110.7 | C56 Y288 | C56-T273 HydrophobicContact CB-CG2 3.93Å; T273-Y288 HydrophobicContact CG2-CD2 3.92Å; T273-Y288 PolarHBondContact N-O 3.44Å; T273-Y288 PolarHBondContact O-N 3.32Å |
| 274 | Q | 98.5 | Very high | 97.4 | Very high | 25 Ų | 25 | 60 Ų | 60 | 12% | 0.117 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 143 | 178.5 | -73.6 | 173.7 | -24.6 | 0 | 0 | 109.1 | F208 Y272 N276 | F208-Q274 PolarHBondContact O-NE2 2.78Å; Y272-Q274 HydrophobicContact CE1-CG 3.97Å; Y272-Q274 WeakPolarHBondContact OH-CG 3.5Å; Y272-Q274 PolarHBondContact OH-NE2 2.82Å; Q274-N276 PolarHBondContact O-N 2.93Å |
| 275 | S | 98 | Very high | 97.8 | Very high | 42 Ų | 42 | 51.8 Ų | 51.8 | 29% | 0.294 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -63.4 | -27.3 | 175.7 | 72.4 | 0 | 0 | 0 | 0 | 112.5 | S285 V286 | S275-S285 WeakPolarHBondContact OG-CA 3.43Å; S275-V286 PolarHBondContact N-O 2.86Å; S275-V286 PolarHBondContact OG-N 2.88Å |
| 276 | N | 97.6 | Very high | 98 | Very high | 66 Ų | 66 | 50.7 Ų | 50.7 | 35% | 0.353 | 26% | 0.257 | S | S | . | . | trans | -153.3 | 140.8 | 176.6 | -176.1 | 22.7 | 0 | 0 | 0 | 110.3 | Q274 C278 S284 S285 | Q274-N276 PolarHBondContact O-N 2.93Å; N276-C278 PolarHBondContact O-N 3.38Å; N276-S284 WeakPolarHBondContact CB-O 3.42Å; N276-S284 PolarHBondContact ND2-O 3.31Å; N276-S285 PolarHBondContact N-OG 3.45Å; N276-S285 WeakPolarHBondContact O-CB 3.32Å; N276-S285 PolarHBondContact O-OG 3.23Å | ||
| 277 | Q | 97.8 | Very high | 98.1 | Very high | 105 Ų | 105 | 48.7 Ų | 48.7 | 49% | 0.491 | 24% | 0.244 | S | C | . | . | trans | -85.2 | 84.7 | 168.4 | -71.7 | -170.8 | -21.7 | 0 | 0 | 109.1 | F208 R279 | F208-Q277 HydrophobicContact CB-CB 4.03Å; F208-Q277 HydrophobicContact CB-CG 4.37Å; F208-Q277 HydrophobicContact CD1-CB 3.94Å; F208-Q277 HydrophobicContact CD2-CG 4.31Å; F208-Q277 HydrophobicContact CG-CB 3.91Å; F208-Q277 HydrophobicContact CG-CG 4.17Å; Q277-R279 PolarHBondContact O-N 3.24Å | ||
| 278 | C | 97.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -55 | 128.3 | 178.3 | -64.6 | 0 | 0 | 0 | 0 | 111.7 | W191 I207 F208 N276 D283 S285 | W191-C278 HydrophobicContact CE3-CB 4.27Å; W191-C278 HydrophobicContact CZ3-CB 4.11Å; I207-C278 HydrophobicContact CB-CB 4.22Å; I207-C278 WeakPolarHBondContact CB-O 3.44Å; I207-C278 HydrophobicContact CG2-CB 3.71Å; F208-C278 WeakPolarHBondContact CD1-O 3.45Å; F208-C278 PolarHBondContact N-O 2.91Å; F208-C278 VanDerWaalsContact N-O 3.07Å; N276-C278 PolarHBondContact O-N 3.38Å; C278-D283 WeakPolarHBondContact CA-OD2 3.25Å; C278-D283 HydrophobicContact CB-CB 3.79Å; C278-D283 WeakPolarHBondContact SG-CB 3.43Å; C278-S285 VanDerWaalsContact SG-CB 3.58Å | ||
| 279 | R | 97.5 | Very high | 98.1 | Very high | 150 Ų | 150 | 44.5 Ų | 44.5 | 57% | 0.566 | 22% | 0.224 | S | C | * | . | trans | -122.6 | -14 | 173.3 | -62.5 | -179.1 | 179.7 | -90.1 | 1.7 | 112 | E206 F208 Q277 D283 | E206-R279 WeakPolarHBondContact OE2-CG 3.25Å; E206-R279 IonicContact OE2-CZ 3.84Å; E206-R279 IonicContact OE2-NH1 2.84Å; E206-R279 PolarHBondContact OE2-NH1 3.37Å; F208-R279 HydrophobicContact CD1-CG 4.36Å; Q277-R279 PolarHBondContact O-N 3.24Å; R279-D283 PolarHBondContact N-OD2 3.12Å | ||
| 280 | S | 96.7 | Very high | 98.1 | Very high | 43 Ų | 43 | 43.3 Ų | 43.3 | 30% | 0.301 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -120.8 | 151.3 | 177 | 179.1 | 0 | 0 | 0 | 0 | 111.1 | H282 D283 | S280-H282 PolarHBondContact O-N 3.37Å; S280-H282 PolarHBondContact OG-N 3.16Å; S280-D283 PolarHBondContact N-OD2 3.04Å; S280-D283 WeakPolarHBondContact O-CB 3.38Å; S280-D283 PolarHBondContact O-N 3.08Å |
| 281 | I | 95.4 | Very high | 98.1 | Very high | 70 Ų | 70 | 41.8 Ų | 41.8 | 36% | 0.359 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -18 | 171.9 | -165.1 | 57.2 | 0 | 0 | 0 | 112.8 | W191 H193 T198 D283 | W191-I281 HydrophobicContact CH2-CD1 3.73Å; W191-I281 HydrophobicContact CZ2-CD1 4.03Å; H193-I281 PolarHBondContact CD2-O 3.17Å; H193-I281 VanDerWaalsContact CD2-O 3.27Å; H193-I281 WeakPolarHBondContact NE2-CG1 3.45Å; T198-I281 HydrophobicContact CG2-CD1 3.96Å; I281-D283 VanDerWaalsContact C-N 3.32Å |
| 282 | H | 97.1 | Very high | 98.1 | Very high | 160 Ų | 160 | 40 Ų | 40 | 74% | 0.741 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -11.1 | 175.1 | -57.9 | -54.5 | 0 | 0 | 0 | 113.3 | S280 | S280-H282 PolarHBondContact O-N 3.37Å; S280-H282 PolarHBondContact OG-N 3.16Å |
| 283 | D | 98.2 | Very high | 98.1 | Very high | 51 Ų | 51 | 38.6 Ų | 38.6 | 27% | 0.273 | 20% | 0.196 | S | C | . | . | trans | -76.9 | 168.5 | 176.1 | -59.1 | -29.3 | 0 | 0 | 0 | 111 | W191 C278 R279 S280 I281 | W191-D283 WeakPolarHBondContact CZ3-O 3.44Å; C278-D283 WeakPolarHBondContact CA-OD2 3.25Å; C278-D283 HydrophobicContact CB-CB 3.79Å; C278-D283 WeakPolarHBondContact SG-CB 3.43Å; R279-D283 PolarHBondContact N-OD2 3.12Å; S280-D283 PolarHBondContact N-OD2 3.04Å; S280-D283 WeakPolarHBondContact O-CB 3.38Å; S280-D283 PolarHBondContact O-N 3.08Å; I281-D283 VanDerWaalsContact C-N 3.32Å | ||
| 284 | S | 98.3 | Very high | 98.1 | Very high | 32 Ų | 32 | 36.3 Ų | 36.3 | 22% | 0.224 | 18% | 0.182 | C | C | . | . | trans | -142.8 | 155.7 | 165.1 | 63.5 | 0 | 0 | 0 | 0 | 110.4 | W191 R194 N276 | W191-S284 CarbonylContact O-C 3.5Å; W191-S284 WeakPolarHBondContact O-CA 3.31Å; W191-S284 VanDerWaalsContact O-CB 3.24Å; W191-S284 WeakPolarHBondContact O-CB 3.29Å; R194-S284 PolarHBondContact NE-OG 2.97Å; N276-S284 WeakPolarHBondContact CB-O 3.42Å; N276-S284 PolarHBondContact ND2-O 3.31Å | ||
| 285 | S | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 150.4 | 179.5 | -164.8 | 0 | 0 | 0 | 0 | 111 | W191 S275 N276 C278 | W191-S285 PolarHBondContact N-O 3.24Å; W191-S285 PolarHBondContact O-N 3.01Å; S275-S285 WeakPolarHBondContact OG-CA 3.43Å; N276-S285 PolarHBondContact N-OG 3.45Å; N276-S285 WeakPolarHBondContact O-CB 3.32Å; N276-S285 PolarHBondContact O-OG 3.23Å; C278-S285 VanDerWaalsContact SG-CB 3.58Å |
| 286 | V | 98.7 | Very high | 97.7 | Very high | 8 Ų | 8 | 40.1 Ų | 40.1 | 5% | 0.048 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 129 | 163.3 | -176.5 | 0 | 0 | 0 | 0 | 107.1 | D187 C189 F195 S275 Y288 | D187-V286 HydrophobicContact CB-CG1 3.83Å; C189-V286 VanDerWaalsContact O-CA 3.31Å; C189-V286 WeakPolarHBondContact O-CA 3.31Å; F195-V286 HydrophobicContact CE2-CG2 3.91Å; F195-V286 HydrophobicContact CZ-CG2 3.62Å; S275-V286 PolarHBondContact N-O 2.86Å; S275-V286 PolarHBondContact OG-N 2.88Å; V286-Y288 HydrophobicContact CB-CE1 4.02Å; V286-Y288 HydrophobicContact CG1-CD1 4.23Å; V286-Y288 HydrophobicContact CG1-CE1 3.51Å; V286-Y288 WeakPolarHBondContact O-CE2 3.47Å |
| 287 | S | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 146.2 | 175.7 | -59.8 | 0 | 0 | 0 | 0 | 111.4 | F188 C189 I211 D215 Y272 | F188-S287 PolarHBondContact N-O 3.07Å; C189-S287 PolarHBondContact O-N 3.2Å; I211-S287 WeakPolarHBondContact CG2-OG 3.32Å; D215-S287 WeakPolarHBondContact OD2-CB 3.34Å; D215-S287 PolarHBondContact OD2-OG 2.81Å; Y272-S287 PolarHBondContact OH-OG 2.77Å; Y272-S287 VanDerWaalsContact OH-OG 3.13Å |
| 288 | Y | 98.8 | Very high | 96.1 | Very high | 8 Ų | 8 | 40.7 Ų | 40.7 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 130.8 | 178.8 | -47.8 | -62.7 | 0 | 0 | 0 | 108.9 | P46 A48 Y52 C53 D187 Y272 T273 V286 | P46-Y288 HydrophobicContact CB-CD1 3.75Å; P46-Y288 HydrophobicContact CB-CG 4.15Å; A48-Y288 HydrophobicContact CB-CD1 4.33Å; A48-Y288 HydrophobicContact CB-CE1 3.39Å; A48-Y288 WeakPolarHBondContact CB-OH 3.36Å; Y52-Y288 WeakPolarHBondContact CB-OH 3.49Å; C53-Y288 HydrophobicContact CB-CD1 3.71Å; C53-Y288 HydrophobicContact CB-CD2 3.77Å; C53-Y288 HydrophobicContact CB-CE1 4.06Å; C53-Y288 HydrophobicContact CB-CE2 4.11Å; C53-Y288 HydrophobicContact CB-CG 3.55Å; D187-Y288 HydrophobicContact CB-CD1 4.46Å; D187-Y288 WeakPolarHBondContact OD1-CD1 3.22Å; Y272-Y288 CarbonylContact C-O 3.56Å; Y272-Y288 VanDerWaalsContact CA-O 3.31Å; Y272-Y288 WeakPolarHBondContact CA-O 3.49Å; T273-Y288 HydrophobicContact CG2-CD2 3.92Å; T273-Y288 PolarHBondContact N-O 3.44Å; T273-Y288 PolarHBondContact O-N 3.32Å; V286-Y288 HydrophobicContact CB-CE1 4.02Å; V286-Y288 HydrophobicContact CG1-CD1 4.23Å; V286-Y288 HydrophobicContact CG1-CE1 3.51Å; V286-Y288 WeakPolarHBondContact O-CE2 3.47Å |
| 289 | A | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 148.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | F188 M219 F269 N271 Y272 | F188-A289 HydrophobicContact CD2-CB 3.92Å; F188-A289 HydrophobicContact CE1-CB 4.32Å; F188-A289 HydrophobicContact CE2-CB 3.73Å; F188-A289 HydrophobicContact CG-CB 4.32Å; F188-A289 HydrophobicContact CZ-CB 3.94Å; M219-A289 HydrophobicContact CE-CB 4.26Å; M219-A289 HydrophobicContact SD-CB 4.2Å; F269-A289 HydrophobicContact CD1-CB 3.72Å; F269-A289 HydrophobicContact CE1-CB 3.71Å; N271-A289 WeakPolarHBondContact O-CA 3.41Å; Y272-A289 HydrophobicContact CD2-CB 4.23Å |
| 290 | S | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 137.7 | 174.2 | 61.3 | 0 | 0 | 0 | 0 | 110.1 | I44 C56 Y59 F269 L270 N271 | I44-S290 VanDerWaalsContact O-CA 3.29Å; I44-S290 WeakPolarHBondContact O-CA 3.37Å; C56-S290 VanDerWaalsContact O-CB 3.23Å; C56-S290 WeakPolarHBondContact O-CB 3.17Å; C56-S290 PolarHBondContact O-OG 3.17Å; Y59-S290 WeakPolarHBondContact CB-OG 3.43Å; F269-S290 WeakPolarHBondContact CA-O 3.37Å; L270-S290 PolarHBondContact N-O 3.31Å; N271-S290 WeakPolarHBondContact CB-OG 3.24Å; N271-S290 PolarHBondContact N-O 3.27Å; N271-S290 PolarHBondContact O-N 2.84Å |
| 291 | G | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 163.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I43 I44 Q268 | I43-G291 CarbonylContact C-O 3.55Å; I43-G291 VanDerWaalsContact CA-O 3.24Å; I43-G291 WeakPolarHBondContact CA-O 3.37Å; I43-G291 WeakPolarHBondContact CB-O 3.27Å; I44-G291 PolarHBondContact N-O 3.19Å; I44-G291 PolarHBondContact O-N 3.14Å; I44-G291 VanDerWaalsContact O-N 3.09Å; Q268-G291 CarbonylContact O-C 3.57Å; Q268-G291 WeakPolarHBondContact O-CA 3.37Å |
| 292 | S | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 148.2 | 178.6 | 64 | 0 | 0 | 0 | 0 | 111.4 | H37 V42 F267 Q268 | H37-S292 WeakPolarHBondContact CB-OG 3.47Å; H37-S292 PolarHBondContact CE1-O 3.04Å; H37-S292 PolarHBondContact ND1-O 2.69Å; H37-S292 PolarHBondContact ND1-OG 3.39Å; H37-S292 PolarHBondContact O-OG 2.84Å; V42-S292 CarbonylContact O-C 3.57Å; V42-S292 WeakPolarHBondContact O-CA 3.33Å; F267-S292 WeakPolarHBondContact CA-O 3.45Å; Q268-S292 PolarHBondContact N-O 3.21Å; Q268-S292 PolarHBondContact O-N 2.88Å |
| 293 | L | 98.7 | Very high | 95.9 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 127.8 | 167.7 | -165.2 | 148.2 | 0 | 0 | 0 | 108.6 | A40 R41 V42 L225 A265 S266 F267 I295 | A40-L293 CarbonylContact C-O 3.54Å; A40-L293 WeakPolarHBondContact CA-O 3.29Å; R41-L293 HydrophobicContact CB-CD2 4.3Å; R41-L293 PolarHBondContact N-O 2.85Å; V42-L293 HydrophobicContact CB-CB 3.63Å; V42-L293 HydrophobicContact CB-CD1 4.47Å; V42-L293 HydrophobicContact CG2-CB 4Å; V42-L293 HydrophobicContact CG2-CD1 4.14Å; V42-L293 HydrophobicContact CG2-CD2 4.31Å; V42-L293 HydrophobicContact CG2-CG 4.4Å; V42-L293 PolarHBondContact N-O 3.01Å; V42-L293 PolarHBondContact O-N 3.33Å; L225-L293 HydrophobicContact CD1-CD1 4.22Å; L225-L293 HydrophobicContact CD2-CD1 3.69Å; A265-L293 HydrophobicContact CB-CD2 4.12Å; S266-L293 CarbonylContact O-C 3.59Å; S266-L293 VanDerWaalsContact O-CA 3.27Å; S266-L293 WeakPolarHBondContact O-CA 3.44Å; F267-L293 HydrophobicContact CD2-CB 3.68Å; F267-L293 HydrophobicContact CD2-CD1 4.19Å; F267-L293 HydrophobicContact CD2-CG 4.3Å; F267-L293 HydrophobicContact CE2-CB 4.31Å; L293-I295 HydrophobicContact CD2-CD1 3.9Å; L293-I295 HydrophobicContact CD2-CG1 3.35Å |
| 294 | V | 98.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 142.6 | 168 | -59.2 | 0 | 0 | 0 | 0 | 109.7 | H37 A265 S266 | H37-V294 VanDerWaalsContact C-CG1 3.45Å; H37-V294 WeakPolarHBondContact NE2-CG2 3.33Å; H37-V294 VanDerWaalsContact O-CG1 3.26Å; H37-V294 WeakPolarHBondContact O-CG1 3.47Å; A265-V294 WeakPolarHBondContact CA-O 3.43Å; S266-V294 PolarHBondContact N-O 2.87Å; S266-V294 PolarHBondContact O-N 2.66Å |
| 295 | I | 97.1 | Very high | 95.6 | Very high | 24 Ų | 24 | 24.9 Ų | 24.9 | 12% | 0.123 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 121.1 | 174.5 | -59.3 | 179.1 | 0 | 0 | 0 | 107.5 | R41 L175 F257 H263 A265 L293 | R41-I295 HydrophobicContact CB-CD1 4.06Å; R41-I295 HydrophobicContact CB-CG1 4.09Å; R41-I295 HydrophobicContact CG-CB 3.98Å; R41-I295 HydrophobicContact CG-CD1 4.12Å; R41-I295 HydrophobicContact CG-CG1 3.89Å; L175-I295 HydrophobicContact CD1-CD1 3.97Å; L175-I295 HydrophobicContact CD2-CD1 4.23Å; L175-I295 HydrophobicContact CG-CD1 3.91Å; F257-I295 HydrophobicContact CD1-CD1 4.2Å; F257-I295 HydrophobicContact CE1-CD1 3.81Å; F257-I295 HydrophobicContact CE1-CG1 4.38Å; F257-I295 HydrophobicContact CE1-CG2 3.66Å; F257-I295 HydrophobicContact CZ-CD1 4.04Å; F257-I295 HydrophobicContact CZ-CG2 3.68Å; H263-I295 HydrophobicContact CB-CG2 3.59Å; A265-I295 HydrophobicContact CB-CG1 4.41Å; L293-I295 HydrophobicContact CD2-CD1 3.9Å; L293-I295 HydrophobicContact CD2-CG1 3.35Å |
| 296 | R | 92.1 | Very high | 95.4 | Very high | 123 Ų | 123 | 26.8 Ų | 26.8 | 46% | 0.464 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 149.6 | 178.6 | -63 | -175.5 | 179.5 | 112.5 | 0.7 | 110.4 | H263 R264 | H263-R296 CarbonylContact C-O 3.42Å; H263-R296 WeakPolarHBondContact CA-O 3.43Å; H263-R296 WeakPolarHBondContact CB-O 3.46Å; H263-R296 PolarHBondContact CD2-O 3.18Å; R264-R296 PolarHBondContact N-O 3.01Å; R264-R296 PolarHBondContact O-N 3.32Å |
| 297 | P | 86.1 | Confident | 95.1 | Very high | 108 Ų | 108 | 28.3 Ų | 28.3 | 70% | 0.701 | 18% | 0.175 | S | C | * | . | trans | -51.2 | 144.1 | 167.1 | -25.2 | 35.2 | 0 | 0 | 0 | 111.1 | ||||
| 298 | G | 76 | Confident | 94.8 | Very high | 74 Ų | 74 | 30.9 Ų | 30.9 | 76% | 0.763 | 19% | 0.191 | S | C | * | . | trans | -67 | 0 | -173 | 0 | 0 | 0 | 0 | 0 | 116.3 | N262 R264 | N262-G298 WeakPolarHBondContact O-CA 3.49Å; R264-G298 VanDerWaalsContact CZ-OXT 3.28Å; R264-G298 PolarHBondContact NE-OXT 3.27Å; R264-G298 PolarHBondContact NH2-OXT 3.25Å |
Retrieved 298 of 298 residues in 719.4 ms
(Link to these results)