| 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 | 28.5 | Very low | 69 | Low | 231 Ų | 231 | 89.1 Ų | 89.1 | 100% | 1.138 | 50% | 0.504 | S | S | * | . | 0 | 2.1 | 0 | -78.2 | -156.3 | 155.7 | 0 | 0 | 114.3 | |||||
| 2 | S | 34.3 | Very low | 70.8 | Confident | 118 Ų | 118 | 89.3 Ų | 89.3 | 83% | 0.825 | 49% | 0.491 | S | S | * | . | trans | -96.9 | -0.7 | 179.2 | 49 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 3 | S | 42.7 | Very low | 72.3 | Confident | 116 Ų | 116 | 86.8 Ų | 86.8 | 81% | 0.811 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -93.4 | 7.5 | -179 | 61.3 | 0 | 0 | 0 | 0 | 114.5 | ||
| 4 | S | 55.4 | Low | 73.5 | Confident | 75 Ų | 75 | 82.1 Ų | 82.1 | 52% | 0.524 | 45% | 0.445 | S | S | . | . | trans | -84.7 | -12.7 | -177.3 | 53.2 | 0 | 0 | 0 | 0 | 114.4 | G6 | S4-G6 PolarHBondContact O-N 3.24Š| ||
| 5 | E | 67.6 | Low | 74.4 | Confident | 180 Ų | 180 | 85.1 Ų | 85.1 | 84% | 0.841 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -78.6 | 103.9 | 174.7 | -69.8 | -169.8 | 159.9 | 0 | 0 | 109.3 | ||
| 6 | G | 81.4 | Confident | 74.9 | Confident | 20 Ų | 20 | 85.5 Ų | 85.5 | 21% | 0.206 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 155.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S4 V92 | S4-G6 PolarHBondContact O-N 3.24Å; G6-V92 CarbonylContact C-O 3.57Å; G6-V92 WeakPolarHBondContact CA-O 3.49Å |
| 7 | K | 87.7 | Confident | 75.2 | Confident | 77 Ų | 77 | 88.5 Ų | 88.5 | 34% | 0.335 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 129.1 | 180 | -160.7 | -177.1 | -165.1 | -168.7 | 0 | 110 | D31 F32 N70 V92 | K7-D31 PolarHBondContact NZ-O 3.17Å; K7-F32 HydrophobicContact CB-CE1 4.11Å; K7-F32 HydrophobicContact CB-CZ 4.4Å; K7-F32 HydrophobicContact CD-CE1 3.99Å; K7-F32 HydrophobicContact CD-CZ 4.07Å; K7-N70 WeakPolarHBondContact CE-OD1 3.33Å; K7-N70 PolarHBondContact NZ-OD1 3.46Å; K7-V92 PolarHBondContact N-O 3.26Å; K7-V92 PolarHBondContact O-N 2.9Å |
| 8 | T | 89.8 | Confident | 75.4 | Confident | 83 Ų | 83 | 87.3 Ų | 87.3 | 51% | 0.509 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 124 | 174 | -56.4 | 0 | 0 | 0 | 0 | 109.7 | D89 V90 | T8-D89 HydrophobicContact CG2-CB 3.98Å; T8-V90 CarbonylContact C-O 3.58Å; T8-V90 WeakPolarHBondContact CA-O 2.94Å |
| 9 | C | 90.2 | Very high | 75.2 | Confident | 2 Ų | 2 | 95.5 Ų | 95.5 | 1% | 0.014 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 153.5 | -178.6 | -58.7 | 0 | 0 | 0 | 0 | 110.7 | N70 V72 V90 V92 | C9-N70 CarbonylContact C-O 3.48Å; C9-N70 VanDerWaalsContact CA-O 3.23Å; C9-N70 WeakPolarHBondContact CA-O 3.37Å; C9-N70 WeakPolarHBondContact CB-O 3.46Å; C9-V72 HydrophobicContact CB-CG1 4.04Å; C9-V72 HydrophobicContact CB-CG2 3.92Å; C9-V90 PolarHBondContact N-O 3.05Å; C9-V90 WeakPolarHBondContact O-CG2 3.45Å; C9-V90 PolarHBondContact O-N 3.32Å; C9-V92 HydrophobicContact CB-CG2 4.2Å |
| 10 | K | 90.5 | Very high | 75.2 | Confident | 78 Ų | 78 | 93.5 Ų | 93.5 | 34% | 0.339 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 127.4 | 167 | -79.1 | -68 | -176.8 | -156.9 | 0 | 109.9 | N70 T71 V72 Y87 D89 | K10-N70 PolarHBondContact N-O 3.46Å; K10-T71 HydrophobicContact CB-CG2 4.43Å; K10-T71 WeakPolarHBondContact O-CA 3.41Å; K10-T71 WeakPolarHBondContact O-CG2 3.3Å; K10-V72 PolarHBondContact O-N 3.37Å; K10-Y87 WeakPolarHBondContact CD-O 2.98Å; K10-Y87 PolarHBondContact NZ-O 3.36Å; K10-Y87 VanDerWaalsContact NZ-O 3.12Å; K10-D89 VanDerWaalsContact CD-OD1 3.26Å; K10-D89 WeakPolarHBondContact CD-OD1 3.16Å; K10-D89 WeakPolarHBondContact CE-OD1 3.47Å; K10-D89 VanDerWaalsContact NZ-CG 3.25Å; K10-D89 IonicContact NZ-OD1 3.63Å; K10-D89 PolarHBondContact NZ-OD1 2.89Å; K10-D89 IonicContact NZ-OD2 2.71Å; K10-D89 PolarHBondContact NZ-OD2 3.48Å; K10-D89 VanDerWaalsContact NZ-OD2 3.16Å |
| 11 | L | 91 | Very high | 75.2 | Confident | 0 Ų | 0 | 96.4 Ų | 96.4 | 0% | 0 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 130.6 | 179.1 | -177.8 | 61.9 | 0 | 0 | 0 | 112.1 | F13 V72 V74 L84 N86 Y87 G88 V90 | L11-F13 HydrophobicContact CD2-CE1 3.69Å; L11-F13 HydrophobicContact CG-CD1 4.31Å; L11-F13 HydrophobicContact CG-CE1 3.88Å; L11-V72 CarbonylContact C-O 3.5Å; L11-V72 WeakPolarHBondContact CA-O 3.49Å; L11-V72 HydrophobicContact CD1-CG2 4.07Å; L11-V74 HydrophobicContact CD1-CB 3.97Å; L11-V74 HydrophobicContact CD1-CG2 3.6Å; L11-L84 HydrophobicContact CD2-CB 3.62Å; L11-L84 HydrophobicContact CD2-CD1 3.89Å; L11-L84 HydrophobicContact CD2-CG 4.3Å; L11-N86 PolarHBondContact O-OD1 3.29Å; L11-Y87 VanDerWaalsContact O-CA 3.31Å; L11-Y87 WeakPolarHBondContact O-CA 3.35Å; L11-Y87 PolarHBondContact O-N 3.22Å; L11-G88 PolarHBondContact N-O 3.36Å; L11-G88 VanDerWaalsContact N-O 3.08Å; L11-V90 HydrophobicContact CB-CG1 4.01Å; L11-V90 HydrophobicContact CB-CG2 3.86Å; L11-V90 HydrophobicContact CD2-CG1 3.92Å |
| 12 | W | 90.2 | Very high | 77.4 | Confident | 91 Ų | 91 | 90.5 Ų | 90.5 | 35% | 0.345 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 150.8 | 173.7 | -76.9 | 34.1 | 0 | 0 | 0 | 110.8 | T71 V72 S73 V74 Y87 | W12-T71 HydrophobicContact CB-CG2 4.49Å; W12-T71 HydrophobicContact CD2-CG2 4.02Å; W12-T71 HydrophobicContact CG-CG2 3.75Å; W12-V72 PolarHBondContact N-O 3.17Å; W12-S73 CarbonylContact O-C 3.51Å; W12-S73 WeakPolarHBondContact O-CA 3.33Å; W12-S73 VanDerWaalsContact O-CB 3.3Å; W12-S73 WeakPolarHBondContact O-CB 3.43Å; W12-S73 PolarHBondContact O-OG 3.33Å; W12-V74 PolarHBondContact O-N 3.04Å; W12-Y87 HydrophobicContact CD2-CE1 4.39Å; W12-Y87 AromaticContact CE2-CE1 3.79Å; W12-Y87 HydrophobicContact CZ2-CE1 4.12Å; W12-Y87 AromaticContact NE1-CD1 3.74Å; W12-Y87 AromaticContact NE1-CE1 3.64Å |
| 13 | F | 91.1 | Very high | 79.7 | Confident | 57 Ų | 57 | 85.6 Ų | 85.6 | 25% | 0.25 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 135.4 | 173.7 | -56.8 | -15.8 | 0 | 0 | 0 | 111.2 | L11 V74 E76 A79 L84 N86 | L11-F13 HydrophobicContact CD2-CE1 3.69Å; L11-F13 HydrophobicContact CG-CD1 4.31Å; L11-F13 HydrophobicContact CG-CE1 3.88Å; F13-V74 WeakPolarHBondContact CA-O 3.37Å; F13-E76 HydrophobicContact CB-CB 4.18Å; F13-E76 HydrophobicContact CB-CG 4.42Å; F13-E76 HydrophobicContact CD2-CG 4.36Å; F13-A79 HydrophobicContact CD1-CB 3.64Å; F13-A79 HydrophobicContact CD2-CB 4.4Å; F13-A79 HydrophobicContact CE1-CB 3.35Å; F13-A79 HydrophobicContact CE2-CB 4.1Å; F13-A79 HydrophobicContact CG-CB 4.21Å; F13-A79 HydrophobicContact CZ-CB 3.6Å; F13-L84 WeakPolarHBondContact CZ-O 3.09Å; F13-N86 HydrophobicContact CD2-CB 3.83Å; F13-N86 HydrophobicContact CE1-CB 4.19Å; F13-N86 HydrophobicContact CE2-CB 3.51Å; F13-N86 HydrophobicContact CG-CB 4.31Å; F13-N86 HydrophobicContact CZ-CB 3.69Å; F13-N86 PolarHBondContact N-OD1 2.76Å |
| 14 | H | 89.2 | Confident | 81.7 | Confident | 21 Ų | 21 | 80.9 Ų | 80.9 | 10% | 0.097 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 157.2 | 169.9 | 67.7 | -87.3 | 0 | 0 | 0 | 110.5 | L23 L26 S73 V74 D75 E76 | H14-L23 PolarHBondContact NE2-O 3.2Å; H14-L23 VanDerWaalsContact NE2-O 3.08Å; H14-L26 HydrophobicContact CB-CD1 4.25Å; H14-S73 PolarHBondContact N-OG 2.88Å; H14-S73 PolarHBondContact ND1-OG 2.96Å; H14-V74 PolarHBondContact N-O 3.18Å; H14-V74 VanDerWaalsContact N-O 3.16Å; H14-V74 PolarHBondContact ND1-O 3.19Å; H14-D75 PolarHBondContact CE1-N 2.98Å; H14-E76 PolarHBondContact O-N 3.37Å |
| 15 | K | 87 | Confident | 83.2 | Confident | 128 Ų | 128 | 77.9 Ų | 77.9 | 56% | 0.557 | 37% | 0.369 | S | S | * | . | trans | -99.9 | 141.8 | 171.7 | -68.9 | -179.6 | 175.5 | -179.5 | 0 | 109.5 | E17 E76 | K15-E17 VanDerWaalsContact C-N 3.27Å; K15-E17 HydrophobicContact CB-CG 4.3Å; K15-E17 PolarHBondContact O-N 3.21Å; K15-E76 WeakPolarHBondContact CE-OE2 3.48Å; K15-E76 VanDerWaalsContact CG-OE2 3.31Å; K15-E76 WeakPolarHBondContact CG-OE2 3.37Å | ||
| 16 | R | 81.2 | Confident | 84.1 | Confident | 91 Ų | 91 | 69.5 Ų | 69.5 | 34% | 0.343 | 33% | 0.33 | S | S | . | . | trans | -71.6 | 78.2 | 177.3 | -69.8 | 178.6 | -157.2 | -125.8 | -2.5 | 111.4 | R21 D24 D75 | R16-R21 WeakPolarHBondContact CB-O 3.32Å; R16-D24 IonicContact CZ-OD1 3.72Å; R16-D24 IonicContact NH1-OD1 2.74Å; R16-D24 PolarHBondContact NH1-OD1 2.98Å; R16-D24 IonicContact NH2-OD1 2.64Å; R16-D24 PolarHBondContact NH2-OD1 3.35Å; R16-D75 WeakPolarHBondContact CG-OD1 3.43Å; R16-D75 IonicContact CZ-OD1 3.26Å; R16-D75 IonicContact CZ-OD2 3.89Å; R16-D75 IonicContact NE-OD1 3.65Å; R16-D75 PolarHBondContact NE-OD1 3.13Å; R16-D75 IonicContact NE-OD2 2.71Å; R16-D75 PolarHBondContact NE-OD2 2.86Å; R16-D75 VanDerWaalsContact NH2-CG 3.31Å; R16-D75 IonicContact NH2-OD1 3.84Å; R16-D75 IonicContact NH2-OD2 3.19Å; R16-D75 PolarHBondContact NH2-OD2 3.4Å | ||
| 17 | E | 80.7 | Confident | 84.2 | Confident | 137 Ų | 137 | 68.8 Ų | 68.8 | 64% | 0.64 | 32% | 0.321 | S | S | * | . | trans | -131.6 | 151.1 | -179.1 | -65.7 | 179.7 | -170.1 | 0 | 0 | 111.7 | K15 R19 I20 | K15-E17 VanDerWaalsContact C-N 3.27Å; K15-E17 HydrophobicContact CB-CG 4.3Å; K15-E17 PolarHBondContact O-N 3.21Å; E17-R19 PolarHBondContact O-N 3.2Å; E17-I20 PolarHBondContact O-N 3.49Å | ||
| 18 | G | 78.9 | Confident | 83.8 | Confident | 67 Ų | 67 | 65.7 Ų | 65.7 | 69% | 0.691 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | 57.8 | -124.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114 | I20 R21 | G18-I20 PolarHBondContact O-N 2.8Å; G18-R21 WeakPolarHBondContact O-CG 3.35Å |
| 19 | R | 72.3 | Confident | 83.2 | Confident | 243 Ų | 243 | 63.5 Ų | 63.5 | 92% | 0.917 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -73 | -12.3 | -177.6 | -67.8 | -174.1 | -180 | -176.7 | 0.7 | 114.1 | E17 | E17-R19 PolarHBondContact O-N 3.2Š|
| 20 | I | 75.1 | Confident | 82.5 | Confident | 54 Ų | 54 | 71.8 Ų | 71.8 | 28% | 0.277 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -108.5 | 1.7 | -173.1 | -55.4 | 173.9 | 0 | 0 | 0 | 111.2 | E17 G18 D22 L23 L26 | E17-I20 PolarHBondContact O-N 3.49Å; G18-I20 PolarHBondContact O-N 2.8Å; I20-D22 PolarHBondContact O-N 3.38Å; I20-L23 HydrophobicContact CG2-CB 4.04Å; I20-L23 HydrophobicContact CG2-CD1 4.18Å; I20-L23 PolarHBondContact O-N 3.04Å; I20-L26 HydrophobicContact CD1-CD1 4.13Å; I20-L26 HydrophobicContact CG2-CD1 3.92Å; I20-L26 HydrophobicContact CG2-CD2 3.95Å; I20-L26 HydrophobicContact CG2-CG 4.26Å |
| 21 | R | 75.4 | Confident | 81.9 | Confident | 155 Ų | 155 | 69.1 Ų | 69.1 | 59% | 0.585 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -27.7 | -174.1 | 64.9 | 167.8 | -164.2 | -161.6 | 0.3 | 116.1 | R16 G18 | R16-R21 WeakPolarHBondContact CB-O 3.32Å; G18-R21 WeakPolarHBondContact O-CG 3.35Å |
| 22 | D | 74.5 | Confident | 81.5 | Confident | 108 Ų | 108 | 70.3 Ų | 70.3 | 58% | 0.578 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | 9.7 | -173.2 | -55.7 | -40.5 | 0 | 0 | 0 | 112.2 | I20 | I20-D22 PolarHBondContact O-N 3.38Š|
| 23 | L | 81.1 | Confident | 80.9 | Confident | 15 Ų | 15 | 70.8 Ų | 70.8 | 8% | 0.079 | 34% | 0.342 | C | S | . | . | trans | -108.1 | 126.9 | -175.8 | -62 | 174.5 | 0 | 0 | 0 | 110.9 | H14 I20 L26 N58 R59 I61 | H14-L23 PolarHBondContact NE2-O 3.2Å; H14-L23 VanDerWaalsContact NE2-O 3.08Å; I20-L23 HydrophobicContact CG2-CB 4.04Å; I20-L23 HydrophobicContact CG2-CD1 4.18Å; I20-L23 PolarHBondContact O-N 3.04Å; L23-L26 HydrophobicContact CB-CD2 4.34Å; L23-L26 HydrophobicContact CD1-CD2 3.74Å; L23-N58 HydrophobicContact CD2-CB 3.82Å; L23-R59 HydrophobicContact CD2-CB 4.12Å; L23-I61 HydrophobicContact CD1-CD1 3.37Å; L23-I61 HydrophobicContact CD1-CG1 4.5Å | ||
| 24 | D | 84.6 | Confident | 80.5 | Confident | 16 Ų | 16 | 74.7 Ų | 74.7 | 9% | 0.086 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -85.4 | -24.4 | 174.5 | -68.1 | -20.4 | 0 | 0 | 0 | 111.3 | R16 V74 D75 L78 K135 | R16-D24 IonicContact CZ-OD1 3.72Å; R16-D24 IonicContact NH1-OD1 2.74Å; R16-D24 PolarHBondContact NH1-OD1 2.98Å; R16-D24 IonicContact NH2-OD1 2.64Å; R16-D24 PolarHBondContact NH2-OD1 3.35Å; D24-V74 WeakPolarHBondContact O-CA 3.37Å; D24-D75 PolarHBondContact O-N 3.26Å; D24-L78 HydrophobicContact CB-CD1 3.65Å; D24-K135 IonicContact OD2-NZ 3.81Å |
| 25 | F | 88.1 | Confident | 80.3 | Confident | 13 Ų | 13 | 74.4 Ų | 74.4 | 6% | 0.057 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 140.2 | -172.2 | -179.1 | -109.5 | 0 | 0 | 0 | 112.2 | Y27 L41 I43 V55 V72 S73 V74 V92 | F25-Y27 AromaticContact CD1-CD1 3.83Å; F25-Y27 HydrophobicContact CD1-CD1 3.83Å; F25-Y27 AromaticContact CE1-CD1 3.54Å; F25-Y27 HydrophobicContact CE1-CD1 3.54Å; F25-Y27 HydrophobicContact CE1-CE1 4.44Å; F25-Y27 AromaticContact CE1-CG 3.87Å; F25-Y27 HydrophobicContact CE1-CG 3.87Å; F25-L41 HydrophobicContact CD1-CD1 4Å; F25-L41 HydrophobicContact CE1-CD1 3.36Å; F25-L41 HydrophobicContact CZ-CD1 3.82Å; F25-I43 HydrophobicContact CD2-CD1 3.6Å; F25-I43 HydrophobicContact CE2-CD1 3.42Å; F25-I43 VanDerWaalsContact CE2-CD1 3.42Å; F25-I43 HydrophobicContact CZ-CD1 4.33Å; F25-V55 HydrophobicContact CB-CB 3.94Å; F25-V55 HydrophobicContact CB-CG1 4.27Å; F25-V55 HydrophobicContact CB-CG2 3.83Å; F25-V55 HydrophobicContact CD1-CG2 4.19Å; F25-V55 HydrophobicContact CD2-CG2 3.92Å; F25-V55 HydrophobicContact CG-CB 4.39Å; F25-V55 HydrophobicContact CG-CG2 3.72Å; F25-V72 HydrophobicContact CE2-CB 3.66Å; F25-V72 HydrophobicContact CE2-CG1 4.06Å; F25-V72 HydrophobicContact CE2-CG2 4.21Å; F25-V72 HydrophobicContact CZ-CB 3.91Å; F25-V72 HydrophobicContact CZ-CG1 3.77Å; F25-S73 CarbonylContact C-O 3.55Å; F25-S73 WeakPolarHBondContact CA-O 3.41Å; F25-S73 WeakPolarHBondContact CD2-O 3.34Å; F25-V74 HydrophobicContact CD2-CG2 3.97Å; F25-V92 HydrophobicContact CZ-CG1 4.47Å |
| 26 | L | 85.8 | Confident | 80.3 | Confident | 4 Ų | 4 | 74.9 Ų | 74.9 | 2% | 0.021 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 141.3 | 175.6 | -58.1 | 172 | 0 | 0 | 0 | 110.4 | H14 I20 L23 I61 F64 V72 S73 | H14-L26 HydrophobicContact CB-CD1 4.25Å; I20-L26 HydrophobicContact CD1-CD1 4.13Å; I20-L26 HydrophobicContact CG2-CD1 3.92Å; I20-L26 HydrophobicContact CG2-CD2 3.95Å; I20-L26 HydrophobicContact CG2-CG 4.26Å; L23-L26 HydrophobicContact CB-CD2 4.34Å; L23-L26 HydrophobicContact CD1-CD2 3.74Å; L26-I61 HydrophobicContact CD2-CD1 3.38Å; L26-F64 HydrophobicContact CB-CD2 3.92Å; L26-F64 HydrophobicContact CB-CE2 3.78Å; L26-F64 HydrophobicContact CB-CG 4.42Å; L26-F64 HydrophobicContact CB-CZ 4.17Å; L26-F64 HydrophobicContact CD1-CD2 3.96Å; L26-F64 HydrophobicContact CD1-CE2 3.63Å; L26-F64 HydrophobicContact CG-CD2 4.49Å; L26-F64 HydrophobicContact CG-CE2 4.36Å; L26-V72 WeakPolarHBondContact O-CA 3.22Å; L26-S73 PolarHBondContact N-O 3.4Å; L26-S73 PolarHBondContact O-N 2.87Å |
| 27 | Y | 84.4 | Confident | 80.4 | Confident | 5 Ų | 5 | 74.9 Ų | 74.9 | 2% | 0.02 | 38% | 0.379 | C | S | . | . | trans | -151 | 162.1 | 177.4 | 66.9 | -74.4 | 0 | 0 | 0 | 109.7 | F25 F32 L35 V57 L60 | F25-Y27 AromaticContact CD1-CD1 3.83Å; F25-Y27 HydrophobicContact CD1-CD1 3.83Å; F25-Y27 AromaticContact CE1-CD1 3.54Å; F25-Y27 HydrophobicContact CE1-CD1 3.54Å; F25-Y27 HydrophobicContact CE1-CE1 4.44Å; F25-Y27 AromaticContact CE1-CG 3.87Å; F25-Y27 HydrophobicContact CE1-CG 3.87Å; Y27-F32 HydrophobicContact CD2-CB 3.97Å; Y27-F32 AromaticContact CD2-CD2 3.98Å; Y27-F32 HydrophobicContact CD2-CD2 3.98Å; Y27-F32 HydrophobicContact CD2-CG 4.35Å; Y27-F32 HydrophobicContact CE2-CB 4.18Å; Y27-F32 HydrophobicContact CG-CD2 4.45Å; Y27-L35 HydrophobicContact CD2-CD1 4.21Å; Y27-L35 HydrophobicContact CE2-CB 4.11Å; Y27-L35 HydrophobicContact CE2-CD1 3.95Å; Y27-V57 HydrophobicContact CE1-CG1 3.84Å; Y27-V57 HydrophobicContact CE1-CG2 4.32Å; Y27-V57 WeakPolarHBondContact OH-CG1 3.09Å; Y27-L60 HydrophobicContact CE2-CD2 4.47Å; Y27-L60 WeakPolarHBondContact OH-CD2 3.43Å | ||
| 28 | S | 79.6 | Confident | 80.6 | Confident | 11 Ų | 11 | 69.7 Ų | 69.7 | 8% | 0.077 | 36% | 0.362 | C | S | . | . | trans | -87.1 | 129.9 | 169.2 | -171 | 0 | 0 | 0 | 0 | 109.7 | K30 D31 F32 | S28-K30 PolarHBondContact O-N 3.29Å; S28-K30 VanDerWaalsContact O-N 3.14Å; S28-K30 PolarHBondContact OG-N 3.49Å; S28-D31 PolarHBondContact O-N 3.47Å; S28-F32 PolarHBondContact O-N 3.21Å | ||
| 29 | S | 75.9 | Confident | 81.1 | Confident | 37 Ų | 37 | 67.8 Ų | 67.8 | 26% | 0.259 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -23.8 | 172.5 | 56.4 | 0 | 0 | 0 | 0 | 112.6 | F32 P33 | S29-F32 CarbonylContact O-C 3.55Å; S29-F32 VanDerWaalsContact O-C 3.31Å; S29-P33 WeakPolarHBondContact O-CA 3.34Å |
| 30 | K | 76.8 | Confident | 82.1 | Confident | 176 Ų | 176 | 56.3 Ų | 56.3 | 77% | 0.765 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -33.7 | 173.3 | -64.8 | -178.3 | -179.6 | 176 | 0 | 112.9 | S28 | S28-K30 PolarHBondContact O-N 3.29Å; S28-K30 VanDerWaalsContact O-N 3.14Å; S28-K30 PolarHBondContact OG-N 3.49Å |
| 31 | D | 77.7 | Confident | 82.9 | Confident | 23 Ų | 23 | 53.8 Ų | 53.8 | 12% | 0.123 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -26.4 | -179.9 | -72 | -30.4 | 0 | 0 | 0 | 111.6 | K7 S28 N70 T71 | K7-D31 PolarHBondContact NZ-O 3.17Å; S28-D31 PolarHBondContact O-N 3.47Å; D31-N70 PolarHBondContact OD1-N 3Å; D31-N70 VanDerWaalsContact OD1-N 3.16Å; D31-N70 WeakPolarHBondContact OD2-CA 3.31Å; D31-N70 PolarHBondContact OD2-N 3.03Å; D31-T71 PolarHBondContact OD2-N 2.86Å |
| 32 | F | 81.8 | Confident | 83.7 | Confident | 25 Ų | 25 | 47.3 Ų | 47.3 | 11% | 0.11 | 26% | 0.256 | C | S | . | . | trans | -138.9 | 77 | -177.6 | -61.4 | -88.7 | 0 | 0 | 0 | 111.3 | K7 Y27 S28 S29 D34 L35 V72 V92 | K7-F32 HydrophobicContact CB-CE1 4.11Å; K7-F32 HydrophobicContact CB-CZ 4.4Å; K7-F32 HydrophobicContact CD-CE1 3.99Å; K7-F32 HydrophobicContact CD-CZ 4.07Å; Y27-F32 HydrophobicContact CD2-CB 3.97Å; Y27-F32 AromaticContact CD2-CD2 3.98Å; Y27-F32 HydrophobicContact CD2-CD2 3.98Å; Y27-F32 HydrophobicContact CD2-CG 4.35Å; Y27-F32 HydrophobicContact CE2-CB 4.18Å; Y27-F32 HydrophobicContact CG-CD2 4.45Å; S28-F32 PolarHBondContact O-N 3.21Å; S29-F32 CarbonylContact O-C 3.55Å; S29-F32 VanDerWaalsContact O-C 3.31Å; F32-D34 VanDerWaalsContact C-N 3.3Å; F32-D34 PolarHBondContact O-N 2.91Å; F32-L35 HydrophobicContact CB-CB 4.32Å; F32-L35 HydrophobicContact CB-CD1 3.4Å; F32-L35 HydrophobicContact CB-CG 3.75Å; F32-L35 HydrophobicContact CD1-CD1 3.88Å; F32-L35 HydrophobicContact CD1-CG 4.46Å; F32-L35 HydrophobicContact CD2-CD1 4.46Å; F32-L35 HydrophobicContact CG-CD1 3.69Å; F32-L35 HydrophobicContact CG-CG 4.41Å; F32-V72 HydrophobicContact CE2-CG1 3.74Å; F32-V72 HydrophobicContact CZ-CG1 4.2Å; F32-V92 HydrophobicContact CE1-CB 4.32Å; F32-V92 HydrophobicContact CE1-CG1 4.06Å; F32-V92 HydrophobicContact CZ-CB 4.02Å; F32-V92 HydrophobicContact CZ-CG1 3.92Å | ||
| 33 | P | 77.6 | Confident | 84.5 | Confident | 100 Ų | 100 | 42.1 Ų | 42.1 | 65% | 0.649 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -24.9 | -176 | 27.6 | -34.9 | 0 | 0 | 0 | 113.7 | S29 | S29-P33 WeakPolarHBondContact O-CA 3.34Š|
| 34 | D | 83.5 | Confident | 85 | Confident | 140 Ų | 140 | 43 Ų | 43 | 75% | 0.749 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 5.4 | -175.7 | -52 | -35.5 | 0 | 0 | 0 | 113.5 | F32 | F32-D34 VanDerWaalsContact C-N 3.3Å; F32-D34 PolarHBondContact O-N 2.91Å |
| 35 | L | 84.8 | Confident | 85.2 | Confident | 15 Ų | 15 | 42.9 Ų | 42.9 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | trans | -88.3 | 126.2 | 179.8 | -72.4 | -178.2 | 0 | 0 | 0 | 112 | Y27 F32 D39 L41 V57 K94 | Y27-L35 HydrophobicContact CD2-CD1 4.21Å; Y27-L35 HydrophobicContact CE2-CB 4.11Å; Y27-L35 HydrophobicContact CE2-CD1 3.95Å; F32-L35 HydrophobicContact CB-CB 4.32Å; F32-L35 HydrophobicContact CB-CD1 3.4Å; F32-L35 HydrophobicContact CB-CG 3.75Å; F32-L35 HydrophobicContact CD1-CD1 3.88Å; F32-L35 HydrophobicContact CD1-CG 4.46Å; F32-L35 HydrophobicContact CD2-CD1 4.46Å; F32-L35 HydrophobicContact CG-CD1 3.69Å; F32-L35 HydrophobicContact CG-CG 4.41Å; L35-D39 HydrophobicContact CD2-CB 4.24Å; L35-L41 HydrophobicContact CD1-CD1 3.89Å; L35-L41 HydrophobicContact CD1-CD2 4.08Å; L35-L41 HydrophobicContact CD2-CD2 3.62Å; L35-V57 HydrophobicContact CD1-CG2 4.39Å; L35-K94 HydrophobicContact CD2-CD 4.26Å | ||
| 36 | E | 86.3 | Confident | 84.9 | Confident | 138 Ų | 138 | 50.9 Ų | 50.9 | 65% | 0.645 | 27% | 0.265 | S | S | * | . | trans | -106.6 | 158.5 | 177.4 | -63.7 | -175.8 | 174.6 | 0 | 0 | 111.5 | G38 D39 V57 | E36-G38 PolarHBondContact O-N 3.45Å; E36-D39 PolarHBondContact N-OD2 2.99Å; E36-D39 WeakPolarHBondContact O-CB 3.39Å; E36-D39 PolarHBondContact O-N 3.22Å; E36-D39 VanDerWaalsContact O-N 3.15Å; E36-V57 WeakPolarHBondContact O-CB 3.44Å; E36-V57 WeakPolarHBondContact O-CG1 3.46Å | ||
| 37 | V | 84.1 | Confident | 84.6 | Confident | 90 Ų | 90 | 59.3 Ų | 59.3 | 55% | 0.545 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 126 | 173.3 | 177.6 | 0 | 0 | 0 | 0 | 109.2 | V57 L60 | V37-V57 CarbonylContact C-O 3.57Å; V37-V57 WeakPolarHBondContact CA-O 3.15Å; V37-L60 HydrophobicContact CG2-CD1 4.34Å; V37-L60 HydrophobicContact CG2-CG 4.23Å |
| 38 | G | 84.8 | Confident | 84.1 | Confident | 29 Ų | 29 | 61.1 Ų | 61.1 | 30% | 0.299 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 105.5 | -17.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | E36 Q56 V57 | E36-G38 PolarHBondContact O-N 3.45Å; G38-Q56 PolarHBondContact O-NE2 2.91Å; G38-V57 PolarHBondContact N-O 2.94Å |
| 39 | D | 89.7 | Confident | 83.3 | Confident | 26 Ų | 26 | 67.5 Ų | 67.5 | 14% | 0.139 | 34% | 0.342 | C | S | . | . | trans | -60.4 | 141.9 | 176 | -80.1 | -24 | 0 | 0 | 0 | 111.9 | L35 E36 Q56 V57 K94 | L35-D39 HydrophobicContact CD2-CB 4.24Å; E36-D39 PolarHBondContact N-OD2 2.99Å; E36-D39 WeakPolarHBondContact O-CB 3.39Å; E36-D39 PolarHBondContact O-N 3.22Å; E36-D39 VanDerWaalsContact O-N 3.15Å; D39-Q56 WeakPolarHBondContact O-CA 3.31Å; D39-V57 HydrophobicContact CB-CB 4.43Å; D39-V57 HydrophobicContact CB-CG2 4.14Å; D39-V57 PolarHBondContact O-N 3.09Å; D39-K94 VanDerWaalsContact CG-CE 3.41Å; D39-K94 WeakPolarHBondContact OD1-CE 3.38Å; D39-K94 IonicContact OD1-NZ 3Å; D39-K94 PolarHBondContact OD1-NZ 2.99Å; D39-K94 WeakPolarHBondContact OD2-CE 3.29Å; D39-K94 IonicContact OD2-NZ 2.73Å; D39-K94 PolarHBondContact OD2-NZ 3.37Å | ||
| 40 | V | 92.1 | Very high | 82.8 | Confident | 2 Ų | 2 | 75 Ų | 75 | 1% | 0.012 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 128.4 | 177.8 | 179.7 | 0 | 0 | 0 | 0 | 109.9 | L54 Q56 V95 L97 V100 Y160 | V40-L54 HydrophobicContact CG1-CB 4.44Å; V40-L54 HydrophobicContact CG1-CD2 4.1Å; V40-Q56 HydrophobicContact CG2-CG 4.33Å; V40-V95 PolarHBondContact O-N 3.49Å; V40-L97 HydrophobicContact CB-CD2 4Å; V40-L97 HydrophobicContact CG2-CD2 3.46Å; V40-L97 VanDerWaalsContact CG2-CD2 3.46Å; V40-V100 HydrophobicContact CG1-CG2 4.37Å; V40-Y160 HydrophobicContact CG2-CD2 3.89Å; V40-Y160 HydrophobicContact CG2-CE2 4.27Å |
| 41 | L | 92 | Very high | 82.6 | Confident | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 139.8 | -179.6 | -57.1 | 177.5 | 0 | 0 | 0 | 110.3 | F25 L35 L54 V55 V57 V92 R93 K94 | F25-L41 HydrophobicContact CD1-CD1 4Å; F25-L41 HydrophobicContact CE1-CD1 3.36Å; F25-L41 HydrophobicContact CZ-CD1 3.82Å; L35-L41 HydrophobicContact CD1-CD1 3.89Å; L35-L41 HydrophobicContact CD1-CD2 4.08Å; L35-L41 HydrophobicContact CD2-CD2 3.62Å; L41-L54 WeakPolarHBondContact O-CA 2.96Å; L41-V55 HydrophobicContact CB-CG2 3.93Å; L41-V55 PolarHBondContact N-O 3.18Å; L41-V55 PolarHBondContact O-N 2.85Å; L41-V57 HydrophobicContact CD1-CG2 4Å; L41-V57 HydrophobicContact CG-CG2 4.23Å; L41-V92 HydrophobicContact CB-CG1 4.45Å; L41-V92 HydrophobicContact CD1-CG1 4.14Å; L41-R93 CarbonylContact C-O 3.51Å; L41-R93 WeakPolarHBondContact CA-O 3.44Å; L41-K94 HydrophobicContact CD2-CB 4.15Å |
| 42 | E | 92.1 | Very high | 83.1 | Confident | 18 Ų | 18 | 70.9 Ų | 70.9 | 8% | 0.084 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 130.1 | 169 | -173.1 | -170.8 | -150.9 | 0 | 0 | 109.4 | Y44 R52 L53 L54 V92 R93 V95 | E42-Y44 HydrophobicContact CG-CD1 4.02Å; E42-Y44 HydrophobicContact CG-CE1 4.38Å; E42-R52 HydrophobicContact CG-CB 4.33Å; E42-R52 WeakPolarHBondContact OE1-CD 3.27Å; E42-R52 IonicContact OE1-CZ 2.8Å; E42-R52 IonicContact OE1-NE 3.16Å; E42-R52 IonicContact OE1-NH1 3.68Å; E42-R52 PolarHBondContact OE1-NH1 3.27Å; E42-R52 VanDerWaalsContact OE1-NH1 3.14Å; E42-L53 CarbonylContact C-O 3.57Å; E42-L53 WeakPolarHBondContact CA-O 3.41Å; E42-L54 HydrophobicContact CB-CD2 3.89Å; E42-L54 HydrophobicContact CG-CD2 4.2Å; E42-V92 WeakPolarHBondContact O-CA 3.48Å; E42-R93 HydrophobicContact CB-CG 4.29Å; E42-R93 PolarHBondContact N-O 3.35Å; E42-R93 PolarHBondContact O-N 2.94Å; E42-R93 IonicContact OE1-NH2 2.81Å; E42-R93 IonicContact OE2-CZ 3.25Å; E42-R93 IonicContact OE2-NE 3.84Å; E42-R93 PolarHBondContact OE2-NE 3.35Å; E42-R93 IonicContact OE2-NH2 3.93Å; E42-R93 PolarHBondContact OE2-NH2 2.74Å; E42-V95 HydrophobicContact CB-CG2 3.46Å; E42-V95 VanDerWaalsContact CB-CG2 3.46Å; E42-V95 HydrophobicContact CG-CG2 4.49Å |
| 43 | I | 92 | Very high | 83.6 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 125.1 | -177.4 | -53.9 | 176.6 | 0 | 0 | 0 | 108.8 | F25 L53 V55 V74 L84 V90 I91 V92 | F25-I43 HydrophobicContact CD2-CD1 3.6Å; F25-I43 HydrophobicContact CE2-CD1 3.42Å; F25-I43 VanDerWaalsContact CE2-CD1 3.42Å; F25-I43 HydrophobicContact CZ-CD1 4.33Å; I43-L53 PolarHBondContact N-O 3Å; I43-L53 PolarHBondContact O-N 3.15Å; I43-V55 HydrophobicContact CD1-CG1 4.37Å; I43-V55 HydrophobicContact CD1-CG2 3.56Å; I43-V55 HydrophobicContact CG1-CG2 4.23Å; I43-V74 HydrophobicContact CD1-CG2 3.75Å; I43-L84 HydrophobicContact CG2-CD1 4.48Å; I43-V90 HydrophobicContact CG2-CB 3.95Å; I43-V90 HydrophobicContact CG2-CG1 4.24Å; I43-V90 HydrophobicContact CG2-CG2 3.98Å; I43-I91 WeakPolarHBondContact CA-O 3.26Å; I43-V92 HydrophobicContact CG1-CG1 4.47Å; I43-V92 HydrophobicContact CG1-CG2 4.37Å |
| 44 | Y | 90.9 | Very high | 84.3 | Confident | 32 Ų | 32 | 65.4 Ų | 65.4 | 13% | 0.125 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 158.7 | 179.2 | 61.6 | -80 | 0 | 0 | 0 | 112.5 | E42 R52 V90 I91 | E42-Y44 HydrophobicContact CG-CD1 4.02Å; E42-Y44 HydrophobicContact CG-CE1 4.38Å; Y44-R52 HydrophobicContact CG-CG 4.28Å; Y44-V90 WeakPolarHBondContact O-CA 3.46Å; Y44-I91 HydrophobicContact CD1-CB 4.47Å; Y44-I91 HydrophobicContact CE1-CB 4.04Å; Y44-I91 HydrophobicContact CE1-CG2 3.98Å; Y44-I91 HydrophobicContact CE2-CB 4.22Å; Y44-I91 HydrophobicContact CE2-CD1 3.86Å; Y44-I91 PolarHBondContact N-O 3.41Å; Y44-I91 PolarHBondContact O-N 2.93Å |
| 45 | H | 89.4 | Confident | 84.6 | Confident | 14 Ų | 14 | 58.8 Ų | 58.8 | 7% | 0.065 | 28% | 0.281 | C | S | . | . | trans | -81 | 135.1 | 167.7 | -70 | -63 | 0 | 0 | 0 | 110.2 | E47 E48 K85 D89 V90 | H45-E47 PolarHBondContact O-N 2.98Å; H45-E47 VanDerWaalsContact O-N 3.1Å; H45-E48 HydrophobicContact CB-CB 4.26Å; H45-E48 HydrophobicContact CB-CG 4.35Å; H45-E48 PolarHBondContact O-N 3.4Å; H45-K85 PolarHBondContact NE2-N 3.32Å; H45-D89 PolarHBondContact ND1-O 3.42Å; H45-V90 WeakPolarHBondContact CE1-CG1 3.49Å | ||
| 46 | K | 82.4 | Confident | 84.8 | Confident | 181 Ų | 181 | 59.1 Ų | 59.1 | 79% | 0.787 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -29.3 | -178.5 | -167 | 175.1 | -177.2 | 176 | 0 | 113.3 | I91 | K46-I91 HydrophobicContact CB-CD1 3.87Å; K46-I91 HydrophobicContact CD-CD1 4.19Å; K46-I91 HydrophobicContact CG-CD1 3.9Å |
| 47 | E | 79.4 | Confident | 84.9 | Confident | 182 Ų | 182 | 52.7 Ų | 52.7 | 85% | 0.85 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -17.5 | -178.7 | -61.7 | 177.9 | 178.8 | 0 | 0 | 113.5 | H45 | H45-E47 PolarHBondContact O-N 2.98Å; H45-E47 VanDerWaalsContact O-N 3.1Å |
| 48 | E | 74.3 | Confident | 84.7 | Confident | 43 Ų | 43 | 51.9 Ų | 51.9 | 20% | 0.201 | 25% | 0.245 | C | C | . | . | trans | -111.2 | 111 | -174.2 | -65.3 | -172.9 | -163.3 | 0 | 0 | 110.9 | H45 S51 K85 | H45-E48 HydrophobicContact CB-CB 4.26Å; H45-E48 HydrophobicContact CB-CG 4.35Å; H45-E48 PolarHBondContact O-N 3.4Å; E48-S51 WeakPolarHBondContact OE2-CB 3.41Å; E48-S51 PolarHBondContact OE2-OG 3.37Å; E48-K85 IonicContact OE1-NZ 3.68Å; E48-K85 PolarHBondContact OE1-NZ 3.39Å | ||
| 49 | Q | 62.9 | Low | 84.3 | Confident | 145 Ų | 145 | 58.1 Ų | 58.1 | 68% | 0.678 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -73.1 | -31.2 | -176 | -76.5 | -174.5 | -10.1 | 0 | 0 | 114.1 | R52 | Q49-R52 PolarHBondContact O-NE 3.2Š|
| 50 | F | 63.5 | Low | 83.3 | Confident | 194 Ų | 194 | 61 Ų | 61 | 85% | 0.851 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -102.8 | -1.5 | -168.2 | -60 | -75.6 | 0 | 0 | 0 | 114.6 | R52 | F50-R52 PolarHBondContact O-N 3.2Š|
| 51 | S | 74.2 | Confident | 82 | Confident | 14 Ų | 14 | 62.9 Ų | 62.9 | 10% | 0.098 | 28% | 0.284 | C | S | . | . | trans | -101.7 | 49.3 | -175.4 | -56.5 | 0 | 0 | 0 | 0 | 112 | E48 F82 | E48-S51 WeakPolarHBondContact OE2-CB 3.41Å; E48-S51 PolarHBondContact OE2-OG 3.37Å; S51-F82 WeakPolarHBondContact CB-O 3.43Å | ||
| 52 | R | 87.3 | Confident | 80.6 | Confident | 99 Ų | 99 | 70.4 Ų | 70.4 | 37% | 0.374 | 32% | 0.319 | S | S | . | . | trans | -97.8 | 115.6 | -175.6 | -50.4 | -161.2 | -173 | -165.9 | -1.5 | 111.4 | E42 Y44 Q49 F50 F82 C158 | E42-R52 HydrophobicContact CG-CB 4.33Å; E42-R52 WeakPolarHBondContact OE1-CD 3.27Å; E42-R52 IonicContact OE1-CZ 2.8Å; E42-R52 IonicContact OE1-NE 3.16Å; E42-R52 IonicContact OE1-NH1 3.68Å; E42-R52 PolarHBondContact OE1-NH1 3.27Å; E42-R52 VanDerWaalsContact OE1-NH1 3.14Å; Y44-R52 HydrophobicContact CG-CG 4.28Å; Q49-R52 PolarHBondContact O-NE 3.2Å; F50-R52 PolarHBondContact O-N 3.2Å; R52-F82 WeakPolarHBondContact O-CD1 3.49Å; R52-F82 VanDerWaalsContact O-CE1 3.3Å; R52-F82 WeakPolarHBondContact O-CE1 3.44Å; R52-C158 PolarHBondContact O-SG 3.48Å | ||
| 53 | L | 92.1 | Very high | 79.1 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 131.7 | -179.2 | 170.8 | 65.7 | 0 | 0 | 0 | 110.6 | E42 I43 V55 V74 F82 L84 Q132 | E42-L53 CarbonylContact C-O 3.57Å; E42-L53 WeakPolarHBondContact CA-O 3.41Å; I43-L53 PolarHBondContact N-O 3Å; I43-L53 PolarHBondContact O-N 3.15Å; L53-V55 HydrophobicContact CD1-CG1 4.26Å; L53-V55 HydrophobicContact CD2-CG1 3.8Å; L53-V55 HydrophobicContact CG-CG1 3.86Å; L53-V74 HydrophobicContact CD2-CG1 3.63Å; L53-V74 HydrophobicContact CD2-CG2 4.24Å; L53-F82 HydrophobicContact CB-CB 4.28Å; L53-F82 HydrophobicContact CB-CD1 3.88Å; L53-F82 HydrophobicContact CB-CD2 4.43Å; L53-F82 HydrophobicContact CB-CE1 4.34Å; L53-F82 HydrophobicContact CB-CG 3.93Å; L53-F82 HydrophobicContact CD1-CD1 4.3Å; L53-F82 HydrophobicContact CD1-CD2 3.63Å; L53-F82 HydrophobicContact CD1-CE1 4.23Å; L53-F82 HydrophobicContact CD1-CE2 3.56Å; L53-F82 HydrophobicContact CD1-CG 4.02Å; L53-F82 HydrophobicContact CD1-CZ 3.88Å; L53-F82 HydrophobicContact CG-CD2 4.49Å; L53-F82 HydrophobicContact CG-CG 4.47Å; L53-L84 HydrophobicContact CB-CD1 4.42Å; L53-L84 HydrophobicContact CD2-CD1 3.9Å; L53-Q132 HydrophobicContact CD1-CG 4.38Å |
| 54 | L | 92.1 | Very high | 77.6 | Confident | 10 Ų | 10 | 77.8 Ų | 77.8 | 5% | 0.052 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 127.9 | 167.1 | -64.1 | 170.3 | 0 | 0 | 0 | 110.8 | V40 L41 E42 V100 Q132 C158 | V40-L54 HydrophobicContact CG1-CB 4.44Å; V40-L54 HydrophobicContact CG1-CD2 4.1Å; L41-L54 WeakPolarHBondContact O-CA 2.96Å; E42-L54 HydrophobicContact CB-CD2 3.89Å; E42-L54 HydrophobicContact CG-CD2 4.2Å; L54-V100 HydrophobicContact CD1-CB 3.75Å; L54-V100 HydrophobicContact CD1-CG1 3.81Å; L54-V100 HydrophobicContact CD2-CB 4.5Å; L54-V100 HydrophobicContact CD2-CG1 3.89Å; L54-Q132 PolarHBondContact O-NE2 3.48Å; L54-C158 HydrophobicContact CB-CB 4.32Å; L54-C158 PolarHBondContact N-SG 3.27Å; L54-C158 VanDerWaalsContact N-SG 3.41Å |
| 55 | V | 90.5 | Very high | 75.9 | Confident | 0 Ų | 0 | 83.3 Ų | 83.3 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 149.9 | 173.1 | -63.6 | 0 | 0 | 0 | 0 | 110.7 | F25 L41 I43 L53 | F25-V55 HydrophobicContact CB-CB 3.94Å; F25-V55 HydrophobicContact CB-CG1 4.27Å; F25-V55 HydrophobicContact CB-CG2 3.83Å; F25-V55 HydrophobicContact CD1-CG2 4.19Å; F25-V55 HydrophobicContact CD2-CG2 3.92Å; F25-V55 HydrophobicContact CG-CB 4.39Å; F25-V55 HydrophobicContact CG-CG2 3.72Å; L41-V55 HydrophobicContact CB-CG2 3.93Å; L41-V55 PolarHBondContact N-O 3.18Å; L41-V55 PolarHBondContact O-N 2.85Å; I43-V55 HydrophobicContact CD1-CG1 4.37Å; I43-V55 HydrophobicContact CD1-CG2 3.56Å; I43-V55 HydrophobicContact CG1-CG2 4.23Å; L53-V55 HydrophobicContact CD1-CG1 4.26Å; L53-V55 HydrophobicContact CD2-CG1 3.8Å; L53-V55 HydrophobicContact CG-CG1 3.86Å |
| 56 | Q | 89.7 | Confident | 74.2 | Confident | 23 Ų | 23 | 83.8 Ų | 83.8 | 11% | 0.107 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 140.3 | 177.5 | -165.1 | 173.5 | 18.8 | 0 | 0 | 110.6 | G38 D39 V40 N58 R128 C130 | G38-Q56 PolarHBondContact O-NE2 2.91Å; D39-Q56 WeakPolarHBondContact O-CA 3.31Å; V40-Q56 HydrophobicContact CG2-CG 4.33Å; Q56-N58 PolarHBondContact O-N 2.83Å; Q56-N58 VanDerWaalsContact O-N 3.1Å; Q56-R128 PolarHBondContact NE2-O 3.42Å; Q56-R128 PolarHBondContact OE1-O 3.45Å; Q56-C130 HydrophobicContact CB-CB 4.31Å |
| 57 | V | 86.5 | Confident | 73 | Confident | 2 Ų | 2 | 84.9 Ų | 84.9 | 1% | 0.012 | 40% | 0.397 | C | S | . | . | trans | -73.5 | 99.3 | 174.1 | 177.5 | 0 | 0 | 0 | 0 | 108.9 | Y27 L35 E36 V37 G38 D39 L41 | Y27-V57 HydrophobicContact CE1-CG1 3.84Å; Y27-V57 HydrophobicContact CE1-CG2 4.32Å; Y27-V57 WeakPolarHBondContact OH-CG1 3.09Å; L35-V57 HydrophobicContact CD1-CG2 4.39Å; E36-V57 WeakPolarHBondContact O-CB 3.44Å; E36-V57 WeakPolarHBondContact O-CG1 3.46Å; V37-V57 CarbonylContact C-O 3.57Å; V37-V57 WeakPolarHBondContact CA-O 3.15Å; G38-V57 PolarHBondContact N-O 2.94Å; D39-V57 HydrophobicContact CB-CB 4.43Å; D39-V57 HydrophobicContact CB-CG2 4.14Å; D39-V57 PolarHBondContact O-N 3.09Å; L41-V57 HydrophobicContact CD1-CG2 4Å; L41-V57 HydrophobicContact CG-CG2 4.23Å | ||
| 58 | N | 81.2 | Confident | 71.8 | Confident | 74 Ų | 74 | 83.2 Ų | 83.2 | 40% | 0.396 | 39% | 0.389 | S | S | . | . | trans | -86.4 | -30 | -178.7 | -70.4 | -13.9 | 0 | 0 | 0 | 113.3 | L23 Q56 | L23-N58 HydrophobicContact CD2-CB 3.82Å; Q56-N58 PolarHBondContact O-N 2.83Å; Q56-N58 VanDerWaalsContact O-N 3.1Å | ||
| 59 | R | 76.1 | Confident | 71.7 | Confident | 160 Ų | 160 | 84 Ų | 84 | 60% | 0.604 | 41% | 0.41 | S | S | * | . | trans | -157.9 | 140.7 | -174.4 | -170.9 | 176.7 | 178.7 | 171.8 | 3.5 | 111.5 | L23 | L23-R59 HydrophobicContact CD2-CB 4.12Š| ||
| 60 | L | 67.6 | Low | 72.6 | Confident | 87 Ų | 87 | 80.4 Ų | 80.4 | 46% | 0.455 | 40% | 0.395 | S | S | . | . | trans | -79.7 | 117.2 | 168.3 | -68.1 | 159.7 | 0 | 0 | 0 | 109.3 | Y27 V37 | Y27-L60 HydrophobicContact CE2-CD2 4.47Å; Y27-L60 WeakPolarHBondContact OH-CD2 3.43Å; V37-L60 HydrophobicContact CG2-CD1 4.34Å; V37-L60 HydrophobicContact CG2-CG 4.23Å | ||
| 61 | I | 66.5 | Low | 73.7 | Confident | 41 Ų | 41 | 71.2 Ų | 71.2 | 21% | 0.21 | 36% | 0.355 | C | S | . | . | trans | -109.2 | 107.9 | 173.4 | -64.6 | 169.9 | 0 | 0 | 0 | 107.9 | L23 L26 D63 F64 | L23-I61 HydrophobicContact CD1-CD1 3.37Å; L23-I61 HydrophobicContact CD1-CG1 4.5Å; L26-I61 HydrophobicContact CD2-CD1 3.38Å; I61-D63 VanDerWaalsContact C-N 3.33Å; I61-F64 HydrophobicContact CG2-CB 4.2Å | ||
| 62 | E | 61.2 | Low | 74.4 | Confident | 160 Ų | 160 | 70.6 Ų | 70.6 | 75% | 0.748 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -33.7 | 178.5 | -66.2 | -175.4 | 163.6 | 0 | 0 | 112.3 | ||
| 63 | D | 61.1 | Low | 74.5 | Confident | 136 Ų | 136 | 66 Ų | 66 | 73% | 0.727 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 15.8 | -171.6 | -68.2 | -31 | 0 | 0 | 0 | 114.9 | I61 L65 | I61-D63 VanDerWaalsContact C-N 3.33Å; D63-L65 VanDerWaalsContact C-N 3.26Å; D63-L65 PolarHBondContact O-N 3.21Å |
| 64 | F | 60.7 | Low | 74.5 | Confident | 36 Ų | 36 | 66 Ų | 66 | 16% | 0.158 | 33% | 0.333 | C | S | . | . | trans | -69 | 94.9 | 166.9 | -169.4 | -105.3 | 0 | 0 | 0 | 106.6 | L26 I61 P66 | L26-F64 HydrophobicContact CB-CD2 3.92Å; L26-F64 HydrophobicContact CB-CE2 3.78Å; L26-F64 HydrophobicContact CB-CG 4.42Å; L26-F64 HydrophobicContact CB-CZ 4.17Å; L26-F64 HydrophobicContact CD1-CD2 3.96Å; L26-F64 HydrophobicContact CD1-CE2 3.63Å; L26-F64 HydrophobicContact CG-CD2 4.49Å; L26-F64 HydrophobicContact CG-CE2 4.36Å; I61-F64 HydrophobicContact CG2-CB 4.2Å; F64-P66 HydrophobicContact CD1-CG 4.11Å; F64-P66 HydrophobicContact CE1-CB 4.25Å; F64-P66 HydrophobicContact CE1-CG 4.08Å; F64-P66 WeakPolarHBondContact O-CD 3.25Å | ||
| 65 | L | 55.1 | Low | 74.4 | Confident | 149 Ų | 149 | 65.8 Ų | 65.8 | 78% | 0.78 | 33% | 0.332 | S | S | * | . | trans | -96 | 77.9 | 178 | -75.4 | 163.6 | 0 | 0 | 0 | 109.6 | D63 K67 | D63-L65 VanDerWaalsContact C-N 3.26Å; D63-L65 PolarHBondContact O-N 3.21Å; L65-K67 PolarHBondContact O-N 3Å | ||
| 66 | P | 53.4 | Low | 74.3 | Confident | 24 Ų | 24 | 69.9 Ų | 69.9 | 16% | 0.156 | 35% | 0.351 | C | S | . | . | trans | -64.2 | 133.6 | 161 | 30.1 | -30.7 | 0 | 0 | 0 | 106.9 | F64 Q68 T71 | F64-P66 HydrophobicContact CD1-CG 4.11Å; F64-P66 HydrophobicContact CE1-CB 4.25Å; F64-P66 HydrophobicContact CE1-CG 4.08Å; F64-P66 WeakPolarHBondContact O-CD 3.25Å; P66-Q68 WeakPolarHBondContact CB-O 3Å; P66-Q68 WeakPolarHBondContact CG-O 3.22Å; P66-Q68 PolarHBondContact O-N 3.36Å; P66-T71 VanDerWaalsContact CB-CB 3.48Å; P66-T71 HydrophobicContact CB-CG2 4.02Å | ||
| 67 | K | 57 | Low | 74.2 | Confident | 204 Ų | 204 | 73 Ų | 73 | 89% | 0.887 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -60.3 | -9.3 | 178.2 | -68.9 | -177.5 | 178 | 179.4 | 0 | 112.8 | L65 | L65-K67 PolarHBondContact O-N 3Š|
| 68 | Q | 55 | Low | 74.2 | Confident | 146 Ų | 146 | 73.6 Ų | 73.6 | 68% | 0.682 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -136.8 | 136 | 179.5 | -64.6 | 178.5 | -12.9 | 0 | 0 | 108.8 | P66 T71 | P66-Q68 WeakPolarHBondContact CB-O 3Å; P66-Q68 WeakPolarHBondContact CG-O 3.22Å; P66-Q68 PolarHBondContact O-N 3.36Å; Q68-T71 PolarHBondContact O-OG1 3.13Å |
| 69 | G | 72.3 | Confident | 74.5 | Confident | 61 Ų | 61 | 70.1 Ų | 70.1 | 63% | 0.629 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -63.7 | 165.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 70 | N | 81.6 | Confident | 75 | Confident | 68 Ų | 68 | 65.8 Ų | 65.8 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | S | Bend | trans | 58.5 | 45.2 | -175.8 | -63.1 | -25.3 | 0 | 0 | 0 | 114.1 | K7 C9 K10 D31 | K7-N70 WeakPolarHBondContact CE-OD1 3.33Å; K7-N70 PolarHBondContact NZ-OD1 3.46Å; C9-N70 CarbonylContact C-O 3.48Å; C9-N70 VanDerWaalsContact CA-O 3.23Å; C9-N70 WeakPolarHBondContact CA-O 3.37Å; C9-N70 WeakPolarHBondContact CB-O 3.46Å; K10-N70 PolarHBondContact N-O 3.46Å; D31-N70 PolarHBondContact OD1-N 3Å; D31-N70 VanDerWaalsContact OD1-N 3.16Å; D31-N70 WeakPolarHBondContact OD2-CA 3.31Å; D31-N70 PolarHBondContact OD2-N 3.03Å |
| 71 | T | 86.2 | Confident | 75.8 | Confident | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.012 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 133.3 | 176.7 | -49.5 | 0 | 0 | 0 | 0 | 110.1 | K10 W12 D31 P66 Q68 | K10-T71 HydrophobicContact CB-CG2 4.43Å; K10-T71 WeakPolarHBondContact O-CA 3.41Å; K10-T71 WeakPolarHBondContact O-CG2 3.3Å; W12-T71 HydrophobicContact CB-CG2 4.49Å; W12-T71 HydrophobicContact CD2-CG2 4.02Å; W12-T71 HydrophobicContact CG-CG2 3.75Å; D31-T71 PolarHBondContact OD2-N 2.86Å; P66-T71 VanDerWaalsContact CB-CB 3.48Å; P66-T71 HydrophobicContact CB-CG2 4.02Å; Q68-T71 PolarHBondContact O-OG1 3.13Å |
| 72 | V | 89.4 | Confident | 76.9 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 154.3 | 174.5 | -64.4 | 0 | 0 | 0 | 0 | 109.9 | C9 K10 L11 W12 F25 L26 F32 V90 V92 | C9-V72 HydrophobicContact CB-CG1 4.04Å; C9-V72 HydrophobicContact CB-CG2 3.92Å; K10-V72 PolarHBondContact O-N 3.37Å; L11-V72 CarbonylContact C-O 3.5Å; L11-V72 WeakPolarHBondContact CA-O 3.49Å; L11-V72 HydrophobicContact CD1-CG2 4.07Å; W12-V72 PolarHBondContact N-O 3.17Å; F25-V72 HydrophobicContact CE2-CB 3.66Å; F25-V72 HydrophobicContact CE2-CG1 4.06Å; F25-V72 HydrophobicContact CE2-CG2 4.21Å; F25-V72 HydrophobicContact CZ-CB 3.91Å; F25-V72 HydrophobicContact CZ-CG1 3.77Å; L26-V72 WeakPolarHBondContact O-CA 3.22Å; F32-V72 HydrophobicContact CE2-CG1 3.74Å; F32-V72 HydrophobicContact CZ-CG1 4.2Å; V72-V90 HydrophobicContact CG2-CG2 4.08Å; V72-V92 HydrophobicContact CG1-CG2 4.27Å; V72-V92 HydrophobicContact CG2-CG2 4.04Å |
| 73 | S | 89.4 | Confident | 78 | Confident | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 135.7 | 174.5 | -175.3 | 0 | 0 | 0 | 0 | 113.3 | W12 H14 F25 L26 | W12-S73 CarbonylContact O-C 3.51Å; W12-S73 WeakPolarHBondContact O-CA 3.33Å; W12-S73 VanDerWaalsContact O-CB 3.3Å; W12-S73 WeakPolarHBondContact O-CB 3.43Å; W12-S73 PolarHBondContact O-OG 3.33Å; H14-S73 PolarHBondContact N-OG 2.88Å; H14-S73 PolarHBondContact ND1-OG 2.96Å; F25-S73 CarbonylContact C-O 3.55Å; F25-S73 WeakPolarHBondContact CA-O 3.41Å; F25-S73 WeakPolarHBondContact CD2-O 3.34Å; L26-S73 PolarHBondContact N-O 3.4Å; L26-S73 PolarHBondContact O-N 2.87Å |
| 74 | V | 91.1 | Very high | 79.4 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 148.5 | 174.8 | 174.9 | 0 | 0 | 0 | 0 | 108.3 | L11 W12 F13 H14 D24 F25 I43 L53 E76 L78 A79 | L11-V74 HydrophobicContact CD1-CB 3.97Å; L11-V74 HydrophobicContact CD1-CG2 3.6Å; W12-V74 PolarHBondContact O-N 3.04Å; F13-V74 WeakPolarHBondContact CA-O 3.37Å; H14-V74 PolarHBondContact N-O 3.18Å; H14-V74 VanDerWaalsContact N-O 3.16Å; H14-V74 PolarHBondContact ND1-O 3.19Å; D24-V74 WeakPolarHBondContact O-CA 3.37Å; F25-V74 HydrophobicContact CD2-CG2 3.97Å; I43-V74 HydrophobicContact CD1-CG2 3.75Å; L53-V74 HydrophobicContact CD2-CG1 3.63Å; L53-V74 HydrophobicContact CD2-CG2 4.24Å; V74-E76 PolarHBondContact O-N 3.26Å; V74-L78 HydrophobicContact CG1-CB 4.01Å; V74-A79 HydrophobicContact CG1-CB 4.24Å |
| 75 | D | 90.1 | Very high | 80.7 | Confident | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.027 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.1 | 134.5 | 173.3 | 161 | 72.3 | 0 | 0 | 0 | 111.4 | H14 R16 D24 T77 L78 A79 | H14-D75 PolarHBondContact CE1-N 2.98Å; R16-D75 WeakPolarHBondContact CG-OD1 3.43Å; R16-D75 IonicContact CZ-OD1 3.26Å; R16-D75 IonicContact CZ-OD2 3.89Å; R16-D75 IonicContact NE-OD1 3.65Å; R16-D75 PolarHBondContact NE-OD1 3.13Å; R16-D75 IonicContact NE-OD2 2.71Å; R16-D75 PolarHBondContact NE-OD2 2.86Å; R16-D75 VanDerWaalsContact NH2-CG 3.31Å; R16-D75 IonicContact NH2-OD1 3.84Å; R16-D75 IonicContact NH2-OD2 3.19Å; R16-D75 PolarHBondContact NH2-OD2 3.4Å; D24-D75 PolarHBondContact O-N 3.26Å; D75-T77 VanDerWaalsContact C-N 3.26Å; D75-T77 PolarHBondContact O-N 3.44Å; D75-T77 PolarHBondContact OD2-N 3.36Å; D75-T77 PolarHBondContact OD2-OG1 3.07Å; D75-L78 HydrophobicContact CB-CB 4.33Å; D75-L78 HydrophobicContact CB-CD1 4.21Å; D75-L78 HydrophobicContact CB-CG 4.43Å; D75-L78 PolarHBondContact O-N 3.26Å; D75-L78 PolarHBondContact OD2-N 3.26Å; D75-A79 WeakPolarHBondContact O-CB 3.31Å; D75-A79 PolarHBondContact O-N 3Å |
| 76 | E | 89.9 | Confident | 82.4 | Confident | 86 Ų | 86 | 57.2 Ų | 57.2 | 40% | 0.402 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -55.9 | -38.4 | -175.5 | -173.7 | 175.8 | -167.2 | 0 | 0 | 112.7 | F13 H14 K15 V74 A80 | F13-E76 HydrophobicContact CB-CB 4.18Å; F13-E76 HydrophobicContact CB-CG 4.42Å; F13-E76 HydrophobicContact CD2-CG 4.36Å; H14-E76 PolarHBondContact O-N 3.37Å; K15-E76 WeakPolarHBondContact CE-OE2 3.48Å; K15-E76 VanDerWaalsContact CG-OE2 3.31Å; K15-E76 WeakPolarHBondContact CG-OE2 3.37Å; V74-E76 PolarHBondContact O-N 3.26Å; E76-A80 WeakPolarHBondContact O-CB 3.32Å; E76-A80 PolarHBondContact O-N 3.01Å |
| 77 | T | 86.8 | Confident | 84.1 | Confident | 90 Ų | 90 | 62.6 Ų | 62.6 | 55% | 0.552 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -72.2 | -39.4 | -179.7 | 66.6 | 0 | 0 | 0 | 0 | 112.8 | D75 T81 | D75-T77 VanDerWaalsContact C-N 3.26Å; D75-T77 PolarHBondContact O-N 3.44Å; D75-T77 PolarHBondContact OD2-N 3.36Å; D75-T77 PolarHBondContact OD2-OG1 3.07Å; T77-T81 PolarHBondContact O-N 3.45Å; T77-T81 PolarHBondContact O-OG1 3.27Å |
| 78 | L | 86.3 | Confident | 85.6 | Confident | 14 Ų | 14 | 53.7 Ų | 53.7 | 7% | 0.073 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.2 | -44.9 | 172.7 | -76.8 | 175 | 0 | 0 | 0 | 111.5 | D24 V74 D75 A80 T81 F82 Q132 | D24-L78 HydrophobicContact CB-CD1 3.65Å; V74-L78 HydrophobicContact CG1-CB 4.01Å; D75-L78 HydrophobicContact CB-CB 4.33Å; D75-L78 HydrophobicContact CB-CD1 4.21Å; D75-L78 HydrophobicContact CB-CG 4.43Å; D75-L78 PolarHBondContact O-N 3.26Å; D75-L78 PolarHBondContact OD2-N 3.26Å; L78-A80 VanDerWaalsContact C-N 3.3Å; L78-A80 PolarHBondContact O-N 3.02Å; L78-T81 PolarHBondContact O-N 3.44Å; L78-T81 VanDerWaalsContact O-N 3.13Å; L78-F82 WeakPolarHBondContact O-CD2 3.34Å; L78-F82 PolarHBondContact O-N 3.37Å; L78-Q132 HydrophobicContact CD2-CB 4.31Å; L78-Q132 HydrophobicContact CD2-CG 3.99Å |
| 79 | A | 88.4 | Confident | 87.3 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F13 V74 D75 F82 Q83 L84 | F13-A79 HydrophobicContact CD1-CB 3.64Å; F13-A79 HydrophobicContact CD2-CB 4.4Å; F13-A79 HydrophobicContact CE1-CB 3.35Å; F13-A79 HydrophobicContact CE2-CB 4.1Å; F13-A79 HydrophobicContact CG-CB 4.21Å; F13-A79 HydrophobicContact CZ-CB 3.6Å; V74-A79 HydrophobicContact CG1-CB 4.24Å; D75-A79 WeakPolarHBondContact O-CB 3.31Å; D75-A79 PolarHBondContact O-N 3Å; A79-F82 CarbonylContact O-C 3.53Å; A79-F82 PolarHBondContact O-N 3.03Å; A79-Q83 PolarHBondContact O-N 3.14Å; A79-L84 HydrophobicContact CB-CB 4.19Å; A79-L84 PolarHBondContact O-N 3.09Å |
| 80 | A | 86.6 | Confident | 88.2 | Confident | 69 Ų | 69 | 47.9 Ų | 47.9 | 57% | 0.57 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -63.6 | -41.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E76 L78 F82 Q83 | E76-A80 WeakPolarHBondContact O-CB 3.32Å; E76-A80 PolarHBondContact O-N 3.01Å; L78-A80 VanDerWaalsContact C-N 3.3Å; L78-A80 PolarHBondContact O-N 3.02Å; A80-F82 VanDerWaalsContact C-N 3.31Å; A80-F82 PolarHBondContact O-N 3.34Å; A80-Q83 PolarHBondContact O-N 3.14Å |
| 81 | T | 84.1 | Confident | 88.7 | Confident | 83 Ų | 83 | 45.6 Ų | 45.6 | 51% | 0.509 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63 | -38.1 | 179.6 | -55.3 | 0 | 0 | 0 | 0 | 112.1 | T77 L78 | T77-T81 PolarHBondContact O-N 3.45Å; T77-T81 PolarHBondContact O-OG1 3.27Å; L78-T81 PolarHBondContact O-N 3.44Å; L78-T81 VanDerWaalsContact O-N 3.13Å |
| 82 | F | 88.1 | Confident | 88.9 | Confident | 14 Ų | 14 | 45.6 Ų | 45.6 | 6% | 0.061 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 13.8 | 178.2 | -74.2 | -98.9 | 0 | 0 | 0 | 113.4 | S51 R52 L53 L78 A79 A80 L84 Q132 A157 C158 | S51-F82 WeakPolarHBondContact CB-O 3.43Å; R52-F82 WeakPolarHBondContact O-CD1 3.49Å; R52-F82 VanDerWaalsContact O-CE1 3.3Å; R52-F82 WeakPolarHBondContact O-CE1 3.44Å; L53-F82 HydrophobicContact CB-CB 4.28Å; L53-F82 HydrophobicContact CB-CD1 3.88Å; L53-F82 HydrophobicContact CB-CD2 4.43Å; L53-F82 HydrophobicContact CB-CE1 4.34Å; L53-F82 HydrophobicContact CB-CG 3.93Å; L53-F82 HydrophobicContact CD1-CD1 4.3Å; L53-F82 HydrophobicContact CD1-CD2 3.63Å; L53-F82 HydrophobicContact CD1-CE1 4.23Å; L53-F82 HydrophobicContact CD1-CE2 3.56Å; L53-F82 HydrophobicContact CD1-CG 4.02Å; L53-F82 HydrophobicContact CD1-CZ 3.88Å; L53-F82 HydrophobicContact CG-CD2 4.49Å; L53-F82 HydrophobicContact CG-CG 4.47Å; L78-F82 WeakPolarHBondContact O-CD2 3.34Å; L78-F82 PolarHBondContact O-N 3.37Å; A79-F82 CarbonylContact O-C 3.53Å; A79-F82 PolarHBondContact O-N 3.03Å; A80-F82 VanDerWaalsContact C-N 3.31Å; A80-F82 PolarHBondContact O-N 3.34Å; F82-L84 HydrophobicContact CB-CG 4.12Å; F82-L84 PolarHBondContact O-N 3.31Å; F82-L84 VanDerWaalsContact O-N 3.08Å; F82-Q132 HydrophobicContact CE2-CB 4.28Å; F82-Q132 HydrophobicContact CE2-CG 4.16Å; F82-Q132 HydrophobicContact CZ-CB 4.49Å; F82-Q132 HydrophobicContact CZ-CG 4.32Å; F82-A157 HydrophobicContact CE1-CB 3.99Å; F82-A157 HydrophobicContact CZ-CB 4.18Å; F82-C158 HydrophobicContact CE1-CB 4.3Å; F82-C158 HydrophobicContact CZ-CB 3.82Å |
| 83 | Q | 86.1 | Confident | 89 | Confident | 139 Ų | 139 | 49.1 Ų | 49.1 | 65% | 0.65 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 29.2 | 177.4 | -55.5 | -178.7 | 10.2 | 0 | 0 | 114.4 | A79 A80 | A79-Q83 PolarHBondContact O-N 3.14Å; A80-Q83 PolarHBondContact O-N 3.14Å |
| 84 | L | 89.1 | Confident | 89 | Confident | 11 Ų | 11 | 54.4 Ų | 54.4 | 6% | 0.058 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 145.9 | 177.6 | -58 | 179.6 | 0 | 0 | 0 | 110.1 | L11 F13 I43 L53 A79 F82 | L11-L84 HydrophobicContact CD2-CB 3.62Å; L11-L84 HydrophobicContact CD2-CD1 3.89Å; L11-L84 HydrophobicContact CD2-CG 4.3Å; F13-L84 WeakPolarHBondContact CZ-O 3.09Å; I43-L84 HydrophobicContact CG2-CD1 4.48Å; L53-L84 HydrophobicContact CB-CD1 4.42Å; L53-L84 HydrophobicContact CD2-CD1 3.9Å; A79-L84 HydrophobicContact CB-CB 4.19Å; A79-L84 PolarHBondContact O-N 3.09Å; F82-L84 HydrophobicContact CB-CG 4.12Å; F82-L84 PolarHBondContact O-N 3.31Å; F82-L84 VanDerWaalsContact O-N 3.08Å |
| 85 | K | 88.3 | Confident | 89 | Confident | 113 Ų | 113 | 54.8 Ų | 54.8 | 49% | 0.491 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -99.1 | 125.6 | -178.1 | -68.3 | 167.3 | 178.2 | 138.3 | 0 | 110.6 | H45 E48 Y87 G88 | H45-K85 PolarHBondContact NE2-N 3.32Å; E48-K85 IonicContact OE1-NZ 3.68Å; E48-K85 PolarHBondContact OE1-NZ 3.39Å; K85-Y87 PolarHBondContact O-N 3.2Å; K85-G88 PolarHBondContact O-N 2.96Å |
| 86 | N | 90.1 | Very high | 89.1 | Confident | 69 Ų | 69 | 58.3 Ų | 58.3 | 37% | 0.369 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 137.6 | 174.7 | -160.2 | 9.7 | 0 | 0 | 0 | 109.7 | L11 F13 G88 | L11-N86 PolarHBondContact O-OD1 3.29Å; F13-N86 HydrophobicContact CD2-CB 3.83Å; F13-N86 HydrophobicContact CE1-CB 4.19Å; F13-N86 HydrophobicContact CE2-CB 3.51Å; F13-N86 HydrophobicContact CG-CB 4.31Å; F13-N86 HydrophobicContact CZ-CB 3.69Å; F13-N86 PolarHBondContact N-OD1 2.76Å; N86-G88 PolarHBondContact O-N 2.91Å; N86-G88 VanDerWaalsContact O-N 3.12Å |
| 87 | Y | 89.2 | Confident | 89.1 | Confident | 137 Ų | 137 | 57.5 Ų | 57.5 | 54% | 0.537 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 6.4 | -172.8 | -54.8 | -82.5 | 0 | 0 | 0 | 115.7 | K10 L11 W12 K85 | K10-Y87 WeakPolarHBondContact CD-O 2.98Å; K10-Y87 PolarHBondContact NZ-O 3.36Å; K10-Y87 VanDerWaalsContact NZ-O 3.12Å; L11-Y87 VanDerWaalsContact O-CA 3.31Å; L11-Y87 WeakPolarHBondContact O-CA 3.35Å; L11-Y87 PolarHBondContact O-N 3.22Å; W12-Y87 HydrophobicContact CD2-CE1 4.39Å; W12-Y87 AromaticContact CE2-CE1 3.79Å; W12-Y87 HydrophobicContact CZ2-CE1 4.12Å; W12-Y87 AromaticContact NE1-CD1 3.74Å; W12-Y87 AromaticContact NE1-CE1 3.64Å; K85-Y87 PolarHBondContact O-N 3.2Å |
| 88 | G | 88.6 | Confident | 89.2 | Confident | 17 Ų | 17 | 61 Ų | 61 | 18% | 0.175 | 31% | 0.311 | C | S | . | . | trans | -71.9 | 154.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | L11 K85 N86 | L11-G88 PolarHBondContact N-O 3.36Å; L11-G88 VanDerWaalsContact N-O 3.08Å; K85-G88 PolarHBondContact O-N 2.96Å; N86-G88 PolarHBondContact O-N 2.91Å; N86-G88 VanDerWaalsContact O-N 3.12Å | ||
| 89 | D | 91.2 | Very high | 89.3 | Confident | 85 Ų | 85 | 66.1 Ų | 66.1 | 46% | 0.455 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 122 | 172 | -64.1 | -44.7 | 0 | 0 | 0 | 109.2 | T8 K10 H45 | T8-D89 HydrophobicContact CG2-CB 3.98Å; K10-D89 VanDerWaalsContact CD-OD1 3.26Å; K10-D89 WeakPolarHBondContact CD-OD1 3.16Å; K10-D89 WeakPolarHBondContact CE-OD1 3.47Å; K10-D89 VanDerWaalsContact NZ-CG 3.25Å; K10-D89 IonicContact NZ-OD1 3.63Å; K10-D89 PolarHBondContact NZ-OD1 2.89Å; K10-D89 IonicContact NZ-OD2 2.71Å; K10-D89 PolarHBondContact NZ-OD2 3.48Å; K10-D89 VanDerWaalsContact NZ-OD2 3.16Å; H45-D89 PolarHBondContact ND1-O 3.42Å |
| 90 | V | 91.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.006 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 147.7 | 176.7 | -67.8 | 0 | 0 | 0 | 0 | 110.5 | T8 C9 L11 I43 Y44 H45 V72 V92 | T8-V90 CarbonylContact C-O 3.58Å; T8-V90 WeakPolarHBondContact CA-O 2.94Å; C9-V90 PolarHBondContact N-O 3.05Å; C9-V90 WeakPolarHBondContact O-CG2 3.45Å; C9-V90 PolarHBondContact O-N 3.32Å; L11-V90 HydrophobicContact CB-CG1 4.01Å; L11-V90 HydrophobicContact CB-CG2 3.86Å; L11-V90 HydrophobicContact CD2-CG1 3.92Å; I43-V90 HydrophobicContact CG2-CB 3.95Å; I43-V90 HydrophobicContact CG2-CG1 4.24Å; I43-V90 HydrophobicContact CG2-CG2 3.98Å; Y44-V90 WeakPolarHBondContact O-CA 3.46Å; H45-V90 WeakPolarHBondContact CE1-CG1 3.49Å; V72-V90 HydrophobicContact CG2-CG2 4.08Å; V90-V92 HydrophobicContact CG2-CG2 4.19Å |
| 91 | I | 91.7 | Very high | 89.8 | Confident | 19 Ų | 19 | 64.1 Ų | 64.1 | 10% | 0.097 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 126.8 | 169.7 | -61.4 | 176.4 | 0 | 0 | 0 | 107.3 | I43 Y44 K46 | I43-I91 WeakPolarHBondContact CA-O 3.26Å; Y44-I91 HydrophobicContact CD1-CB 4.47Å; Y44-I91 HydrophobicContact CE1-CB 4.04Å; Y44-I91 HydrophobicContact CE1-CG2 3.98Å; Y44-I91 HydrophobicContact CE2-CB 4.22Å; Y44-I91 HydrophobicContact CE2-CD1 3.86Å; Y44-I91 PolarHBondContact N-O 3.41Å; Y44-I91 PolarHBondContact O-N 2.93Å; K46-I91 HydrophobicContact CB-CD1 3.87Å; K46-I91 HydrophobicContact CD-CD1 4.19Å; K46-I91 HydrophobicContact CG-CD1 3.9Å |
| 92 | V | 91 | Very high | 90.2 | Very high | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.012 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 118.7 | 173.8 | -175.3 | 0 | 0 | 0 | 0 | 108.1 | G6 K7 C9 F25 F32 L41 E42 I43 V72 V90 | G6-V92 CarbonylContact C-O 3.57Å; G6-V92 WeakPolarHBondContact CA-O 3.49Å; K7-V92 PolarHBondContact N-O 3.26Å; K7-V92 PolarHBondContact O-N 2.9Å; C9-V92 HydrophobicContact CB-CG2 4.2Å; F25-V92 HydrophobicContact CZ-CG1 4.47Å; F32-V92 HydrophobicContact CE1-CB 4.32Å; F32-V92 HydrophobicContact CE1-CG1 4.06Å; F32-V92 HydrophobicContact CZ-CB 4.02Å; F32-V92 HydrophobicContact CZ-CG1 3.92Å; L41-V92 HydrophobicContact CB-CG1 4.45Å; L41-V92 HydrophobicContact CD1-CG1 4.14Å; E42-V92 WeakPolarHBondContact O-CA 3.48Å; I43-V92 HydrophobicContact CG1-CG1 4.47Å; I43-V92 HydrophobicContact CG1-CG2 4.37Å; V72-V92 HydrophobicContact CG1-CG2 4.27Å; V72-V92 HydrophobicContact CG2-CG2 4.04Å; V90-V92 HydrophobicContact CG2-CG2 4.19Å |
| 93 | R | 91 | Very high | 90.3 | Very high | 75 Ų | 75 | 61.5 Ų | 61.5 | 28% | 0.283 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 146.5 | 174.3 | 78.8 | 177 | 174.9 | 178.3 | 2.6 | 112.1 | L41 E42 V95 | L41-R93 CarbonylContact C-O 3.51Å; L41-R93 WeakPolarHBondContact CA-O 3.44Å; E42-R93 HydrophobicContact CB-CG 4.29Å; E42-R93 PolarHBondContact N-O 3.35Å; E42-R93 PolarHBondContact O-N 2.94Å; E42-R93 IonicContact OE1-NH2 2.81Å; E42-R93 IonicContact OE2-CZ 3.25Å; E42-R93 IonicContact OE2-NE 3.84Å; E42-R93 PolarHBondContact OE2-NE 3.35Å; E42-R93 IonicContact OE2-NH2 3.93Å; E42-R93 PolarHBondContact OE2-NH2 2.74Å; R93-V95 HydrophobicContact CG-CG2 3.84Å |
| 94 | K | 90.4 | Very high | 90.5 | Very high | 113 Ų | 113 | 55.5 Ų | 55.5 | 49% | 0.491 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 132.8 | 166.9 | -176.8 | 170.7 | 177.5 | 162 | 0 | 109.1 | L35 D39 L41 | L35-K94 HydrophobicContact CD2-CD 4.26Å; D39-K94 VanDerWaalsContact CG-CE 3.41Å; D39-K94 WeakPolarHBondContact OD1-CE 3.38Å; D39-K94 IonicContact OD1-NZ 3Å; D39-K94 PolarHBondContact OD1-NZ 2.99Å; D39-K94 WeakPolarHBondContact OD2-CE 3.29Å; D39-K94 IonicContact OD2-NZ 2.73Å; D39-K94 PolarHBondContact OD2-NZ 3.37Å; L41-K94 HydrophobicContact CD2-CB 4.15Å |
| 95 | V | 90.9 | Very high | 90.8 | Very high | 9 Ų | 9 | 55 Ų | 55 | 6% | 0.055 | 27% | 0.271 | C | S | . | . | trans | -118.5 | 134.2 | -178.5 | -176.4 | 0 | 0 | 0 | 0 | 110.2 | V40 E42 R93 L99 V100 | V40-V95 PolarHBondContact O-N 3.49Å; E42-V95 HydrophobicContact CB-CG2 3.46Å; E42-V95 VanDerWaalsContact CB-CG2 3.46Å; E42-V95 HydrophobicContact CG-CG2 4.49Å; R93-V95 HydrophobicContact CG-CG2 3.84Å; V95-L99 HydrophobicContact CG1-CB 4.27Å; V95-V100 HydrophobicContact CB-CG1 4.44Å; V95-V100 HydrophobicContact CG1-CG1 3.63Å | ||
| 96 | P | 91.4 | Very high | 91.1 | Very high | 79 Ų | 79 | 49.8 Ų | 49.8 | 51% | 0.513 | 25% | 0.249 | S | C | . | . | trans | -57.3 | 136.2 | 170.7 | -23.3 | 32.5 | 0 | 0 | 0 | 111.8 | E98 L99 | P96-E98 VanDerWaalsContact C-N 3.3Å; P96-E98 PolarHBondContact O-N 3Å; P96-L99 HydrophobicContact CB-CD1 4.41Å; P96-L99 HydrophobicContact CB-CG 4.44Å; P96-L99 HydrophobicContact CG-CD1 4.19Å; P96-L99 PolarHBondContact O-N 3.3Å | ||
| 97 | L | 90.6 | Very high | 91.4 | Very high | 68 Ų | 68 | 46.5 Ų | 46.5 | 36% | 0.356 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -59.4 | -39.4 | -175.6 | -62 | 178.4 | 0 | 0 | 0 | 112.5 | V40 L99 V100 S101 Y160 | V40-L97 HydrophobicContact CB-CD2 4Å; V40-L97 HydrophobicContact CG2-CD2 3.46Å; V40-L97 VanDerWaalsContact CG2-CD2 3.46Å; L97-L99 PolarHBondContact O-N 3.05Å; L97-L99 VanDerWaalsContact O-N 3.09Å; L97-V100 CarbonylContact O-C 3.54Å; L97-V100 WeakPolarHBondContact O-CG2 3.48Å; L97-V100 PolarHBondContact O-N 3.49Å; L97-S101 PolarHBondContact O-N 3.32Å; L97-S101 PolarHBondContact O-OG 3.37Å; L97-S101 VanDerWaalsContact O-OG 3.13Å; L97-Y160 HydrophobicContact CB-CD1 4.34Å; L97-Y160 HydrophobicContact CB-CE1 4.34Å; L97-Y160 HydrophobicContact CD1-CE1 3.93Å; L97-Y160 HydrophobicContact CD2-CD1 4.08Å; L97-Y160 HydrophobicContact CD2-CD2 4.13Å; L97-Y160 HydrophobicContact CD2-CE1 4.04Å; L97-Y160 HydrophobicContact CD2-CE2 4.1Å; L97-Y160 HydrophobicContact CD2-CG 4.1Å; L97-Y160 HydrophobicContact CG-CE1 4.33Å |
| 98 | E | 87.8 | Confident | 91.7 | Very high | 164 Ų | 164 | 40.2 Ų | 40.2 | 77% | 0.766 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -54.7 | -31.8 | -179.6 | -64.6 | 161.8 | -159.6 | 0 | 0 | 113.7 | P96 V100 | P96-E98 VanDerWaalsContact C-N 3.3Å; P96-E98 PolarHBondContact O-N 3Å; E98-V100 VanDerWaalsContact C-N 3.34Å |
| 99 | L | 88.1 | Confident | 92 | Very high | 122 Ų | 122 | 39.6 Ų | 39.6 | 64% | 0.639 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -78.9 | -18.4 | -179.9 | -63 | 179.7 | 0 | 0 | 0 | 113.2 | V95 P96 L97 | V95-L99 HydrophobicContact CG1-CB 4.27Å; P96-L99 HydrophobicContact CB-CD1 4.41Å; P96-L99 HydrophobicContact CB-CG 4.44Å; P96-L99 HydrophobicContact CG-CD1 4.19Å; P96-L99 PolarHBondContact O-N 3.3Å; L97-L99 PolarHBondContact O-N 3.05Å; L97-L99 VanDerWaalsContact O-N 3.09Å |
| 100 | V | 91.3 | Very high | 92.2 | Very high | 21 Ų | 21 | 39.1 Ų | 39.1 | 13% | 0.127 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.2 | -6.5 | -172.7 | -63.7 | 0 | 0 | 0 | 0 | 113.8 | V40 L54 V95 L97 E98 L102 Y160 | V40-V100 HydrophobicContact CG1-CG2 4.37Å; L54-V100 HydrophobicContact CD1-CB 3.75Å; L54-V100 HydrophobicContact CD1-CG1 3.81Å; L54-V100 HydrophobicContact CD2-CB 4.5Å; L54-V100 HydrophobicContact CD2-CG1 3.89Å; V95-V100 HydrophobicContact CB-CG1 4.44Å; V95-V100 HydrophobicContact CG1-CG1 3.63Å; L97-V100 CarbonylContact O-C 3.54Å; L97-V100 WeakPolarHBondContact O-CG2 3.48Å; L97-V100 PolarHBondContact O-N 3.49Å; E98-V100 VanDerWaalsContact C-N 3.34Å; V100-L102 PolarHBondContact O-N 3.46Å; V100-Y160 PolarHBondContact O-N 3.44Å |
| 101 | S | 94.1 | Very high | 92.1 | Very high | 5 Ų | 5 | 43.1 Ų | 43.1 | 4% | 0.035 | 21% | 0.213 | C | C | . | . | B | Isolated β-bridge | trans | -60 | 127.9 | 171.9 | -79.9 | 0 | 0 | 0 | 0 | 110.5 | L97 K151 Y160 D162 | L97-S101 PolarHBondContact O-N 3.32Å; L97-S101 PolarHBondContact O-OG 3.37Å; L97-S101 VanDerWaalsContact O-OG 3.13Å; S101-K151 WeakPolarHBondContact O-CD 3.42Å; S101-K151 WeakPolarHBondContact O-CE 3.01Å; S101-K151 PolarHBondContact O-NZ 2.95Å; S101-Y160 CarbonylContact C-O 3.26Å; S101-Y160 WeakPolarHBondContact CA-O 3.36Å; S101-D162 WeakPolarHBondContact CB-OD2 3.49Å; S101-D162 PolarHBondContact OG-OD2 2.85Å |
| 102 | L | 93.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | trans | -74.6 | 144.1 | 179.5 | -66.2 | 175.1 | 0 | 0 | 0 | 111.4 | V100 L105 V131 M149 V156 Y160 V161 T165 | V100-L102 PolarHBondContact O-N 3.46Å; L102-L105 HydrophobicContact CD1-CB 4.39Å; L102-V131 HydrophobicContact CD1-CG2 3.68Å; L102-M149 HydrophobicContact CD1-CB 4.17Å; L102-M149 HydrophobicContact CD1-CG 3.91Å; L102-M149 HydrophobicContact CD1-SD 3.86Å; L102-M149 HydrophobicContact CD2-CB 3.94Å; L102-V156 HydrophobicContact CD2-CG2 3.44Å; L102-V156 VanDerWaalsContact CD2-CG2 3.44Å; L102-Y160 PolarHBondContact N-O 2.81Å; L102-V161 HydrophobicContact CD1-CG2 4.42Å; L102-T165 HydrophobicContact CB-CG2 3.72Å; L102-T165 WeakPolarHBondContact O-CA 3.31Å; L102-T165 WeakPolarHBondContact O-CB 3.43Å; L102-T165 PolarHBondContact O-OG1 3.02Å | ||
| 103 | D | 89.7 | Confident | 92.1 | Very high | 41 Ų | 41 | 44.5 Ų | 44.5 | 22% | 0.219 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -87.3 | -31.8 | 171.1 | -52.9 | -29.9 | 0 | 0 | 0 | 110.6 | Y150 K151 G152 R166 | D103-Y150 PolarHBondContact N-O 3.02Å; D103-K151 WeakPolarHBondContact OD1-CD 3.43Å; D103-K151 IonicContact OD1-NZ 3.35Å; D103-K151 PolarHBondContact OD1-NZ 2.97Å; D103-K151 WeakPolarHBondContact OD2-CA 2.79Å; D103-K151 WeakPolarHBondContact OD2-CD 3.13Å; D103-G152 PolarHBondContact OD2-N 2.96Å; D103-R166 PolarHBondContact O-N 3.35Å; D103-R166 PolarHBondContact O-NE 3.22Å |
| 104 | L | 91.6 | Very high | 92.1 | Very high | 13 Ų | 13 | 41.1 Ų | 41.1 | 7% | 0.068 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 135 | 179.4 | -167.3 | 74.2 | 0 | 0 | 0 | 110.9 | M149 Y150 R166 V168 | L104-M149 WeakPolarHBondContact O-CA 3.43Å; L104-Y150 HydrophobicContact CB-CD2 4.32Å; L104-Y150 HydrophobicContact CD2-CD2 3.86Å; L104-Y150 HydrophobicContact CD2-CE2 4.31Å; L104-Y150 PolarHBondContact N-O 3.11Å; L104-Y150 PolarHBondContact O-N 2.62Å; L104-R166 CarbonylContact C-O 3.53Å; L104-R166 WeakPolarHBondContact CA-O 3.45Å; L104-R166 HydrophobicContact CD1-CB 3.86Å; L104-V168 HydrophobicContact CD1-CG2 3.59Å; L104-V168 HydrophobicContact CG-CG2 4.47Å |
| 105 | L | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 118.5 | 170.7 | 171.2 | 62.4 | 0 | 0 | 0 | 109.4 | L102 L107 L126 V131 V146 M149 V161 T165 R166 V167 V168 | L102-L105 HydrophobicContact CD1-CB 4.39Å; L105-L107 HydrophobicContact CD1-CD2 4.07Å; L105-L107 HydrophobicContact CD2-CD2 4.29Å; L105-L107 HydrophobicContact CD2-CG 4.49Å; L105-L107 HydrophobicContact CG-CD2 4.1Å; L105-L107 HydrophobicContact CG-CG 4.23Å; L105-L126 HydrophobicContact CD2-CD1 4.14Å; L105-V131 HydrophobicContact CD1-CG2 4.17Å; L105-V131 HydrophobicContact CD2-CG2 4.35Å; L105-V146 HydrophobicContact CD1-CG1 3.83Å; L105-V146 HydrophobicContact CD1-CG2 4.41Å; L105-M149 HydrophobicContact CD1-CG 3.58Å; L105-M149 HydrophobicContact CD1-SD 4.14Å; L105-V161 HydrophobicContact CD2-CG2 3.85Å; L105-T165 HydrophobicContact CB-CG2 4.06Å; L105-R166 PolarHBondContact N-O 3.48Å; L105-V167 HydrophobicContact CB-CG2 4.44Å; L105-V167 HydrophobicContact CD2-CG1 4.42Å; L105-V167 HydrophobicContact CD2-CG2 4.37Å; L105-V167 HydrophobicContact CG-CG1 4.47Å; L105-V167 CarbonylContact O-C 3.58Å; L105-V167 WeakPolarHBondContact O-CA 3.45Å; L105-V168 PolarHBondContact O-N 3.17Å |
| 106 | E | 95.1 | Very high | 92.2 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 2% | 0.023 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 122.6 | 176.9 | -170.2 | 177 | 106.9 | 0 | 0 | 111 | Q147 E148 V168 R170 K687 | E106-Q147 HydrophobicContact CG-CB 4.44Å; E106-Q147 PolarHBondContact O-N 2.97Å; E106-E148 HydrophobicContact CB-CB 4.01Å; E106-E148 PolarHBondContact N-O 2.98Å; E106-V168 WeakPolarHBondContact CA-O 3.3Å; E106-R170 VanDerWaalsContact CD-CD 3.48Å; E106-R170 HydrophobicContact CG-CG 4.2Å; E106-R170 WeakPolarHBondContact OE1-CD 3.33Å; E106-R170 IonicContact OE1-NE 3.88Å; E106-R170 PolarHBondContact OE1-NE 2.89Å; E106-R170 IonicContact OE2-CZ 3.29Å; E106-R170 IonicContact OE2-NE 2.77Å; E106-R170 PolarHBondContact OE2-NE 2.95Å; E106-R170 IonicContact OE2-NH2 2.92Å; E106-R170 PolarHBondContact OE2-NH2 3.1Å; E106-K687 WeakPolarHBondContact OE1-CE 3.37Å; E106-K687 IonicContact OE1-NZ 2.75Å; E106-K687 PolarHBondContact OE1-NZ 3.26Å; E106-K687 IonicContact OE2-NZ 3.03Å; E106-K687 PolarHBondContact OE2-NZ 2.78Å |
| 107 | L | 96.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 143.4 | 177 | -58.6 | 177.4 | 0 | 0 | 0 | 109.9 | L105 L126 I137 V144 V146 V167 V168 F169 R170 | L105-L107 HydrophobicContact CD1-CD2 4.07Å; L105-L107 HydrophobicContact CD2-CD2 4.29Å; L105-L107 HydrophobicContact CD2-CG 4.49Å; L105-L107 HydrophobicContact CG-CD2 4.1Å; L105-L107 HydrophobicContact CG-CG 4.23Å; L107-L126 HydrophobicContact CD1-CD1 3.57Å; L107-I137 HydrophobicContact CD2-CD1 4.43Å; L107-V144 HydrophobicContact CD1-CG2 4.38Å; L107-V146 HydrophobicContact CD2-CB 4.34Å; L107-V146 HydrophobicContact CD2-CG2 3.74Å; L107-V167 HydrophobicContact CD1-CG1 3.74Å; L107-V167 HydrophobicContact CG-CG1 4.19Å; L107-V168 PolarHBondContact N-O 2.96Å; L107-F169 HydrophobicContact CB-CD1 4.05Å; L107-F169 HydrophobicContact CB-CE1 4.26Å; L107-F169 HydrophobicContact CD1-CD1 4.32Å; L107-F169 HydrophobicContact CD1-CE1 3.68Å; L107-F169 HydrophobicContact CD1-CZ 4.16Å; L107-F169 CarbonylContact O-C 3.55Å; L107-F169 WeakPolarHBondContact O-CA 3.37Å; L107-R170 PolarHBondContact O-N 3.29Å |
| 108 | S | 95.4 | Very high | 92.4 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 3% | 0.028 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 153.1 | 173.9 | 62.6 | 0 | 0 | 0 | 0 | 111.9 | V144 I145 Q147 R170 | S108-V144 CarbonylContact O-C 3.58Å; S108-V144 VanDerWaalsContact O-CA 3.29Å; S108-V144 WeakPolarHBondContact O-CA 3.42Å; S108-I145 PolarHBondContact N-O 3.13Å; S108-I145 PolarHBondContact O-N 3.47Å; S108-I145 PolarHBondContact OG-O 3.39Å; S108-Q147 VanDerWaalsContact CB-CG 3.47Å; S108-Q147 WeakPolarHBondContact OG-CG 3.41Å; S108-Q147 PolarHBondContact OG-NE2 3.15Å; S108-R170 VanDerWaalsContact CA-O 3.28Å; S108-R170 WeakPolarHBondContact CA-O 3.37Å |
| 109 | F | 94.9 | Very high | 92.7 | Very high | 5 Ų | 5 | 22.7 Ų | 22.7 | 2% | 0.022 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 159.9 | 170.8 | 51.9 | -106.9 | 0 | 0 | 0 | 110.8 | Q112 V114 V144 F169 R170 N172 T335 | F109-Q112 HydrophobicContact CB-CG 4.18Å; F109-Q112 HydrophobicContact CD2-CG 4.26Å; F109-Q112 HydrophobicContact CG-CG 4.45Å; F109-V114 HydrophobicContact CD1-CB 4.32Å; F109-V114 HydrophobicContact CD1-CG2 3.84Å; F109-V114 HydrophobicContact CD2-CG2 4.06Å; F109-V114 HydrophobicContact CE1-CB 3.93Å; F109-V114 HydrophobicContact CE1-CG1 4.34Å; F109-V114 HydrophobicContact CE1-CG2 3.95Å; F109-V114 HydrophobicContact CE2-CB 4.49Å; F109-V114 HydrophobicContact CE2-CG2 4.24Å; F109-V114 HydrophobicContact CG-CG2 3.89Å; F109-V114 HydrophobicContact CZ-CB 4.04Å; F109-V114 HydrophobicContact CZ-CG2 4.16Å; F109-V144 HydrophobicContact CB-CG1 4.24Å; F109-V144 HydrophobicContact CD1-CG1 4.28Å; F109-F169 HydrophobicContact CE1-CB 4.06Å; F109-F169 HydrophobicContact CE1-CD1 4.29Å; F109-R170 PolarHBondContact N-O 3.27Å; F109-R170 VanDerWaalsContact N-O 3.15Å; F109-N172 PolarHBondContact O-N 3.2Å; F109-T335 VanDerWaalsContact CE2-CB 3.45Å; F109-T335 HydrophobicContact CE2-CG2 4.04Å; F109-T335 WeakPolarHBondContact CE2-OG1 3.27Å; F109-T335 HydrophobicContact CZ-CG2 3.86Å |
| 110 | K | 93.7 | Very high | 93.1 | Very high | 74 Ų | 74 | 17.9 Ų | 17.9 | 32% | 0.322 | 9% | 0.09 | S | C | . | . | trans | -136.2 | 147.5 | -176.3 | -179 | 172.1 | 166.6 | 170.7 | 0 | 110.5 | Q112 N172 S216 | K110-Q112 WeakPolarHBondContact O-CG 3.45Å; K110-Q112 PolarHBondContact O-N 3.19Å; K110-Q112 VanDerWaalsContact O-N 3.14Å; K110-Q112 PolarHBondContact O-NE2 3.47Å; K110-N172 HydrophobicContact CB-CB 3.92Å; K110-N172 HydrophobicContact CD-CB 4.32Å; K110-N172 HydrophobicContact CG-CB 4.06Å; K110-S216 WeakPolarHBondContact CD-O 3.38Å; K110-S216 WeakPolarHBondContact CE-O 3.44Å; K110-S216 PolarHBondContact NZ-O 2.8Å | ||
| 111 | E | 91.3 | Very high | 93.1 | Very high | 86 Ų | 86 | 18.6 Ų | 18.6 | 40% | 0.402 | 9% | 0.09 | S | C | . | . | S | Bend | trans | 52.7 | 35 | 170.5 | -73.2 | 167.9 | -158.3 | 0 | 0 | 114.9 | S173 E333 | E111-S173 PolarHBondContact N-OG 2.94Å; E111-E333 CarbonylContact C-O 3.59Å; E111-E333 VanDerWaalsContact C-O 3.26Å; E111-E333 WeakPolarHBondContact CA-O 3.44Å |
| 112 | Q | 91.1 | Very high | 93.1 | Very high | 11 Ų | 11 | 18.4 Ų | 18.4 | 5% | 0.051 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -151.3 | 149.8 | 180 | 67.1 | -160.2 | -69.2 | 0 | 0 | 110.2 | F109 K110 V114 R143 F332 E333 R334 T335 | F109-Q112 HydrophobicContact CB-CG 4.18Å; F109-Q112 HydrophobicContact CD2-CG 4.26Å; F109-Q112 HydrophobicContact CG-CG 4.45Å; K110-Q112 WeakPolarHBondContact O-CG 3.45Å; K110-Q112 PolarHBondContact O-N 3.19Å; K110-Q112 VanDerWaalsContact O-N 3.14Å; K110-Q112 PolarHBondContact O-NE2 3.47Å; Q112-V114 HydrophobicContact CG-CG2 3.96Å; Q112-R143 PolarHBondContact NE2-O 3.28Å; Q112-F332 CarbonylContact C-O 3.51Å; Q112-F332 WeakPolarHBondContact CA-O 3.42Å; Q112-E333 PolarHBondContact N-O 3.43Å; Q112-R334 CarbonylContact O-C 3.56Å; Q112-T335 PolarHBondContact O-OG1 3.41Å |
| 113 | Y | 90.5 | Very high | 93.1 | Very high | 39 Ų | 39 | 19.2 Ų | 19.2 | 15% | 0.153 | 9% | 0.091 | C | C | . | . | trans | -89.2 | 127.1 | 168.8 | -176.7 | -79.8 | 0 | 0 | 0 | 110.3 | R330 F332 R334 T335 S1115 | Y113-R330 VanDerWaalsContact CE2-CZ 3.41Å; Y113-R330 VanDerWaalsContact CZ-NE 3.31Å; Y113-R330 VanDerWaalsContact OH-CZ 3.26Å; Y113-R330 PolarHBondContact OH-NH2 2.68Å; Y113-F332 PolarHBondContact N-O 2.94Å; Y113-F332 VanDerWaalsContact N-O 3.1Å; Y113-R334 WeakPolarHBondContact CB-O 3.5Å; Y113-R334 WeakPolarHBondContact CD2-O 3.39Å; Y113-T335 VanDerWaalsContact CA-OG1 3.23Å; Y113-T335 WeakPolarHBondContact CA-OG1 3.47Å; Y113-T335 HydrophobicContact CE2-CG2 4.48Å; Y113-S1115 WeakPolarHBondContact CD1-OG 3.43Å | ||
| 114 | V | 92.2 | Very high | 93.2 | Very high | 3 Ų | 3 | 22.1 Ų | 22.1 | 2% | 0.018 | 10% | 0.102 | C | C | . | . | trans | -124.5 | 119.3 | 174.4 | -172.9 | 0 | 0 | 0 | 0 | 108.8 | F109 Q112 D118 L122 I142 T335 | F109-V114 HydrophobicContact CD1-CB 4.32Å; F109-V114 HydrophobicContact CD1-CG2 3.84Å; F109-V114 HydrophobicContact CD2-CG2 4.06Å; F109-V114 HydrophobicContact CE1-CB 3.93Å; F109-V114 HydrophobicContact CE1-CG1 4.34Å; F109-V114 HydrophobicContact CE1-CG2 3.95Å; F109-V114 HydrophobicContact CE2-CB 4.49Å; F109-V114 HydrophobicContact CE2-CG2 4.24Å; F109-V114 HydrophobicContact CG-CG2 3.89Å; F109-V114 HydrophobicContact CZ-CB 4.04Å; F109-V114 HydrophobicContact CZ-CG2 4.16Å; Q112-V114 HydrophobicContact CG-CG2 3.96Å; V114-D118 HydrophobicContact CG1-CB 3.75Å; V114-L122 HydrophobicContact CG1-CD1 4.36Å; V114-I142 HydrophobicContact CG1-CG2 4.36Å; V114-I142 HydrophobicContact CG2-CG2 3.71Å; V114-T335 PolarHBondContact N-OG1 3.29Å; V114-T335 WeakPolarHBondContact O-CG2 3.45Å | ||
| 115 | S | 91.2 | Very high | 93.2 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.014 | 11% | 0.109 | C | C | . | . | trans | -80.7 | 162.8 | 177.4 | 64.7 | 0 | 0 | 0 | 0 | 112.1 | S117 D118 C119 | S115-S117 PolarHBondContact O-N 2.89Å; S115-S117 PolarHBondContact OG-OG 2.85Å; S115-D118 PolarHBondContact N-OD2 2.85Å; S115-D118 VanDerWaalsContact N-OD2 3.14Å; S115-D118 WeakPolarHBondContact O-CA 3.24Å; S115-D118 WeakPolarHBondContact O-CB 3.3Å; S115-D118 PolarHBondContact O-N 3.35Å; S115-D118 PolarHBondContact OG-N 2.93Å; S115-D118 PolarHBondContact OG-OD2 3.01Å; S115-C119 PolarHBondContact O-N 3.19Å; S115-C119 PolarHBondContact O-SG 3.06Å; S115-C119 VanDerWaalsContact O-SG 3.41Å | ||
| 116 | S | 92.1 | Very high | 93.2 | Very high | 39 Ų | 39 | 23.8 Ų | 23.8 | 27% | 0.273 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -57.5 | -31.3 | 172.7 | -53.4 | 0 | 0 | 0 | 0 | 113.3 | C119 Y120 L748 | S116-C119 WeakPolarHBondContact O-CB 3.49Å; S116-C119 PolarHBondContact O-N 2.77Å; S116-Y120 PolarHBondContact O-N 3.41Å; S116-L748 VanDerWaalsContact CB-O 3.29Å; S116-L748 WeakPolarHBondContact CB-O 3.13Å |
| 117 | S | 92.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -71.2 | -38.1 | 173.2 | 59.1 | 0 | 0 | 0 | 0 | 112.5 | S115 C119 Y120 R121 C745 Q749 | S115-S117 PolarHBondContact O-N 2.89Å; S115-S117 PolarHBondContact OG-OG 2.85Å; S117-C119 VanDerWaalsContact C-N 3.32Å; S117-Y120 PolarHBondContact O-N 3.49Å; S117-R121 WeakPolarHBondContact O-CG 3.49Å; S117-R121 PolarHBondContact O-N 2.95Å; S117-C745 VanDerWaalsContact CB-CB 3.48Å; S117-Q749 WeakPolarHBondContact OG-CG 3.42Å; S117-Q749 PolarHBondContact OG-NE2 3.48Å |
| 118 | D | 93.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.2 | -39.5 | 173 | -63 | -47.7 | 0 | 0 | 0 | 110.8 | V114 S115 Y120 R121 L122 I142 T1114 | V114-D118 HydrophobicContact CG1-CB 3.75Å; S115-D118 PolarHBondContact N-OD2 2.85Å; S115-D118 VanDerWaalsContact N-OD2 3.14Å; S115-D118 WeakPolarHBondContact O-CA 3.24Å; S115-D118 WeakPolarHBondContact O-CB 3.3Å; S115-D118 PolarHBondContact O-N 3.35Å; S115-D118 PolarHBondContact OG-N 2.93Å; S115-D118 PolarHBondContact OG-OD2 3.01Å; D118-Y120 PolarHBondContact O-N 2.92Å; D118-R121 PolarHBondContact O-N 3.47Å; D118-L122 WeakPolarHBondContact O-CB 3.49Å; D118-L122 WeakPolarHBondContact O-CG 3.42Å; D118-L122 PolarHBondContact O-N 3.04Å; D118-I142 HydrophobicContact CB-CD1 3.62Å; D118-T1114 WeakPolarHBondContact OD1-CB 3.47Å; D118-T1114 WeakPolarHBondContact OD1-CG2 3.07Å; D118-T1114 PolarHBondContact OD1-OG1 3.35Å |
| 119 | C | 94.8 | Very high | 92.7 | Very high | 5 Ų | 5 | 36.9 Ų | 36.9 | 3% | 0.034 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.2 | -43.9 | 172.1 | -69 | 0 | 0 | 0 | 0 | 112.1 | S115 S116 S117 L122 R123 F169 I697 | S115-C119 PolarHBondContact O-N 3.19Å; S115-C119 PolarHBondContact O-SG 3.06Å; S115-C119 VanDerWaalsContact O-SG 3.41Å; S116-C119 WeakPolarHBondContact O-CB 3.49Å; S116-C119 PolarHBondContact O-N 2.77Å; S117-C119 VanDerWaalsContact C-N 3.32Å; C119-L122 WeakPolarHBondContact O-CB 3.39Å; C119-L122 PolarHBondContact O-N 3.4Å; C119-R123 PolarHBondContact O-N 3.06Å; C119-F169 HydrophobicContact CB-CD1 4.46Å; C119-F169 HydrophobicContact CB-CD2 3.84Å; C119-F169 HydrophobicContact CB-CE1 4.18Å; C119-F169 HydrophobicContact CB-CE2 3.55Å; C119-F169 HydrophobicContact CB-CG 4.3Å; C119-F169 HydrophobicContact CB-CZ 3.73Å; C119-F169 WeakPolarHBondContact O-CZ 3.27Å; C119-I697 HydrophobicContact CB-CG2 3.93Å |
| 120 | Y | 94.8 | Very high | 92.5 | Very high | 22 Ų | 22 | 37 Ų | 37 | 9% | 0.086 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.7 | -40.7 | 175.3 | 172.5 | -108.2 | 0 | 0 | 0 | 112.7 | S116 S117 D118 R123 K124 I697 I744 L748 I754 | S116-Y120 PolarHBondContact O-N 3.41Å; S117-Y120 PolarHBondContact O-N 3.49Å; D118-Y120 PolarHBondContact O-N 2.92Å; Y120-R123 PolarHBondContact O-N 3.29Å; Y120-K124 HydrophobicContact CD1-CD 4.5Å; Y120-K124 HydrophobicContact CE1-CD 3.83Å; Y120-K124 HydrophobicContact CE1-CG 4.48Å; Y120-K124 HydrophobicContact CE2-CG 4.48Å; Y120-K124 VanDerWaalsContact CZ-CE 3.43Å; Y120-K124 PolarHBondContact O-N 3.18Å; Y120-K124 WeakPolarHBondContact OH-CE 3.34Å; Y120-K124 PolarHBondContact OH-NZ 3.31Å; Y120-I697 HydrophobicContact CD2-CD1 4.48Å; Y120-I744 HydrophobicContact CE1-CG2 4.28Å; Y120-L748 VanDerWaalsContact CB-CD1 3.46Å; Y120-L748 HydrophobicContact CD1-CD1 4.2Å; Y120-L748 HydrophobicContact CD2-CD1 4.17Å; Y120-L748 HydrophobicContact CG-CD1 3.7Å; Y120-I754 HydrophobicContact CD2-CD1 3.58Å; Y120-I754 HydrophobicContact CE2-CD1 3.44Å; Y120-I754 VanDerWaalsContact CE2-CD1 3.44Å |
| 121 | R | 92.4 | Very high | 92.5 | Very high | 36 Ų | 36 | 33.6 Ų | 33.6 | 14% | 0.136 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.1 | -40.9 | 175.1 | -70.4 | 172.3 | 176.8 | -77.7 | -6.6 | 111.7 | S117 D118 K124 M125 Y139 E742 R1086 | S117-R121 WeakPolarHBondContact O-CG 3.49Å; S117-R121 PolarHBondContact O-N 2.95Å; D118-R121 PolarHBondContact O-N 3.47Å; R121-K124 PolarHBondContact O-N 3.39Å; R121-M125 WeakPolarHBondContact O-CB 3.26Å; R121-M125 PolarHBondContact O-N 3.33Å; R121-Y139 HydrophobicContact CB-CE1 3.95Å; R121-E742 IonicContact CZ-OE2 3.37Å; R121-E742 IonicContact NH2-OE2 2.84Å; R121-E742 PolarHBondContact NH2-OE2 3.26Å; R121-R1086 VanDerWaalsContact NH2-NH1 3.16Å |
| 122 | L | 93.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.4 | -45.2 | 171.9 | -78.5 | 166.5 | 0 | 0 | 0 | 111.8 | V114 D118 C119 K124 M125 L126 Y139 I142 V144 F169 | V114-L122 HydrophobicContact CG1-CD1 4.36Å; D118-L122 WeakPolarHBondContact O-CB 3.49Å; D118-L122 WeakPolarHBondContact O-CG 3.42Å; D118-L122 PolarHBondContact O-N 3.04Å; C119-L122 WeakPolarHBondContact O-CB 3.39Å; C119-L122 PolarHBondContact O-N 3.4Å; L122-K124 PolarHBondContact O-N 3.31Å; L122-M125 HydrophobicContact CD2-CE 4.26Å; L122-M125 PolarHBondContact O-N 2.98Å; L122-L126 WeakPolarHBondContact O-CG 3.24Å; L122-L126 PolarHBondContact O-N 3.27Å; L122-Y139 HydrophobicContact CD2-CD1 4.11Å; L122-Y139 HydrophobicContact CD2-CG 4.3Å; L122-Y139 HydrophobicContact CG-CD1 4.43Å; L122-I142 HydrophobicContact CD1-CD1 4.41Å; L122-I142 HydrophobicContact CD1-CG2 3.98Å; L122-V144 HydrophobicContact CD1-CG1 3.95Å; L122-F169 HydrophobicContact CB-CE1 4.25Å; L122-F169 HydrophobicContact CB-CZ 4.29Å; L122-F169 HydrophobicContact CD1-CE1 4.05Å |
| 123 | R | 94.2 | Very high | 92.4 | Very high | 18 Ų | 18 | 30.7 Ų | 30.7 | 7% | 0.068 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.2 | -51.9 | 173.1 | 176.1 | -179.4 | 174.2 | -81.6 | -4.1 | 110.2 | C119 Y120 M125 L126 L127 E163 V167 I697 | C119-R123 PolarHBondContact O-N 3.06Å; Y120-R123 PolarHBondContact O-N 3.29Å; R123-M125 VanDerWaalsContact C-N 3.26Å; R123-M125 PolarHBondContact O-N 3.06Å; R123-L126 PolarHBondContact O-N 3.19Å; R123-L127 WeakPolarHBondContact O-CG 3.47Å; R123-L127 PolarHBondContact O-N 3.09Å; R123-E163 IonicContact CZ-OE2 3.11Å; R123-E163 IonicContact NH1-OE2 2.75Å; R123-E163 PolarHBondContact NH2-O 3.49Å; R123-E163 IonicContact NH2-OE2 3.75Å; R123-E163 PolarHBondContact NH2-OE2 3.15Å; R123-V167 HydrophobicContact CB-CG2 4.44Å; R123-V167 HydrophobicContact CG-CG2 4.02Å; R123-I697 HydrophobicContact CB-CD1 4.18Å |
| 124 | K | 92.2 | Very high | 92.4 | Very high | 102 Ų | 102 | 33.7 Ų | 33.7 | 44% | 0.443 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -55.2 | -41.1 | 178.4 | -86.8 | -171.4 | 158.7 | 174.3 | 0 | 112.9 | Y120 R121 L122 L126 | Y120-K124 HydrophobicContact CD1-CD 4.5Å; Y120-K124 HydrophobicContact CE1-CD 3.83Å; Y120-K124 HydrophobicContact CE1-CG 4.48Å; Y120-K124 HydrophobicContact CE2-CG 4.48Å; Y120-K124 VanDerWaalsContact CZ-CE 3.43Å; Y120-K124 PolarHBondContact O-N 3.18Å; Y120-K124 WeakPolarHBondContact OH-CE 3.34Å; Y120-K124 PolarHBondContact OH-NZ 3.31Å; R121-K124 PolarHBondContact O-N 3.39Å; L122-K124 PolarHBondContact O-N 3.31Å; K124-L126 VanDerWaalsContact C-N 3.29Å; K124-L126 PolarHBondContact O-N 3.12Å |
| 125 | M | 91 | Very high | 92.3 | Very high | 43 Ų | 43 | 36.3 Ų | 36.3 | 21% | 0.212 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.2 | -30.6 | 177.9 | -177.2 | -76.2 | -63.7 | 0 | 0 | 112.5 | R121 L122 R123 K129 I137 Y139 | R121-M125 WeakPolarHBondContact O-CB 3.26Å; R121-M125 PolarHBondContact O-N 3.33Å; L122-M125 HydrophobicContact CD2-CE 4.26Å; L122-M125 PolarHBondContact O-N 2.98Å; R123-M125 VanDerWaalsContact C-N 3.26Å; R123-M125 PolarHBondContact O-N 3.06Å; M125-K129 WeakPolarHBondContact O-CD 3.42Å; M125-K129 VanDerWaalsContact O-CE 3.24Å; M125-K129 WeakPolarHBondContact O-CE 3.11Å; M125-K129 PolarHBondContact O-NZ 3.11Å; M125-K129 PolarHBondContact SD-NZ 2.89Å; M125-K129 VanDerWaalsContact SD-NZ 3.43Å; M125-I137 HydrophobicContact CE-CG2 3.4Å; M125-Y139 HydrophobicContact CG-CD2 4.02Å; M125-Y139 HydrophobicContact CG-CE2 4.41Å |
| 126 | L | 93.9 | Very high | 92.3 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -85.5 | -19.8 | -179.9 | -69.6 | 170.4 | 0 | 0 | 0 | 114.2 | L105 L107 L122 R123 K124 R128 K129 V131 I137 V161 | L105-L126 HydrophobicContact CD2-CD1 4.14Å; L107-L126 HydrophobicContact CD1-CD1 3.57Å; L122-L126 WeakPolarHBondContact O-CG 3.24Å; L122-L126 PolarHBondContact O-N 3.27Å; R123-L126 PolarHBondContact O-N 3.19Å; K124-L126 VanDerWaalsContact C-N 3.29Å; K124-L126 PolarHBondContact O-N 3.12Å; L126-R128 PolarHBondContact O-N 3.23Å; L126-K129 WeakPolarHBondContact O-CB 3.46Å; L126-K129 PolarHBondContact O-N 2.81Å; L126-V131 HydrophobicContact CD2-CG1 4.05Å; L126-I137 HydrophobicContact CD2-CD1 3.83Å; L126-V161 HydrophobicContact CB-CG1 4.48Å; L126-V161 WeakPolarHBondContact O-CB 3.32Å |
| 127 | L | 92.9 | Very high | 92.4 | Very high | 25 Ų | 25 | 43.5 Ų | 43.5 | 13% | 0.131 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 139.7 | 176.4 | -72.9 | 171.7 | 0 | 0 | 0 | 111.2 | R123 K129 V161 D162 | R123-L127 WeakPolarHBondContact O-CG 3.47Å; R123-L127 PolarHBondContact O-N 3.09Å; L127-K129 VanDerWaalsContact C-N 3.26Å; L127-K129 PolarHBondContact O-N 2.81Å; L127-V161 HydrophobicContact CD2-CG1 4.44Å; L127-D162 WeakPolarHBondContact CD2-O 3.43Å |
| 128 | R | 91.8 | Very high | 92.3 | Very high | 170 Ų | 170 | 49.4 Ų | 49.4 | 64% | 0.642 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 27.7 | 179.8 | -51.1 | -179.9 | -177.5 | 179.3 | -1 | 114.6 | Q56 L126 Y160 V161 | Q56-R128 PolarHBondContact NE2-O 3.42Å; Q56-R128 PolarHBondContact OE1-O 3.45Å; L126-R128 PolarHBondContact O-N 3.23Å; R128-Y160 VanDerWaalsContact C-CE2 3.45Å; R128-Y160 VanDerWaalsContact CA-OH 3.29Å; R128-Y160 WeakPolarHBondContact CA-OH 3.24Å; R128-Y160 WeakPolarHBondContact CB-OH 3.4Å; R128-V161 WeakPolarHBondContact CA-O 3.47Å; R128-V161 PolarHBondContact N-O 3.09Å |
| 129 | K | 91.7 | Very high | 92.1 | Very high | 90 Ų | 90 | 51.5 Ų | 51.5 | 39% | 0.391 | 23% | 0.229 | S | C | . | . | trans | -122.6 | 149.4 | 177.2 | -64.9 | 180 | -179.5 | 165.1 | 0 | 112.4 | M125 L126 L127 V161 | M125-K129 WeakPolarHBondContact O-CD 3.42Å; M125-K129 VanDerWaalsContact O-CE 3.24Å; M125-K129 WeakPolarHBondContact O-CE 3.11Å; M125-K129 PolarHBondContact O-NZ 3.11Å; M125-K129 PolarHBondContact SD-NZ 2.89Å; M125-K129 VanDerWaalsContact SD-NZ 3.43Å; L126-K129 WeakPolarHBondContact O-CB 3.46Å; L126-K129 PolarHBondContact O-N 2.81Å; L127-K129 VanDerWaalsContact C-N 3.26Å; L127-K129 PolarHBondContact O-N 2.81Å; K129-V161 PolarHBondContact O-N 2.86Å | ||
| 130 | C | 92.3 | Very high | 91.8 | Very high | 8 Ų | 8 | 51.7 Ų | 51.7 | 5% | 0.054 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 134.7 | 164.9 | -70 | 0 | 0 | 0 | 0 | 111.3 | Q56 K135 G159 | Q56-C130 HydrophobicContact CB-CB 4.31Å; C130-K135 PolarHBondContact O-NZ 3.25Å; C130-G159 WeakPolarHBondContact CA-O 3.31Å |
| 131 | V | 92.7 | Very high | 91.5 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 150.7 | 177.3 | -68.4 | 0 | 0 | 0 | 0 | 110.3 | L102 L105 L126 M149 C158 G159 V161 | L102-V131 HydrophobicContact CD1-CG2 3.68Å; L105-V131 HydrophobicContact CD1-CG2 4.17Å; L105-V131 HydrophobicContact CD2-CG2 4.35Å; L126-V131 HydrophobicContact CD2-CG1 4.05Å; V131-M149 HydrophobicContact CB-SD 4.45Å; V131-M149 HydrophobicContact CG2-SD 3.72Å; V131-C158 VanDerWaalsContact O-CA 3.25Å; V131-C158 WeakPolarHBondContact O-CA 3.5Å; V131-C158 WeakPolarHBondContact O-CB 3.35Å; V131-G159 PolarHBondContact N-O 2.9Å; V131-G159 PolarHBondContact O-N 3.33Å; V131-V161 HydrophobicContact CB-CG2 4.49Å; V131-V161 HydrophobicContact CG1-CG2 4Å; V131-V161 HydrophobicContact CG2-CG2 3.65Å |
| 132 | Q | 90.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.009 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 154.4 | -176.8 | -60.4 | 88.1 | 5.8 | 0 | 0 | 110.1 | L53 L54 L78 F82 K135 V146 C158 | L53-Q132 HydrophobicContact CD1-CG 4.38Å; L54-Q132 PolarHBondContact O-NE2 3.48Å; L78-Q132 HydrophobicContact CD2-CB 4.31Å; L78-Q132 HydrophobicContact CD2-CG 3.99Å; F82-Q132 HydrophobicContact CE2-CB 4.28Å; F82-Q132 HydrophobicContact CE2-CG 4.16Å; F82-Q132 HydrophobicContact CZ-CB 4.49Å; F82-Q132 HydrophobicContact CZ-CG 4.32Å; Q132-K135 WeakPolarHBondContact O-CB 3.33Å; Q132-K135 PolarHBondContact O-N 2.93Å; Q132-V146 WeakPolarHBondContact O-CB 3.19Å; Q132-C158 HydrophobicContact CB-CB 4.47Å; Q132-C158 HydrophobicContact CG-CB 3.96Å |
| 133 | M | 90.6 | Very high | 91.5 | Very high | 33 Ų | 33 | 56 Ų | 56 | 16% | 0.163 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 140.6 | -179.8 | -164.9 | 61.8 | 77.9 | 0 | 0 | 110.8 | K135 V146 M149 Q155 V156 A157 | M133-K135 PolarHBondContact O-N 3.41Å; M133-V146 HydrophobicContact SD-CG1 4.46Å; M133-M149 HydrophobicContact CB-CE 4Å; M133-M149 HydrophobicContact CE-CE 3.9Å; M133-M149 VanDerWaalsContact N-CE 3.27Å; M133-M149 HydrophobicContact SD-CE 4.21Å; M133-Q155 HydrophobicContact CE-CG 4.49Å; M133-V156 VanDerWaalsContact CE-O 3.31Å; M133-V156 WeakPolarHBondContact CE-O 3.28Å; M133-A157 PolarHBondContact N-O 3.02Å |
| 134 | N | 89.7 | Confident | 91.6 | Very high | 103 Ų | 103 | 55.1 Ų | 55.1 | 55% | 0.551 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 9.8 | -178.2 | -58.4 | -49.1 | 0 | 0 | 0 | 115.5 | K136 V146 | N134-K136 PolarHBondContact O-N 3.05Å; N134-V146 WeakPolarHBondContact CA-O 3.34Å; N134-V146 PolarHBondContact N-O 2.92Å |
| 135 | K | 89.9 | Confident | 91.7 | Very high | 58 Ų | 58 | 53.1 Ų | 53.1 | 25% | 0.252 | 24% | 0.239 | S | C | . | . | trans | -61.3 | 126.1 | 174.5 | -171.5 | 178.4 | -161.1 | 153.6 | 0 | 109.4 | D24 C130 Q132 M133 I137 I145 V146 | D24-K135 IonicContact OD2-NZ 3.81Å; C130-K135 PolarHBondContact O-NZ 3.25Å; Q132-K135 WeakPolarHBondContact O-CB 3.33Å; Q132-K135 PolarHBondContact O-N 2.93Å; M133-K135 PolarHBondContact O-N 3.41Å; K135-I137 HydrophobicContact CD-CG1 4.45Å; K135-I137 HydrophobicContact CG-CG1 4.28Å; K135-I145 WeakPolarHBondContact O-CA 3.29Å; K135-V146 HydrophobicContact CB-CG2 4.1Å; K135-V146 PolarHBondContact O-N 3.36Å; K135-V146 VanDerWaalsContact O-N 3.15Å | ||
| 136 | K | 92.2 | Very high | 91.9 | Very high | 173 Ų | 173 | 51 Ų | 51 | 75% | 0.752 | 23% | 0.228 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 127 | 171.8 | -61.8 | -176.8 | 179.6 | 175.6 | 0 | 108.7 | N134 I145 | N134-K136 PolarHBondContact O-N 3.05Å; K136-I145 HydrophobicContact CG-CD1 4.4Å; K136-I145 HydrophobicContact CG-CG1 4.21Å |
| 137 | I | 93 | Very high | 91.9 | Very high | 18 Ų | 18 | 53.3 Ų | 53.3 | 9% | 0.092 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 130.2 | -178.1 | -65.8 | 152.7 | 0 | 0 | 0 | 107.5 | L107 M125 L126 K135 R143 V144 V146 | L107-I137 HydrophobicContact CD2-CD1 4.43Å; M125-I137 HydrophobicContact CE-CG2 3.4Å; L126-I137 HydrophobicContact CD2-CD1 3.83Å; K135-I137 HydrophobicContact CD-CG1 4.45Å; K135-I137 HydrophobicContact CG-CG1 4.28Å; I137-R143 WeakPolarHBondContact O-CA 3.18Å; I137-V144 HydrophobicContact CB-CG2 3.65Å; I137-V144 HydrophobicContact CD1-CG2 4.24Å; I137-V144 HydrophobicContact CG2-CG2 3.95Å; I137-V144 PolarHBondContact N-O 3.31Å; I137-V144 PolarHBondContact O-N 3.1Å; I137-V146 HydrophobicContact CD1-CG2 3.85Å |
| 138 | E | 91.4 | Very high | 91.8 | Very high | 124 Ų | 124 | 53.9 Ų | 53.9 | 58% | 0.579 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 131.8 | 173.3 | -173 | 178 | 167.4 | 0 | 0 | 110.3 | I142 R143 R1083 | E138-I142 CarbonylContact C-O 3.56Å; E138-I142 VanDerWaalsContact CA-O 3.27Å; E138-I142 WeakPolarHBondContact CA-O 3.19Å; E138-R143 HydrophobicContact CG-CG 4.12Å; E138-R1083 IonicContact OE1-NH2 3.27Å; E138-R1083 PolarHBondContact OE1-NH2 3.46Å |
| 139 | Y | 90 | Very high | 91.9 | Very high | 44 Ų | 44 | 45.8 Ų | 45.8 | 17% | 0.173 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 124 | 175.2 | 174.5 | -102.8 | 0 | 0 | 0 | 109.8 | R121 L122 M125 G141 I142 | R121-Y139 HydrophobicContact CB-CE1 3.95Å; L122-Y139 HydrophobicContact CD2-CD1 4.11Å; L122-Y139 HydrophobicContact CD2-CG 4.3Å; L122-Y139 HydrophobicContact CG-CD1 4.43Å; M125-Y139 HydrophobicContact CG-CD2 4.02Å; M125-Y139 HydrophobicContact CG-CE2 4.41Å; Y139-G141 PolarHBondContact O-N 2.68Å; Y139-G141 VanDerWaalsContact O-N 3.08Å; Y139-I142 PolarHBondContact N-O 3.38Å; Y139-I142 WeakPolarHBondContact O-CA 3.36Å; Y139-I142 VanDerWaalsContact O-CB 3.27Å; Y139-I142 WeakPolarHBondContact O-CB 3.44Å; Y139-I142 PolarHBondContact O-N 3.42Å |
| 140 | C | 87.9 | Confident | 91.7 | Very high | 10 Ų | 10 | 43.7 Ų | 43.7 | 7% | 0.068 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 36.1 | -178.4 | -59.1 | 0 | 0 | 0 | 0 | 113.7 | I142 T1114 S1116 L1117 | C140-I142 PolarHBondContact O-N 3.04Å; C140-T1114 HydrophobicContact CB-CG2 4.23Å; C140-S1116 PolarHBondContact O-OG 3.14Å; C140-L1117 HydrophobicContact CB-CD1 4.42Å; C140-L1117 WeakPolarHBondContact O-CD2 3.19Å |
| 141 | G | 87.1 | Confident | 91.5 | Very high | 6 Ų | 6 | 46.5 Ų | 46.5 | 6% | 0.062 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | -1.8 | -176 | 0 | 0 | 0 | 0 | 0 | 116.7 | Y139 | Y139-G141 PolarHBondContact O-N 2.68Å; Y139-G141 VanDerWaalsContact O-N 3.08Å |
| 142 | I | 92.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 129.2 | 168.5 | -51 | 166.9 | 0 | 0 | 0 | 107.9 | V114 D118 L122 E138 Y139 C140 V144 T1114 S1116 | V114-I142 HydrophobicContact CG1-CG2 4.36Å; V114-I142 HydrophobicContact CG2-CG2 3.71Å; D118-I142 HydrophobicContact CB-CD1 3.62Å; L122-I142 HydrophobicContact CD1-CD1 4.41Å; L122-I142 HydrophobicContact CD1-CG2 3.98Å; E138-I142 CarbonylContact C-O 3.56Å; E138-I142 VanDerWaalsContact CA-O 3.27Å; E138-I142 WeakPolarHBondContact CA-O 3.19Å; Y139-I142 PolarHBondContact N-O 3.38Å; Y139-I142 WeakPolarHBondContact O-CA 3.36Å; Y139-I142 VanDerWaalsContact O-CB 3.27Å; Y139-I142 WeakPolarHBondContact O-CB 3.44Å; Y139-I142 PolarHBondContact O-N 3.42Å; C140-I142 PolarHBondContact O-N 3.04Å; I142-V144 HydrophobicContact CG2-CG1 3.96Å; I142-T1114 HydrophobicContact CD1-CG2 4.14Å; I142-T1114 HydrophobicContact CG1-CG2 4.42Å; I142-S1116 WeakPolarHBondContact CG1-OG 3.07Å |
| 143 | R | 93.9 | Very high | 90.1 | Very high | 141 Ų | 141 | 50.1 Ų | 50.1 | 53% | 0.532 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 113.5 | -178.2 | -64.4 | 168.8 | -65.8 | 168 | 5.5 | 108.8 | Q112 I137 E138 | Q112-R143 PolarHBondContact NE2-O 3.28Å; I137-R143 WeakPolarHBondContact O-CA 3.18Å; E138-R143 HydrophobicContact CG-CG 4.12Å |
| 144 | V | 95.7 | Very high | 89.7 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 156.1 | -179.8 | -52.1 | 0 | 0 | 0 | 0 | 111.3 | L107 S108 F109 L122 I137 I142 | L107-V144 HydrophobicContact CD1-CG2 4.38Å; S108-V144 CarbonylContact O-C 3.58Å; S108-V144 VanDerWaalsContact O-CA 3.29Å; S108-V144 WeakPolarHBondContact O-CA 3.42Å; F109-V144 HydrophobicContact CB-CG1 4.24Å; F109-V144 HydrophobicContact CD1-CG1 4.28Å; L122-V144 HydrophobicContact CD1-CG1 3.95Å; I137-V144 HydrophobicContact CB-CG2 3.65Å; I137-V144 HydrophobicContact CD1-CG2 4.24Å; I137-V144 HydrophobicContact CG2-CG2 3.95Å; I137-V144 PolarHBondContact N-O 3.31Å; I137-V144 PolarHBondContact O-N 3.1Å; I142-V144 HydrophobicContact CG2-CG1 3.96Å |
| 145 | I | 95.5 | Very high | 89.5 | Confident | 59 Ų | 59 | 56 Ų | 56 | 30% | 0.303 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 132.4 | 178.2 | -53.6 | -177.2 | 0 | 0 | 0 | 108.7 | S108 K135 K136 Q147 | S108-I145 PolarHBondContact N-O 3.13Å; S108-I145 PolarHBondContact O-N 3.47Å; S108-I145 PolarHBondContact OG-O 3.39Å; K135-I145 WeakPolarHBondContact O-CA 3.29Å; K136-I145 HydrophobicContact CG-CD1 4.4Å; K136-I145 HydrophobicContact CG-CG1 4.21Å; I145-Q147 PolarHBondContact O-N 2.86Å |
| 146 | V | 95.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 119 | 171.8 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | L105 L107 Q132 M133 N134 K135 I137 M149 | L105-V146 HydrophobicContact CD1-CG1 3.83Å; L105-V146 HydrophobicContact CD1-CG2 4.41Å; L107-V146 HydrophobicContact CD2-CB 4.34Å; L107-V146 HydrophobicContact CD2-CG2 3.74Å; Q132-V146 WeakPolarHBondContact O-CB 3.19Å; M133-V146 HydrophobicContact SD-CG1 4.46Å; N134-V146 WeakPolarHBondContact CA-O 3.34Å; N134-V146 PolarHBondContact N-O 2.92Å; K135-V146 HydrophobicContact CB-CG2 4.1Å; K135-V146 PolarHBondContact O-N 3.36Å; K135-V146 VanDerWaalsContact O-N 3.15Å; I137-V146 HydrophobicContact CD1-CG2 3.85Å; V146-M149 HydrophobicContact CG1-CE 3.93Å; V146-M149 HydrophobicContact CG1-CG 3.88Å; V146-M149 HydrophobicContact CG1-SD 3.83Å |
| 147 | Q | 92.9 | Very high | 89.4 | Confident | 52 Ų | 52 | 49.3 Ų | 49.3 | 24% | 0.243 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -46.7 | -178.3 | -72.4 | -66.9 | -28.1 | 0 | 0 | 113 | E106 S108 I145 | E106-Q147 HydrophobicContact CG-CB 4.44Å; E106-Q147 PolarHBondContact O-N 2.97Å; S108-Q147 VanDerWaalsContact CB-CG 3.47Å; S108-Q147 WeakPolarHBondContact OG-CG 3.41Å; S108-Q147 PolarHBondContact OG-NE2 3.15Å; I145-Q147 PolarHBondContact O-N 2.86Å |
| 148 | E | 91.5 | Very high | 89.4 | Confident | 38 Ų | 38 | 49.1 Ų | 49.1 | 18% | 0.178 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 151 | -177.3 | -62.1 | -178.6 | -166.1 | 0 | 0 | 109.8 | E106 Y150 K687 | E106-E148 HydrophobicContact CB-CB 4.01Å; E106-E148 PolarHBondContact N-O 2.98Å; E148-Y150 HydrophobicContact CB-CD2 4.47Å; E148-Y150 HydrophobicContact CB-CE2 3.71Å; E148-Y150 VanDerWaalsContact OE2-CE2 3.26Å; E148-Y150 WeakPolarHBondContact OE2-CE2 3.39Å; E148-Y150 PolarHBondContact OE2-OH 3.13Å; E148-K687 WeakPolarHBondContact OE1-CE 3.42Å; E148-K687 IonicContact OE1-NZ 3.74Å; E148-K687 PolarHBondContact OE1-NZ 3.3Å; E148-K687 IonicContact OE2-NZ 2.75Å; E148-K687 PolarHBondContact OE2-NZ 3.45Å |
| 149 | M | 92.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 138.7 | 177 | -69.2 | 175.2 | -70.2 | 0 | 0 | 107.8 | L102 L104 L105 V131 M133 V146 Q155 V156 A157 | L102-M149 HydrophobicContact CD1-CB 4.17Å; L102-M149 HydrophobicContact CD1-CG 3.91Å; L102-M149 HydrophobicContact CD1-SD 3.86Å; L102-M149 HydrophobicContact CD2-CB 3.94Å; L104-M149 WeakPolarHBondContact O-CA 3.43Å; L105-M149 HydrophobicContact CD1-CG 3.58Å; L105-M149 HydrophobicContact CD1-SD 4.14Å; V131-M149 HydrophobicContact CB-SD 4.45Å; V131-M149 HydrophobicContact CG2-SD 3.72Å; M133-M149 HydrophobicContact CB-CE 4Å; M133-M149 HydrophobicContact CE-CE 3.9Å; M133-M149 VanDerWaalsContact N-CE 3.27Å; M133-M149 HydrophobicContact SD-CE 4.21Å; V146-M149 HydrophobicContact CG1-CE 3.93Å; V146-M149 HydrophobicContact CG1-CG 3.88Å; V146-M149 HydrophobicContact CG1-SD 3.83Å; M149-Q155 CarbonylContact O-C 3.43Å; M149-Q155 VanDerWaalsContact O-CA 3.32Å; M149-Q155 WeakPolarHBondContact O-CA 3.44Å; M149-V156 HydrophobicContact CB-CG2 3.79Å; M149-V156 PolarHBondContact O-N 3.44Å; M149-A157 VanDerWaalsContact CE-C 3.41Å; M149-A157 WeakPolarHBondContact CE-O 3.33Å |
| 150 | Y | 89.1 | Confident | 89.8 | Confident | 46 Ų | 46 | 42.1 Ų | 42.1 | 18% | 0.18 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 143.7 | -178 | -64.5 | -98.6 | 0 | 0 | 0 | 112.2 | D103 L104 E148 E154 Q155 | D103-Y150 PolarHBondContact N-O 3.02Å; L104-Y150 HydrophobicContact CB-CD2 4.32Å; L104-Y150 HydrophobicContact CD2-CD2 3.86Å; L104-Y150 HydrophobicContact CD2-CE2 4.31Å; L104-Y150 PolarHBondContact N-O 3.11Å; L104-Y150 PolarHBondContact O-N 2.62Å; E148-Y150 HydrophobicContact CB-CD2 4.47Å; E148-Y150 HydrophobicContact CB-CE2 3.71Å; E148-Y150 VanDerWaalsContact OE2-CE2 3.26Å; E148-Y150 WeakPolarHBondContact OE2-CE2 3.39Å; E148-Y150 PolarHBondContact OE2-OH 3.13Å; Y150-E154 CarbonylContact C-O 3.57Å; Y150-E154 VanDerWaalsContact CA-O 3.23Å; Y150-E154 WeakPolarHBondContact CA-O 3.44Å; Y150-Q155 HydrophobicContact CD1-CB 4.26Å; Y150-Q155 HydrophobicContact CE1-CB 3.97Å; Y150-Q155 HydrophobicContact CE1-CG 4.46Å |
| 151 | K | 86.7 | Confident | 90.1 | Very high | 66 Ų | 66 | 41.6 Ų | 41.6 | 29% | 0.287 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 126 | 169.9 | -178.7 | 50.3 | 165.2 | -166 | 0 | 109.7 | S101 D103 G153 E154 V156 | S101-K151 WeakPolarHBondContact O-CD 3.42Å; S101-K151 WeakPolarHBondContact O-CE 3.01Å; S101-K151 PolarHBondContact O-NZ 2.95Å; D103-K151 WeakPolarHBondContact OD1-CD 3.43Å; D103-K151 IonicContact OD1-NZ 3.35Å; D103-K151 PolarHBondContact OD1-NZ 2.97Å; D103-K151 WeakPolarHBondContact OD2-CA 2.79Å; D103-K151 WeakPolarHBondContact OD2-CD 3.13Å; K151-G153 VanDerWaalsContact C-N 3.26Å; K151-G153 PolarHBondContact O-N 3.43Å; K151-E154 PolarHBondContact N-O 3.37Å; K151-E154 PolarHBondContact O-N 3.12Å; K151-V156 HydrophobicContact CB-CG1 4.06Å |
| 152 | G | 79.5 | Confident | 90.4 | Very high | 57 Ų | 57 | 43 Ų | 43 | 59% | 0.588 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 34.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D103 E154 | D103-G152 PolarHBondContact OD2-N 2.96Å; G152-E154 PolarHBondContact O-N 3.25Å |
| 153 | G | 75.4 | Confident | 90.2 | Very high | 24 Ų | 24 | 47.7 Ų | 47.7 | 25% | 0.247 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | -8.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115 | K151 | K151-G153 VanDerWaalsContact C-N 3.26Å; K151-G153 PolarHBondContact O-N 3.43Å |
| 154 | E | 81.3 | Confident | 89.9 | Confident | 146 Ų | 146 | 44.7 Ų | 44.7 | 68% | 0.682 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 145.8 | 178.8 | -63.6 | -164.8 | 156.6 | 0 | 0 | 112.4 | Y150 K151 G152 | Y150-E154 CarbonylContact C-O 3.57Å; Y150-E154 VanDerWaalsContact CA-O 3.23Å; Y150-E154 WeakPolarHBondContact CA-O 3.44Å; K151-E154 PolarHBondContact N-O 3.37Å; K151-E154 PolarHBondContact O-N 3.12Å; G152-E154 PolarHBondContact O-N 3.25Å |
| 155 | Q | 86.3 | Confident | 89.8 | Confident | 114 Ų | 114 | 44.7 Ų | 44.7 | 53% | 0.533 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 129.8 | 175.4 | -170 | -179.1 | 1.6 | 0 | 0 | 110.3 | M133 M149 Y150 | M133-Q155 HydrophobicContact CE-CG 4.49Å; M149-Q155 CarbonylContact O-C 3.43Å; M149-Q155 VanDerWaalsContact O-CA 3.32Å; M149-Q155 WeakPolarHBondContact O-CA 3.44Å; Y150-Q155 HydrophobicContact CD1-CB 4.26Å; Y150-Q155 HydrophobicContact CE1-CB 3.97Å; Y150-Q155 HydrophobicContact CE1-CG 4.46Å |
| 156 | V | 89.7 | Confident | 89.5 | Confident | 39 Ų | 39 | 44.9 Ų | 44.9 | 24% | 0.236 | 25% | 0.248 | C | C | . | . | trans | -117 | 152.6 | -179.1 | -62.8 | 0 | 0 | 0 | 0 | 111.9 | L102 M133 M149 K151 | L102-V156 HydrophobicContact CD2-CG2 3.44Å; L102-V156 VanDerWaalsContact CD2-CG2 3.44Å; M133-V156 VanDerWaalsContact CE-O 3.31Å; M133-V156 WeakPolarHBondContact CE-O 3.28Å; M149-V156 HydrophobicContact CB-CG2 3.79Å; M149-V156 PolarHBondContact O-N 3.44Å; K151-V156 HydrophobicContact CB-CG1 4.06Å | ||
| 157 | A | 90.3 | Very high | 89.4 | Confident | 51 Ų | 51 | 45.2 Ų | 45.2 | 42% | 0.421 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -87.3 | -17.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | F82 M133 M149 | F82-A157 HydrophobicContact CE1-CB 3.99Å; F82-A157 HydrophobicContact CZ-CB 4.18Å; M133-A157 PolarHBondContact N-O 3.02Å; M149-A157 VanDerWaalsContact CE-C 3.41Å; M149-A157 WeakPolarHBondContact CE-O 3.33Å |
| 158 | C | 92.5 | Very high | 89.4 | Confident | 13 Ų | 13 | 43.1 Ų | 43.1 | 9% | 0.088 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 159.1 | 172.8 | 53.8 | 0 | 0 | 0 | 0 | 110.6 | R52 L54 F82 V131 Q132 | R52-C158 PolarHBondContact O-SG 3.48Å; L54-C158 HydrophobicContact CB-CB 4.32Å; L54-C158 PolarHBondContact N-SG 3.27Å; L54-C158 VanDerWaalsContact N-SG 3.41Å; F82-C158 HydrophobicContact CE1-CB 4.3Å; F82-C158 HydrophobicContact CZ-CB 3.82Å; V131-C158 VanDerWaalsContact O-CA 3.25Å; V131-C158 WeakPolarHBondContact O-CA 3.5Å; V131-C158 WeakPolarHBondContact O-CB 3.35Å; Q132-C158 HydrophobicContact CB-CB 4.47Å; Q132-C158 HydrophobicContact CG-CB 3.96Å |
| 159 | G | 93.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.5 | 175.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | C130 V131 | C130-G159 WeakPolarHBondContact CA-O 3.31Å; V131-G159 PolarHBondContact N-O 2.9Å; V131-G159 PolarHBondContact O-N 3.33Å |
| 160 | Y | 95 | Very high | 89.7 | Confident | 20 Ų | 20 | 43.4 Ų | 43.4 | 8% | 0.078 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 137.1 | 176.8 | 179.5 | -103.5 | 0 | 0 | 0 | 110.3 | V40 L97 V100 S101 L102 R128 D162 | V40-Y160 HydrophobicContact CG2-CD2 3.89Å; V40-Y160 HydrophobicContact CG2-CE2 4.27Å; L97-Y160 HydrophobicContact CB-CD1 4.34Å; L97-Y160 HydrophobicContact CB-CE1 4.34Å; L97-Y160 HydrophobicContact CD1-CE1 3.93Å; L97-Y160 HydrophobicContact CD2-CD1 4.08Å; L97-Y160 HydrophobicContact CD2-CD2 4.13Å; L97-Y160 HydrophobicContact CD2-CE1 4.04Å; L97-Y160 HydrophobicContact CD2-CE2 4.1Å; L97-Y160 HydrophobicContact CD2-CG 4.1Å; L97-Y160 HydrophobicContact CG-CE1 4.33Å; V100-Y160 PolarHBondContact O-N 3.44Å; S101-Y160 CarbonylContact C-O 3.26Å; S101-Y160 WeakPolarHBondContact CA-O 3.36Å; L102-Y160 PolarHBondContact N-O 2.81Å; R128-Y160 VanDerWaalsContact C-CE2 3.45Å; R128-Y160 VanDerWaalsContact CA-OH 3.29Å; R128-Y160 WeakPolarHBondContact CA-OH 3.24Å; R128-Y160 WeakPolarHBondContact CB-OH 3.4Å; Y160-D162 HydrophobicContact CD1-CB 4.15Å; Y160-D162 HydrophobicContact CE1-CB 3.92Å |
| 161 | V | 95.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -96.9 | 114.2 | 177.6 | -175.6 | 0 | 0 | 0 | 0 | 109.1 | L102 L105 L126 L127 R128 K129 V131 T165 | L102-V161 HydrophobicContact CD1-CG2 4.42Å; L105-V161 HydrophobicContact CD2-CG2 3.85Å; L126-V161 HydrophobicContact CB-CG1 4.48Å; L126-V161 WeakPolarHBondContact O-CB 3.32Å; L127-V161 HydrophobicContact CD2-CG1 4.44Å; R128-V161 WeakPolarHBondContact CA-O 3.47Å; R128-V161 PolarHBondContact N-O 3.09Å; K129-V161 PolarHBondContact O-N 2.86Å; V131-V161 HydrophobicContact CB-CG2 4.49Å; V131-V161 HydrophobicContact CG1-CG2 4Å; V131-V161 HydrophobicContact CG2-CG2 3.65Å; V161-T165 HydrophobicContact CG1-CG2 4.06Å | ||
| 162 | D | 93 | Very high | 90.3 | Very high | 35 Ų | 35 | 38.8 Ų | 38.8 | 19% | 0.187 | 22% | 0.222 | C | C | . | . | trans | -110.3 | -173.2 | 174.3 | 71.2 | 18.3 | 0 | 0 | 0 | 111.9 | S101 L127 Y160 S164 T165 | S101-D162 WeakPolarHBondContact CB-OD2 3.49Å; S101-D162 PolarHBondContact OG-OD2 2.85Å; L127-D162 WeakPolarHBondContact CD2-O 3.43Å; Y160-D162 HydrophobicContact CD1-CB 4.15Å; Y160-D162 HydrophobicContact CE1-CB 3.92Å; D162-S164 VanDerWaalsContact C-N 3.28Å; D162-S164 PolarHBondContact O-N 3.36Å; D162-S164 WeakPolarHBondContact OD1-CA 3.39Å; D162-S164 WeakPolarHBondContact OD1-CB 3.25Å; D162-S164 PolarHBondContact OD1-N 2.99Å; D162-S164 PolarHBondContact OD1-OG 3.39Å; D162-S164 PolarHBondContact OD2-OG 2.9Å; D162-T165 PolarHBondContact N-OG1 2.96Å; D162-T165 WeakPolarHBondContact O-CB 3.48Å; D162-T165 PolarHBondContact O-N 2.9Å; D162-T165 PolarHBondContact O-OG1 3.26Å; D162-T165 PolarHBondContact OD1-N 3.28Å; D162-T165 PolarHBondContact OD1-OG1 3.35Å; D162-T165 VanDerWaalsContact OD1-OG1 3.11Å | ||
| 163 | E | 89.2 | Confident | 91 | Very high | 99 Ų | 99 | 36.1 Ų | 36.1 | 46% | 0.463 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -67.5 | -27.7 | -179.2 | -67.1 | -65.8 | 172.3 | 0 | 0 | 113.4 | R123 | R123-E163 IonicContact CZ-OE2 3.11Å; R123-E163 IonicContact NH1-OE2 2.75Å; R123-E163 PolarHBondContact NH2-O 3.49Å; R123-E163 IonicContact NH2-OE2 3.75Å; R123-E163 PolarHBondContact NH2-OE2 3.15Å |
| 164 | S | 87.7 | Confident | 91.8 | Very high | 78 Ų | 78 | 35 Ų | 35 | 55% | 0.545 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -82.2 | -18.3 | 177.8 | 68.2 | 0 | 0 | 0 | 0 | 113.4 | D162 R166 | D162-S164 VanDerWaalsContact C-N 3.28Å; D162-S164 PolarHBondContact O-N 3.36Å; D162-S164 WeakPolarHBondContact OD1-CA 3.39Å; D162-S164 WeakPolarHBondContact OD1-CB 3.25Å; D162-S164 PolarHBondContact OD1-N 2.99Å; D162-S164 PolarHBondContact OD1-OG 3.39Å; D162-S164 PolarHBondContact OD2-OG 2.9Å; S164-R166 PolarHBondContact O-N 3.32Å; S164-R166 VanDerWaalsContact O-N 3.16Å |
| 165 | T | 91.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -60 | 118.7 | 177.4 | -53.5 | 0 | 0 | 0 | 0 | 110.9 | L102 L105 V161 D162 | L102-T165 HydrophobicContact CB-CG2 3.72Å; L102-T165 WeakPolarHBondContact O-CA 3.31Å; L102-T165 WeakPolarHBondContact O-CB 3.43Å; L102-T165 PolarHBondContact O-OG1 3.02Å; L105-T165 HydrophobicContact CB-CG2 4.06Å; V161-T165 HydrophobicContact CG1-CG2 4.06Å; D162-T165 PolarHBondContact N-OG1 2.96Å; D162-T165 WeakPolarHBondContact O-CB 3.48Å; D162-T165 PolarHBondContact O-N 2.9Å; D162-T165 PolarHBondContact O-OG1 3.26Å; D162-T165 PolarHBondContact OD1-N 3.28Å; D162-T165 PolarHBondContact OD1-OG1 3.35Å; D162-T165 VanDerWaalsContact OD1-OG1 3.11Å | ||
| 166 | R | 90.1 | Very high | 92.7 | Very high | 63 Ų | 63 | 22.8 Ų | 22.8 | 24% | 0.238 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 123.1 | 174.7 | -66.8 | 173 | -74.5 | -159.6 | -5.2 | 109.6 | D103 L104 L105 S164 H608 | D103-R166 PolarHBondContact O-N 3.35Å; D103-R166 PolarHBondContact O-NE 3.22Å; L104-R166 CarbonylContact C-O 3.53Å; L104-R166 WeakPolarHBondContact CA-O 3.45Å; L104-R166 HydrophobicContact CD1-CB 3.86Å; L105-R166 PolarHBondContact N-O 3.48Å; S164-R166 PolarHBondContact O-N 3.32Å; S164-R166 VanDerWaalsContact O-N 3.16Å; R166-H608 WeakPolarHBondContact CD-O 3.48Å; R166-H608 VanDerWaalsContact CZ-O 3.27Å; R166-H608 PolarHBondContact NE-O 3.47Å; R166-H608 PolarHBondContact NH1-O 3.3Å |
| 167 | V | 93.7 | Very high | 93 | Very high | 8 Ų | 8 | 21 Ų | 21 | 5% | 0.048 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 118.1 | 179.6 | -172 | 0 | 0 | 0 | 0 | 109.7 | L105 L107 R123 F169 | L105-V167 HydrophobicContact CB-CG2 4.44Å; L105-V167 HydrophobicContact CD2-CG1 4.42Å; L105-V167 HydrophobicContact CD2-CG2 4.37Å; L105-V167 HydrophobicContact CG-CG1 4.47Å; L105-V167 CarbonylContact O-C 3.58Å; L105-V167 WeakPolarHBondContact O-CA 3.45Å; L107-V167 HydrophobicContact CD1-CG1 3.74Å; L107-V167 HydrophobicContact CG-CG1 4.19Å; R123-V167 HydrophobicContact CB-CG2 4.44Å; R123-V167 HydrophobicContact CG-CG2 4.02Å; V167-F169 HydrophobicContact CB-CE2 4.27Å; V167-F169 HydrophobicContact CG1-CD2 4.48Å; V167-F169 HydrophobicContact CG1-CE1 4.38Å; V167-F169 HydrophobicContact CG1-CE2 3.71Å; V167-F169 HydrophobicContact CG1-CZ 3.66Å |
| 168 | V | 93 | Very high | 93.3 | Very high | 7 Ų | 7 | 18.6 Ų | 18.6 | 4% | 0.042 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 141.8 | 179.6 | 179.4 | 0 | 0 | 0 | 0 | 109.6 | L104 L105 E106 L107 V609 | L104-V168 HydrophobicContact CD1-CG2 3.59Å; L104-V168 HydrophobicContact CG-CG2 4.47Å; L105-V168 PolarHBondContact O-N 3.17Å; E106-V168 WeakPolarHBondContact CA-O 3.3Å; L107-V168 PolarHBondContact N-O 2.96Å; V168-V609 HydrophobicContact CG2-CB 3.62Å; V168-V609 HydrophobicContact CG2-CG1 3.82Å; V168-V609 HydrophobicContact CG2-CG2 4.27Å |
| 169 | F | 94.9 | Very high | 93.6 | Very high | 7 Ų | 7 | 18 Ų | 18 | 3% | 0.031 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 135.1 | -179.6 | -62.5 | -93.2 | 0 | 0 | 0 | 110.2 | L107 F109 C119 L122 V167 C694 | L107-F169 HydrophobicContact CB-CD1 4.05Å; L107-F169 HydrophobicContact CB-CE1 4.26Å; L107-F169 HydrophobicContact CD1-CD1 4.32Å; L107-F169 HydrophobicContact CD1-CE1 3.68Å; L107-F169 HydrophobicContact CD1-CZ 4.16Å; L107-F169 CarbonylContact O-C 3.55Å; L107-F169 WeakPolarHBondContact O-CA 3.37Å; F109-F169 HydrophobicContact CE1-CB 4.06Å; F109-F169 HydrophobicContact CE1-CD1 4.29Å; C119-F169 HydrophobicContact CB-CD1 4.46Å; C119-F169 HydrophobicContact CB-CD2 3.84Å; C119-F169 HydrophobicContact CB-CE1 4.18Å; C119-F169 HydrophobicContact CB-CE2 3.55Å; C119-F169 HydrophobicContact CB-CG 4.3Å; C119-F169 HydrophobicContact CB-CZ 3.73Å; C119-F169 WeakPolarHBondContact O-CZ 3.27Å; L122-F169 HydrophobicContact CB-CE1 4.25Å; L122-F169 HydrophobicContact CB-CZ 4.29Å; L122-F169 HydrophobicContact CD1-CE1 4.05Å; V167-F169 HydrophobicContact CB-CE2 4.27Å; V167-F169 HydrophobicContact CG1-CD2 4.48Å; V167-F169 HydrophobicContact CG1-CE1 4.38Å; V167-F169 HydrophobicContact CG1-CE2 3.71Å; V167-F169 HydrophobicContact CG1-CZ 3.66Å; F169-C694 HydrophobicContact CB-CB 4.19Å; F169-C694 PolarHBondContact O-N 3.02Å |
| 170 | R | 94.5 | Very high | 93.8 | Very high | 37 Ų | 37 | 17.9 Ų | 17.9 | 14% | 0.14 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 148.7 | 175.7 | -63.6 | -167.5 | -179.9 | -123.1 | 2.5 | 111.5 | E106 L107 S108 F109 L691 | E106-R170 VanDerWaalsContact CD-CD 3.48Å; E106-R170 HydrophobicContact CG-CG 4.2Å; E106-R170 WeakPolarHBondContact OE1-CD 3.33Å; E106-R170 IonicContact OE1-NE 3.88Å; E106-R170 PolarHBondContact OE1-NE 2.89Å; E106-R170 IonicContact OE2-CZ 3.29Å; E106-R170 IonicContact OE2-NE 2.77Å; E106-R170 PolarHBondContact OE2-NE 2.95Å; E106-R170 IonicContact OE2-NH2 2.92Å; E106-R170 PolarHBondContact OE2-NH2 3.1Å; L107-R170 PolarHBondContact O-N 3.29Å; S108-R170 VanDerWaalsContact CA-O 3.28Å; S108-R170 WeakPolarHBondContact CA-O 3.37Å; F109-R170 PolarHBondContact N-O 3.27Å; F109-R170 VanDerWaalsContact N-O 3.15Å; R170-L691 HydrophobicContact CB-CB 4.33Å; R170-L691 WeakPolarHBondContact CD-O 3.36Å; R170-L691 PolarHBondContact NH1-O 3.04Å |
| 171 | S | 94.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 125.8 | -177.4 | -176.2 | 0 | 0 | 0 | 0 | 112 | S173 T335 P692 | S171-S173 VanDerWaalsContact C-N 3.26Å; S171-S173 PolarHBondContact OG-N 3.34Å; S171-S173 VanDerWaalsContact OG-N 3.17Å; S171-S173 PolarHBondContact OG-O 3.09Å; S171-T335 WeakPolarHBondContact CB-O 3.44Å; S171-T335 PolarHBondContact OG-O 2.88Å; S171-P692 PolarHBondContact N-O 3.22Å; S171-P692 VanDerWaalsContact N-O 3.11Å; S171-P692 WeakPolarHBondContact O-CD 3.35Å |
| 172 | N | 94.8 | Very high | 94.1 | Very high | 15 Ų | 15 | 17 Ų | 17 | 8% | 0.08 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -84.1 | -2.8 | 168.1 | -65.3 | 65 | 0 | 0 | 0 | 112.2 | F109 K110 K215 S218 L691 | F109-N172 PolarHBondContact O-N 3.2Å; K110-N172 HydrophobicContact CB-CB 3.92Å; K110-N172 HydrophobicContact CD-CB 4.32Å; K110-N172 HydrophobicContact CG-CB 4.06Å; N172-K215 PolarHBondContact ND2-O 2.79Å; N172-S218 PolarHBondContact O-N 2.72Å; N172-L691 HydrophobicContact CB-CD2 4.32Å; N172-L691 WeakPolarHBondContact ND2-CD2 3.47Å; N172-L691 WeakPolarHBondContact OD1-CD2 3.37Å |
| 173 | S | 94.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.007 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -137.5 | 82 | -178.1 | -63.8 | 0 | 0 | 0 | 0 | 108.6 | E111 S171 S218 R334 T335 | E111-S173 PolarHBondContact N-OG 2.94Å; S171-S173 VanDerWaalsContact C-N 3.26Å; S171-S173 PolarHBondContact OG-N 3.34Å; S171-S173 VanDerWaalsContact OG-N 3.17Å; S171-S173 PolarHBondContact OG-O 3.09Å; S173-S218 WeakPolarHBondContact CA-O 3.31Å; S173-S218 PolarHBondContact OG-O 2.76Å; S173-R334 CarbonylContact O-C 3.59Å; S173-R334 WeakPolarHBondContact O-CA 3.35Å; S173-R334 WeakPolarHBondContact O-CB 3.45Å; S173-T335 PolarHBondContact O-N 3.45Å; S173-T335 VanDerWaalsContact O-O 3.1Å |
| 174 | A | 92.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.07 | C | C | . | . | trans | -111.5 | 162.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V176 H219 F220 T335 P692 | A174-V176 HydrophobicContact CB-CG2 4.4Å; A174-H219 PolarHBondContact N-ND1 3.26Å; A174-H219 WeakPolarHBondContact O-CA 3.18Å; A174-F220 PolarHBondContact O-N 3.03Å; A174-T335 WeakPolarHBondContact CA-O 3.45Å; A174-P692 HydrophobicContact CB-CG 3.6Å | ||
| 175 | L | 91.9 | Very high | 95.1 | Very high | 4 Ų | 4 | 11.2 Ų | 11.2 | 2% | 0.021 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 119 | 166.2 | 179.5 | 61.6 | 0 | 0 | 0 | 109.1 | Y177 F220 N266 F322 F323 G336 Q337 L338 | L175-Y177 HydrophobicContact CD1-CE2 4.3Å; L175-Y177 HydrophobicContact CD2-CE2 4.16Å; L175-Y177 HydrophobicContact CG-CD2 4.45Å; L175-Y177 HydrophobicContact CG-CE2 4.07Å; L175-F220 CarbonylContact C-O 3.55Å; L175-F220 WeakPolarHBondContact CA-O 3.14Å; L175-F220 HydrophobicContact CD1-CB 4.11Å; L175-N266 WeakPolarHBondContact CD1-OD1 3.2Å; L175-F322 HydrophobicContact CD2-CD1 3.76Å; L175-F322 HydrophobicContact CD2-CE1 3.4Å; L175-F323 HydrophobicContact CD2-CD1 4.39Å; L175-F323 HydrophobicContact CD2-CE1 3.84Å; L175-F323 HydrophobicContact CG-CE1 4.32Å; L175-G336 PolarHBondContact N-O 2.76Å; L175-Q337 CarbonylContact O-C 3.58Å; L175-Q337 VanDerWaalsContact O-CA 3.29Å; L175-Q337 WeakPolarHBondContact O-CA 3.5Å; L175-L338 PolarHBondContact O-N 2.76Å |
| 176 | V | 94.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 126.1 | -172.7 | -177 | 0 | 0 | 0 | 0 | 110 | A174 I178 W212 H219 F220 V221 S222 L338 I340 | A174-V176 HydrophobicContact CB-CG2 4.4Å; V176-I178 HydrophobicContact CG1-CG1 4.12Å; V176-W212 HydrophobicContact CG1-CH2 4.46Å; V176-W212 HydrophobicContact CG1-CZ2 4.42Å; V176-H219 HydrophobicContact CG2-CB 3.73Å; V176-F220 PolarHBondContact N-O 3.04Å; V176-V221 HydrophobicContact CB-CG1 4.47Å; V176-V221 HydrophobicContact CB-CG2 4.31Å; V176-V221 CarbonylContact O-C 3.6Å; V176-V221 VanDerWaalsContact O-CA 3.27Å; V176-V221 WeakPolarHBondContact O-CA 3.07Å; V176-S222 PolarHBondContact O-N 3.12Å; V176-L338 WeakPolarHBondContact CA-O 3.47Å; V176-L338 HydrophobicContact CG1-CD2 4.33Å; V176-L338 HydrophobicContact CG2-CB 4.29Å; V176-L338 HydrophobicContact CG2-CD2 4.46Å; V176-I340 HydrophobicContact CG1-CD1 3.74Å; V176-I340 HydrophobicContact CG1-CG1 4.28Å |
| 177 | Y | 95.5 | Very high | 95.5 | Very high | 2 Ų | 2 | 12.2 Ų | 12.2 | 1% | 0.008 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 120 | 169 | -81.3 | -98.4 | 0 | 0 | 0 | 109.2 | L175 M179 P319 F323 L338 I340 F1155 | L175-Y177 HydrophobicContact CD1-CE2 4.3Å; L175-Y177 HydrophobicContact CD2-CE2 4.16Å; L175-Y177 HydrophobicContact CG-CD2 4.45Å; L175-Y177 HydrophobicContact CG-CE2 4.07Å; Y177-M179 HydrophobicContact CD1-SD 4.2Å; Y177-P319 HydrophobicContact CD1-CB 4.11Å; Y177-P319 HydrophobicContact CD2-CB 3.93Å; Y177-P319 HydrophobicContact CE1-CB 4.33Å; Y177-P319 HydrophobicContact CE2-CB 4.15Å; Y177-P319 HydrophobicContact CG-CB 3.9Å; Y177-F323 AromaticContact CD2-CE1 3.98Å; Y177-F323 HydrophobicContact CD2-CE1 3.98Å; Y177-F323 AromaticContact CD2-CZ 3.74Å; Y177-F323 HydrophobicContact CD2-CZ 3.74Å; Y177-F323 AromaticContact CE2-CE1 3.86Å; Y177-F323 HydrophobicContact CE2-CE1 3.86Å; Y177-F323 HydrophobicContact CE2-CZ 4.09Å; Y177-L338 PolarHBondContact N-O 3.16Å; Y177-I340 PolarHBondContact O-N 3.33Å; Y177-F1155 HydrophobicContact CD1-CD2 4.4Å; Y177-F1155 HydrophobicContact CD1-CE2 4.19Å; Y177-F1155 AromaticContact CE1-CD2 3.66Å; Y177-F1155 HydrophobicContact CE1-CD2 3.66Å; Y177-F1155 AromaticContact CE1-CE2 3.88Å; Y177-F1155 HydrophobicContact CE1-CE2 3.88Å |
| 178 | I | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 106.7 | 171.9 | -56.1 | 178.8 | 0 | 0 | 0 | 107.7 | V176 I180 L205 L208 F209 W212 V221 S222 I223 V224 I340 I342 | V176-I178 HydrophobicContact CG1-CG1 4.12Å; I178-I180 HydrophobicContact CG2-CD1 4.4Å; I178-I180 HydrophobicContact CG2-CG1 4.08Å; I178-L205 HydrophobicContact CG2-CD2 4.47Å; I178-L208 HydrophobicContact CD1-CD2 4.21Å; I178-F209 HydrophobicContact CD1-CE1 4.43Å; I178-W212 HydrophobicContact CD1-CH2 4.06Å; I178-V221 HydrophobicContact CD1-CG1 3.76Å; I178-V221 HydrophobicContact CG1-CG1 3.95Å; I178-S222 PolarHBondContact N-O 3.32Å; I178-I223 HydrophobicContact CB-CG1 4.32Å; I178-I223 HydrophobicContact CD1-CG1 4.42Å; I178-I223 WeakPolarHBondContact O-CA 3.18Å; I178-V224 PolarHBondContact O-N 3.01Å; I178-I340 WeakPolarHBondContact CA-O 3.45Å; I178-I340 HydrophobicContact CG1-CD1 4.24Å; I178-I342 HydrophobicContact CG2-CD1 3.81Å; I178-I342 HydrophobicContact CG2-CG1 4.36Å |
| 179 | M | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 118.3 | -179.1 | -50.8 | -57.3 | -71.9 | 0 | 0 | 108.6 | Y177 V224 F226 Y260 T315 I340 V341 I342 F1155 | Y177-M179 HydrophobicContact CD1-SD 4.2Å; M179-V224 CarbonylContact C-O 3.57Å; M179-V224 WeakPolarHBondContact CA-O 3.2Å; M179-V224 HydrophobicContact CE-CB 3.57Å; M179-V224 HydrophobicContact CE-CG1 3.84Å; M179-V224 HydrophobicContact CE-CG2 3.9Å; M179-V224 HydrophobicContact SD-CB 3.63Å; M179-V224 HydrophobicContact SD-CG2 3.61Å; M179-F226 HydrophobicContact CB-CD1 4.13Å; M179-F226 HydrophobicContact CB-CE1 3.85Å; M179-Y260 HydrophobicContact CE-CD1 4.5Å; M179-Y260 HydrophobicContact CE-CE1 4.42Å; M179-T315 HydrophobicContact CB-CG2 3.92Å; M179-T315 HydrophobicContact CE-CG2 3.33Å; M179-T315 HydrophobicContact CG-CG2 4.02Å; M179-I340 PolarHBondContact N-O 3.37Å; M179-V341 HydrophobicContact CB-CG2 4.31Å; M179-V341 CarbonylContact O-C 3.5Å; M179-V341 WeakPolarHBondContact O-CA 3.24Å; M179-I342 PolarHBondContact O-N 2.81Å; M179-F1155 HydrophobicContact CE-CE1 4.48Å; M179-F1155 HydrophobicContact CE-CE2 4.23Å; M179-F1155 HydrophobicContact CE-CZ 3.61Å |
| 180 | I | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 118.1 | -176.2 | -46.5 | -175.8 | 0 | 0 | 0 | 109.6 | I178 M182 L205 I223 V224 L225 F226 F283 I342 | I178-I180 HydrophobicContact CG2-CD1 4.4Å; I178-I180 HydrophobicContact CG2-CG1 4.08Å; I180-M182 HydrophobicContact CG2-SD 4.33Å; I180-M182 PolarHBondContact O-N 2.84Å; I180-L205 HydrophobicContact CD1-CD1 4.24Å; I180-I223 HydrophobicContact CD1-CG2 4.22Å; I180-V224 PolarHBondContact N-O 2.94Å; I180-L225 HydrophobicContact CB-CD2 3.76Å; I180-L225 HydrophobicContact CD1-CD2 3.98Å; I180-L225 HydrophobicContact CG1-CD2 4.17Å; I180-L225 HydrophobicContact CG2-CD2 4.37Å; I180-L225 WeakPolarHBondContact O-CA 3.5Å; I180-F226 VanDerWaalsContact C-CE1 3.42Å; I180-F226 VanDerWaalsContact O-CD1 3.27Å; I180-F226 WeakPolarHBondContact O-CD1 3.47Å; I180-F226 PolarHBondContact O-N 2.85Å; I180-F283 HydrophobicContact CD1-CE2 4.24Å; I180-F283 HydrophobicContact CD1-CZ 4.3Å; I180-F283 HydrophobicContact CG2-CZ 4Å; I180-I342 HydrophobicContact CD1-CD1 4.31Å; I180-I342 HydrophobicContact CG1-CB 4.5Å; I180-I342 HydrophobicContact CG1-CD1 4.09Å; I180-I342 HydrophobicContact CG2-CB 4.37Å |
| 181 | Q | 98.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 118.9 | 179.6 | -167.2 | 173.6 | 18.4 | 0 | 0 | 110.7 | S183 M186 F226 A307 I342 S343 | Q181-S183 PolarHBondContact O-N 3.19Å; Q181-M186 WeakPolarHBondContact O-CG 3.38Å; Q181-F226 HydrophobicContact CB-CE1 3.85Å; Q181-F226 HydrophobicContact CB-CE2 3.86Å; Q181-F226 HydrophobicContact CB-CZ 3.42Å; Q181-F226 VanDerWaalsContact CB-CZ 3.42Å; Q181-F226 HydrophobicContact CG-CD2 4.35Å; Q181-F226 HydrophobicContact CG-CE2 3.63Å; Q181-F226 HydrophobicContact CG-CZ 3.75Å; Q181-F226 VanDerWaalsContact N-CE1 3.34Å; Q181-A307 PolarHBondContact NE2-O 3.36Å; Q181-I342 PolarHBondContact N-O 3.17Å; Q181-S343 PolarHBondContact OE1-OG 2.96Å |
| 182 | M | 97.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | trans | -99.8 | 53.2 | 179.9 | -62.1 | -58.8 | -62.4 | 0 | 0 | 111.8 | I180 M186 W187 L225 F226 F283 Y286 N304 | I180-M182 HydrophobicContact CG2-SD 4.33Å; I180-M182 PolarHBondContact O-N 2.84Å; M182-M186 HydrophobicContact CE-CG 4.49Å; M182-M186 HydrophobicContact SD-CG 4.28Å; M182-W187 HydrophobicContact CB-CH2 4.38Å; M182-W187 HydrophobicContact CE-CH2 3.71Å; M182-W187 HydrophobicContact CE-CZ2 3.85Å; M182-L225 HydrophobicContact CG-CB 3.81Å; M182-L225 HydrophobicContact CG-CD1 4.37Å; M182-L225 HydrophobicContact CG-CD2 4.45Å; M182-L225 HydrophobicContact CG-CG 4.43Å; M182-L225 HydrophobicContact SD-CD1 4.48Å; M182-L225 HydrophobicContact SD-CD2 4.3Å; M182-F226 PolarHBondContact N-O 2.77Å; M182-F283 HydrophobicContact CE-CD1 3.9Å; M182-F283 HydrophobicContact CE-CE1 4.18Å; M182-F283 HydrophobicContact CE-CG 4.15Å; M182-F283 HydrophobicContact SD-CD1 4.29Å; M182-F283 HydrophobicContact SD-CE1 4.01Å; M182-F283 HydrophobicContact SD-CE2 4.24Å; M182-F283 HydrophobicContact SD-CZ 4Å; M182-Y286 HydrophobicContact CB-CD1 3.8Å; M182-Y286 HydrophobicContact CB-CE1 3.35Å; M182-Y286 HydrophobicContact CE-CD1 4.26Å; M182-Y286 HydrophobicContact CE-CG 4.48Å; M182-Y286 HydrophobicContact CG-CD1 4Å; M182-Y286 HydrophobicContact CG-CE1 3.77Å; M182-Y286 HydrophobicContact CG-CE2 4.41Å; M182-Y286 HydrophobicContact CG-CG 4.42Å; M182-N304 PolarHBondContact O-ND2 2.92Å | ||
| 183 | S | 97.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -79.1 | 175.2 | 175.9 | 63.1 | 0 | 0 | 0 | 0 | 112.4 | Q181 E185 M186 W187 S305 A307 P344 | Q181-S183 PolarHBondContact O-N 3.19Å; S183-E185 WeakPolarHBondContact CB-OE2 3.39Å; S183-E185 PolarHBondContact O-N 3.07Å; S183-E185 PolarHBondContact OG-OE2 2.77Å; S183-M186 WeakPolarHBondContact O-CB 3.3Å; S183-M186 PolarHBondContact O-N 2.95Å; S183-M186 VanDerWaalsContact O-N 3.11Å; S183-W187 WeakPolarHBondContact O-CZ3 3.47Å; S183-S305 WeakPolarHBondContact CA-O 3.45Å; S183-S305 WeakPolarHBondContact CB-O 3.44Å; S183-A307 PolarHBondContact OG-N 2.89Å; S183-P344 WeakPolarHBondContact OG-CG 3.36Å | ||
| 184 | L | 96.7 | Very high | 93.6 | Very high | 59 Ų | 59 | 37 Ų | 37 | 31% | 0.309 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -50.2 | -40.7 | -177.9 | -74.6 | 172 | 0 | 0 | 0 | 113.8 | M186 W187 N304 S305 T306 | L184-M186 PolarHBondContact O-N 2.86Å; L184-M186 VanDerWaalsContact O-N 3.15Å; L184-W187 PolarHBondContact O-N 3.38Å; L184-N304 WeakPolarHBondContact CD1-O 3.22Å; L184-N304 HydrophobicContact CD2-CB 3.91Å; L184-N304 HydrophobicContact CG-CB 4.19Å; L184-N304 WeakPolarHBondContact CG-O 3.44Å; L184-S305 PolarHBondContact N-O 2.97Å; L184-T306 HydrophobicContact CD1-CG2 3.97Å |
| 185 | E | 96.6 | Very high | 93.7 | Very high | 31 Ų | 31 | 38.8 Ų | 38.8 | 15% | 0.145 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -61.4 | -23.5 | -176.8 | -58 | 89.7 | 156.4 | 0 | 0 | 112.6 | S183 W187 E188 Y196 T306 A307 P344 | S183-E185 WeakPolarHBondContact CB-OE2 3.39Å; S183-E185 PolarHBondContact O-N 3.07Å; S183-E185 PolarHBondContact OG-OE2 2.77Å; E185-W187 PolarHBondContact O-N 2.82Å; E185-E188 WeakPolarHBondContact O-CB 3.25Å; E185-E188 PolarHBondContact O-N 2.82Å; E185-Y196 WeakPolarHBondContact O-CD2 3.36Å; E185-T306 WeakPolarHBondContact OE1-CA 3.49Å; E185-T306 WeakPolarHBondContact OE1-CB 3.24Å; E185-T306 WeakPolarHBondContact OE2-CA 3.39Å; E185-A307 VanDerWaalsContact CD-N 3.32Å; E185-A307 PolarHBondContact OE1-N 2.85Å; E185-A307 PolarHBondContact OE2-N 2.72Å; E185-P344 HydrophobicContact CB-CB 3.65Å; E185-P344 HydrophobicContact CB-CG 3.83Å |
| 186 | M | 96.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -58.1 | -22.1 | 176.7 | -85.3 | -69.8 | 140.2 | 0 | 0 | 114.3 | Q181 M182 S183 L184 S197 F283 P344 L375 | Q181-M186 WeakPolarHBondContact O-CG 3.38Å; M182-M186 HydrophobicContact CE-CG 4.49Å; M182-M186 HydrophobicContact SD-CG 4.28Å; S183-M186 WeakPolarHBondContact O-CB 3.3Å; S183-M186 PolarHBondContact O-N 2.95Å; S183-M186 VanDerWaalsContact O-N 3.11Å; L184-M186 PolarHBondContact O-N 2.86Å; L184-M186 VanDerWaalsContact O-N 3.15Å; M186-S197 VanDerWaalsContact O-CB 3.26Å; M186-S197 WeakPolarHBondContact O-CB 3.43Å; M186-S197 PolarHBondContact O-N 3.4Å; M186-S197 VanDerWaalsContact O-N 3.13Å; M186-S197 PolarHBondContact O-OG 3.23Å; M186-F283 HydrophobicContact SD-CE1 4.38Å; M186-P344 HydrophobicContact CE-CB 3.44Å; M186-P344 VanDerWaalsContact CE-CB 3.44Å; M186-P344 HydrophobicContact CE-CG 3.67Å; M186-P344 HydrophobicContact CG-CB 4.45Å; M186-P344 HydrophobicContact CG-CG 4.14Å; M186-L375 HydrophobicContact CE-CD1 3.37Å |
| 187 | W | 95.2 | Very high | 93.8 | Very high | 83 Ų | 83 | 40.7 Ų | 40.7 | 31% | 0.314 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -106.5 | 12.2 | 178.2 | -65.4 | -86.2 | 0 | 0 | 0 | 113.1 | M182 S183 L184 E185 Y286 R287 | M182-W187 HydrophobicContact CB-CH2 4.38Å; M182-W187 HydrophobicContact CE-CH2 3.71Å; M182-W187 HydrophobicContact CE-CZ2 3.85Å; S183-W187 WeakPolarHBondContact O-CZ3 3.47Å; L184-W187 PolarHBondContact O-N 3.38Å; E185-W187 PolarHBondContact O-N 2.82Å; W187-Y286 HydrophobicContact CH2-CD1 4.33Å; W187-R287 HydrophobicContact CZ2-CB 4.33Å |
| 188 | E | 95.3 | Very high | 93.7 | Very high | 103 Ų | 103 | 44.6 Ų | 44.6 | 48% | 0.481 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -99.2 | 155.8 | 172.8 | -63.6 | 178.2 | 174.8 | 0 | 0 | 110.3 | E185 L195 Y196 | E185-E188 WeakPolarHBondContact O-CB 3.25Å; E185-E188 PolarHBondContact O-N 2.82Å; E188-L195 WeakPolarHBondContact O-CA 3.43Å; E188-Y196 HydrophobicContact CB-CD2 4.36Å; E188-Y196 HydrophobicContact CB-CE2 4.5Å; E188-Y196 WeakPolarHBondContact O-CD2 3.43Å; E188-Y196 PolarHBondContact O-N 3.26Å; E188-Y196 VanDerWaalsContact O-N 3.12Å |
| 189 | F | 93.4 | Very high | 93.5 | Very high | 147 Ų | 147 | 45.1 Ų | 45.1 | 65% | 0.645 | 22% | 0.22 | S | C | * | . | B | Isolated β-bridge | trans | -82.7 | 138.2 | 176.4 | -64.4 | -74.5 | 0 | 0 | 0 | 110.3 | G193 D194 L195 | F189-G193 VanDerWaalsContact CD1-O 3.25Å; F189-G193 WeakPolarHBondContact CD1-O 3.31Å; F189-D194 CarbonylContact C-O 3.56Å; F189-D194 WeakPolarHBondContact CA-O 3.43Å; F189-L195 HydrophobicContact CD1-CD2 3.69Å; F189-L195 HydrophobicContact CD1-CG 4.18Å; F189-L195 HydrophobicContact CD2-CD2 4.46Å; F189-L195 HydrophobicContact CE1-CD2 3.62Å; F189-L195 HydrophobicContact CE1-CG 3.96Å; F189-L195 HydrophobicContact CE2-CD2 4.38Å; F189-L195 HydrophobicContact CG-CD2 4.14Å; F189-L195 HydrophobicContact CZ-CD2 3.98Å |
| 190 | D | 87.7 | Confident | 93.4 | Very high | 12 Ų | 12 | 45.1 Ų | 45.1 | 6% | 0.064 | 22% | 0.22 | C | C | . | . | trans | -78.1 | 180 | 167.8 | 74.8 | 7.2 | 0 | 0 | 0 | 111.5 | Q192 G193 D194 Y196 K199 | D190-Q192 PolarHBondContact O-N 3.14Å; D190-Q192 VanDerWaalsContact OD1-CA 3.3Å; D190-Q192 WeakPolarHBondContact OD1-CA 3.43Å; D190-Q192 WeakPolarHBondContact OD1-CB 3.21Å; D190-Q192 PolarHBondContact OD1-N 3.45Å; D190-Q192 PolarHBondContact OD2-OE1 3.4Å; D190-G193 PolarHBondContact O-N 2.96Å; D190-G193 PolarHBondContact OD1-N 3.47Å; D190-D194 PolarHBondContact N-O 3.16Å; D190-D194 PolarHBondContact OD1-N 3.07Å; D190-Y196 HydrophobicContact CB-CD1 4.41Å; D190-Y196 HydrophobicContact CB-CE1 3.94Å; D190-Y196 HydrophobicContact CB-CE2 4.37Å; D190-K199 WeakPolarHBondContact OD2-CD 3.31Å; D190-K199 IonicContact OD2-NZ 2.92Å | ||
| 191 | K | 83.1 | Confident | 93.2 | Very high | 132 Ų | 132 | 45.9 Ų | 45.9 | 57% | 0.574 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -20.8 | 178.4 | 62.4 | 162.2 | 161.9 | -139 | 0 | 113.8 | G193 E377 | K191-G193 VanDerWaalsContact C-N 3.34Å; K191-E377 WeakPolarHBondContact CD-OE1 3.12Å; K191-E377 WeakPolarHBondContact CE-OE1 3.45Å; K191-E377 IonicContact NZ-OE1 2.87Å; K191-E377 PolarHBondContact NZ-OE1 3.27Å |
| 192 | Q | 83.1 | Confident | 92.9 | Very high | 85 Ų | 85 | 49.4 Ų | 49.4 | 40% | 0.397 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -11.1 | 176.5 | -69.5 | 91.3 | 0.2 | 0 | 0 | 112 | D190 D423 | D190-Q192 PolarHBondContact O-N 3.14Å; D190-Q192 VanDerWaalsContact OD1-CA 3.3Å; D190-Q192 WeakPolarHBondContact OD1-CA 3.43Å; D190-Q192 WeakPolarHBondContact OD1-CB 3.21Å; D190-Q192 PolarHBondContact OD1-N 3.45Å; D190-Q192 PolarHBondContact OD2-OE1 3.4Å; Q192-D423 PolarHBondContact NE2-OD1 2.86Å |
| 193 | G | 87.6 | Confident | 92.6 | Very high | 43 Ų | 43 | 49.6 Ų | 49.6 | 44% | 0.443 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 89.4 | 8.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | F189 D190 K191 | F189-G193 VanDerWaalsContact CD1-O 3.25Å; F189-G193 WeakPolarHBondContact CD1-O 3.31Å; D190-G193 PolarHBondContact O-N 2.96Å; D190-G193 PolarHBondContact OD1-N 3.47Å; K191-G193 VanDerWaalsContact C-N 3.34Å |
| 194 | D | 89.1 | Confident | 92.6 | Very high | 74 Ų | 74 | 49.6 Ų | 49.6 | 40% | 0.396 | 25% | 0.245 | S | C | . | . | trans | -88.2 | 148.1 | 172.3 | -73.8 | -31.1 | 0 | 0 | 0 | 109.5 | F189 D190 | F189-D194 CarbonylContact C-O 3.56Å; F189-D194 WeakPolarHBondContact CA-O 3.43Å; D190-D194 PolarHBondContact N-O 3.16Å; D190-D194 PolarHBondContact OD1-N 3.07Å | ||
| 195 | L | 94.3 | Very high | 92.6 | Very high | 37 Ų | 37 | 46.8 Ų | 46.8 | 19% | 0.194 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -66.8 | 143.8 | 168.9 | -65.9 | 174.6 | 0 | 0 | 0 | 109.8 | E188 F189 S197 E198 K199 | E188-L195 WeakPolarHBondContact O-CA 3.43Å; F189-L195 HydrophobicContact CD1-CD2 3.69Å; F189-L195 HydrophobicContact CD1-CG 4.18Å; F189-L195 HydrophobicContact CD2-CD2 4.46Å; F189-L195 HydrophobicContact CE1-CD2 3.62Å; F189-L195 HydrophobicContact CE1-CG 3.96Å; F189-L195 HydrophobicContact CE2-CD2 4.38Å; F189-L195 HydrophobicContact CG-CD2 4.14Å; F189-L195 HydrophobicContact CZ-CD2 3.98Å; L195-S197 PolarHBondContact O-N 3.14Å; L195-S197 VanDerWaalsContact O-N 3.11Å; L195-E198 HydrophobicContact CB-CB 4.27Å; L195-E198 HydrophobicContact CB-CG 4.04Å; L195-E198 PolarHBondContact N-OE2 2.97Å; L195-E198 CarbonylContact O-C 3.6Å; L195-E198 WeakPolarHBondContact O-CA 3.33Å; L195-E198 WeakPolarHBondContact O-CB 3.33Å; L195-E198 PolarHBondContact O-N 3.24Å; L195-K199 PolarHBondContact O-N 3.08Å |
| 196 | Y | 95.2 | Very high | 92.5 | Very high | 32 Ų | 32 | 46.5 Ų | 46.5 | 13% | 0.125 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.8 | -33.3 | 174.7 | -77.7 | -72.9 | 0 | 0 | 0 | 112.9 | E185 E188 D190 K199 C200 P344 L375 | E185-Y196 WeakPolarHBondContact O-CD2 3.36Å; E188-Y196 HydrophobicContact CB-CD2 4.36Å; E188-Y196 HydrophobicContact CB-CE2 4.5Å; E188-Y196 WeakPolarHBondContact O-CD2 3.43Å; E188-Y196 PolarHBondContact O-N 3.26Å; E188-Y196 VanDerWaalsContact O-N 3.12Å; D190-Y196 HydrophobicContact CB-CD1 4.41Å; D190-Y196 HydrophobicContact CB-CE1 3.94Å; D190-Y196 HydrophobicContact CB-CE2 4.37Å; Y196-K199 HydrophobicContact CD1-CD 4.42Å; Y196-K199 PolarHBondContact O-N 3.5Å; Y196-C200 WeakPolarHBondContact O-CB 3.47Å; Y196-C200 PolarHBondContact O-N 3.4Å; Y196-P344 HydrophobicContact CG-CB 4.27Å; Y196-L375 HydrophobicContact CD1-CB 3.78Å; Y196-L375 HydrophobicContact CE1-CB 4.36Å; Y196-L375 WeakPolarHBondContact CE1-O 3.47Å |
| 197 | S | 94.8 | Very high | 92.5 | Very high | 13 Ų | 13 | 49 Ų | 49 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.4 | -38.2 | 171.5 | 46 | 0 | 0 | 0 | 0 | 113.6 | M186 L195 C200 I201 | M186-S197 VanDerWaalsContact O-CB 3.26Å; M186-S197 WeakPolarHBondContact O-CB 3.43Å; M186-S197 PolarHBondContact O-N 3.4Å; M186-S197 VanDerWaalsContact O-N 3.13Å; M186-S197 PolarHBondContact O-OG 3.23Å; L195-S197 PolarHBondContact O-N 3.14Å; L195-S197 VanDerWaalsContact O-N 3.11Å; S197-C200 PolarHBondContact O-N 2.92Å; S197-I201 WeakPolarHBondContact O-CG1 3.38Å; S197-I201 PolarHBondContact O-N 2.97Å |
| 198 | E | 92.9 | Very high | 92.6 | Very high | 83 Ų | 83 | 45.1 Ų | 45.1 | 39% | 0.388 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -72.4 | -39.1 | 175.1 | -67.9 | 176.1 | 145.7 | 0 | 0 | 111.3 | L195 C200 I201 N202 | L195-E198 HydrophobicContact CB-CB 4.27Å; L195-E198 HydrophobicContact CB-CG 4.04Å; L195-E198 PolarHBondContact N-OE2 2.97Å; L195-E198 CarbonylContact O-C 3.6Å; L195-E198 WeakPolarHBondContact O-CA 3.33Å; L195-E198 WeakPolarHBondContact O-CB 3.33Å; L195-E198 PolarHBondContact O-N 3.24Å; E198-C200 PolarHBondContact O-N 2.9Å; E198-I201 PolarHBondContact O-N 3.45Å; E198-N202 WeakPolarHBondContact O-CA 3.36Å; E198-N202 VanDerWaalsContact O-CB 3.25Å; E198-N202 WeakPolarHBondContact O-CB 3.45Å; E198-N202 PolarHBondContact O-N 3.17Å |
| 199 | K | 92.9 | Very high | 92.6 | Very high | 12 Ų | 12 | 40.6 Ų | 40.6 | 5% | 0.052 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.1 | -39.1 | 171.8 | -168.7 | 179.5 | -168.8 | 172.1 | 0 | 111.7 | D190 L195 Y196 G203 F204 L375 Y422 | D190-K199 WeakPolarHBondContact OD2-CD 3.31Å; D190-K199 IonicContact OD2-NZ 2.92Å; L195-K199 PolarHBondContact O-N 3.08Å; Y196-K199 HydrophobicContact CD1-CD 4.42Å; Y196-K199 PolarHBondContact O-N 3.5Å; K199-G203 VanDerWaalsContact O-CA 3.24Å; K199-G203 WeakPolarHBondContact O-CA 3.5Å; K199-G203 PolarHBondContact O-N 3.09Å; K199-F204 PolarHBondContact O-N 3.17Å; K199-L375 HydrophobicContact CD-CB 4.32Å; K199-L375 HydrophobicContact CG-CD2 4.49Å; K199-L375 PolarHBondContact NZ-O 2.91Å; K199-Y422 WeakPolarHBondContact CE-O 3.35Å; K199-Y422 HydrophobicContact CG-CD1 4.06Å; K199-Y422 HydrophobicContact CG-CE1 4.08Å; K199-Y422 PolarHBondContact NZ-O 3.08Å |
| 200 | C | 95.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -68.3 | -55 | 174.3 | -173.1 | 0 | 0 | 0 | 0 | 112.6 | Y196 S197 E198 F204 L205 L375 | Y196-C200 WeakPolarHBondContact O-CB 3.47Å; Y196-C200 PolarHBondContact O-N 3.4Å; S197-C200 PolarHBondContact O-N 2.92Å; E198-C200 PolarHBondContact O-N 2.9Å; C200-F204 PolarHBondContact O-N 3.4Å; C200-L205 WeakPolarHBondContact O-CG 3.31Å; C200-L205 PolarHBondContact O-N 2.82Å; C200-L375 HydrophobicContact CB-CD1 3.8Å |
| 201 | I | 94.3 | Very high | 93.1 | Very high | 15 Ų | 15 | 41.6 Ų | 41.6 | 8% | 0.077 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -75.8 | -38.6 | -171.9 | -67.2 | 165.1 | 0 | 0 | 0 | 113.1 | S197 E198 P206 I279 K280 F283 | S197-I201 WeakPolarHBondContact O-CG1 3.38Å; S197-I201 PolarHBondContact O-N 2.97Å; E198-I201 PolarHBondContact O-N 3.45Å; I201-P206 WeakPolarHBondContact O-CD 3.42Å; I201-P206 WeakPolarHBondContact O-CG 3.37Å; I201-I279 HydrophobicContact CG1-CG2 4.15Å; I201-K280 HydrophobicContact CG2-CB 4.43Å; I201-F283 HydrophobicContact CD1-CB 3.84Å; I201-F283 HydrophobicContact CD1-CD1 3.29Å; I201-F283 HydrophobicContact CD1-CD2 3.9Å; I201-F283 HydrophobicContact CD1-CE1 3.62Å; I201-F283 HydrophobicContact CD1-CE2 4.18Å; I201-F283 HydrophobicContact CD1-CG 3.42Å; I201-F283 VanDerWaalsContact CD1-CG 3.42Å; I201-F283 HydrophobicContact CD1-CZ 4.03Å; I201-F283 HydrophobicContact CG1-CD1 4.12Å; I201-F283 HydrophobicContact CG1-CD2 4.47Å; I201-F283 HydrophobicContact CG1-CE1 3.91Å; I201-F283 HydrophobicContact CG1-CE2 4.28Å; I201-F283 HydrophobicContact CG1-CG 4.37Å; I201-F283 HydrophobicContact CG1-CZ 3.98Å |
| 202 | N | 90.8 | Very high | 93.7 | Very high | 76 Ų | 76 | 35.5 Ų | 35.5 | 41% | 0.406 | 19% | 0.186 | S | C | . | . | I | π-helix | trans | -102.9 | -5.8 | -173.7 | -55.9 | -39.4 | 0 | 0 | 0 | 113 | E198 K426 | E198-N202 WeakPolarHBondContact O-CA 3.36Å; E198-N202 VanDerWaalsContact O-CB 3.25Å; E198-N202 WeakPolarHBondContact O-CB 3.45Å; E198-N202 PolarHBondContact O-N 3.17Å; N202-K426 PolarHBondContact O-NZ 3.17Å |
| 203 | G | 93 | Very high | 94.2 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 4% | 0.041 | 19% | 0.194 | C | C | . | . | I | π-helix | trans | -117.8 | -86.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | K199 L205 P206 D207 Y422 | K199-G203 VanDerWaalsContact O-CA 3.24Å; K199-G203 WeakPolarHBondContact O-CA 3.5Å; K199-G203 PolarHBondContact O-N 3.09Å; G203-L205 PolarHBondContact O-N 2.83Å; G203-P206 VanDerWaalsContact O-CD 3.24Å; G203-P206 WeakPolarHBondContact O-CD 3.4Å; G203-D207 PolarHBondContact O-N 3.02Å; G203-D207 VanDerWaalsContact O-N 3.08Å; G203-Y422 VanDerWaalsContact C-CZ 3.5Å; G203-Y422 WeakPolarHBondContact CA-OH 3.15Å; G203-Y422 PolarHBondContact O-OH 3.18Å |
| 204 | F | 95.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -58 | -51.4 | -166.4 | 174.1 | -101.4 | 0 | 0 | 0 | 113.6 | K199 C200 D207 L208 I342 V373 L375 Y422 V684 W686 L689 | K199-F204 PolarHBondContact O-N 3.17Å; C200-F204 PolarHBondContact O-N 3.4Å; F204-D207 PolarHBondContact O-N 3.08Å; F204-L208 HydrophobicContact CE1-CD2 4.08Å; F204-L208 HydrophobicContact CZ-CD2 4.2Å; F204-L208 WeakPolarHBondContact O-CB 3.49Å; F204-L208 PolarHBondContact O-N 2.94Å; F204-I342 HydrophobicContact CD1-CD1 3.62Å; F204-I342 HydrophobicContact CD1-CG1 4.41Å; F204-I342 HydrophobicContact CE1-CD1 3.44Å; F204-I342 VanDerWaalsContact CE1-CD1 3.44Å; F204-I342 HydrophobicContact CE1-CG1 4Å; F204-V373 HydrophobicContact CD2-CG1 3.96Å; F204-V373 HydrophobicContact CE2-CB 4.42Å; F204-V373 HydrophobicContact CE2-CG1 3.68Å; F204-V373 HydrophobicContact CE2-CG2 4.1Å; F204-V373 HydrophobicContact CG-CG1 4.49Å; F204-V373 HydrophobicContact CZ-CB 4.3Å; F204-V373 HydrophobicContact CZ-CG1 4Å; F204-V373 HydrophobicContact CZ-CG2 3.87Å; F204-L375 HydrophobicContact CB-CD2 4.42Å; F204-Y422 VanDerWaalsContact CA-CZ 3.48Å; F204-Y422 HydrophobicContact CB-CD1 3.74Å; F204-Y422 HydrophobicContact CB-CD2 4.11Å; F204-Y422 HydrophobicContact CB-CE1 3.79Å; F204-Y422 HydrophobicContact CB-CE2 4.14Å; F204-Y422 HydrophobicContact CB-CG 3.91Å; F204-Y422 AromaticContact CD2-CD2 3.71Å; F204-Y422 HydrophobicContact CD2-CD2 3.71Å; F204-Y422 HydrophobicContact CD2-CE2 4.24Å; F204-Y422 AromaticContact CD2-CG 3.91Å; F204-Y422 HydrophobicContact CD2-CG 3.91Å; F204-Y422 HydrophobicContact CG-CD2 4.41Å; F204-Y422 HydrophobicContact CG-CG 4.35Å; F204-Y422 VanDerWaalsContact N-CE1 3.3Å; F204-Y422 VanDerWaalsContact N-CZ 3.25Å; F204-Y422 PolarHBondContact N-OH 2.95Å; F204-V684 HydrophobicContact CE2-CG1 4.27Å; F204-W686 HydrophobicContact CD2-CH2 4.19Å; F204-W686 HydrophobicContact CE2-CH2 4.23Å; F204-W686 HydrophobicContact CE2-CZ3 4.17Å; F204-L689 HydrophobicContact CE2-CD1 4Å; F204-L689 HydrophobicContact CZ-CD1 3.98Å |
| 205 | L | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.5 | -46.3 | -176.9 | -67.9 | 173.8 | 0 | 0 | 0 | 112.4 | I178 I180 C200 G203 D207 L208 F209 L276 I279 I342 | I178-L205 HydrophobicContact CG2-CD2 4.47Å; I180-L205 HydrophobicContact CD1-CD1 4.24Å; C200-L205 WeakPolarHBondContact O-CG 3.31Å; C200-L205 PolarHBondContact O-N 2.82Å; G203-L205 PolarHBondContact O-N 2.83Å; L205-D207 VanDerWaalsContact C-N 3.34Å; L205-D207 PolarHBondContact O-N 3.26Å; L205-L208 PolarHBondContact O-N 3.27Å; L205-F209 HydrophobicContact CB-CE2 4.2Å; L205-F209 HydrophobicContact CD2-CZ 4.36Å; L205-F209 WeakPolarHBondContact O-CB 3.45Å; L205-F209 VanDerWaalsContact O-CD2 3.29Å; L205-F209 WeakPolarHBondContact O-CD2 2.88Å; L205-F209 WeakPolarHBondContact O-CG 3.21Å; L205-F209 PolarHBondContact O-N 3.04Å; L205-L276 HydrophobicContact CB-CD2 3.84Å; L205-I279 HydrophobicContact CD1-CD1 3.96Å; L205-I279 HydrophobicContact CD1-CG2 4.3Å; L205-I342 HydrophobicContact CD2-CD1 3.95Å |
| 206 | P | 95.9 | Very high | 94.5 | Very high | 26 Ų | 26 | 45 Ų | 45 | 17% | 0.169 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -54.8 | -44.3 | 170.6 | -28.7 | 32.7 | 0 | 0 | 0 | 114 | I201 G203 F209 K210 L276 | I201-P206 WeakPolarHBondContact O-CD 3.42Å; I201-P206 WeakPolarHBondContact O-CG 3.37Å; G203-P206 VanDerWaalsContact O-CD 3.24Å; G203-P206 WeakPolarHBondContact O-CD 3.4Å; P206-F209 PolarHBondContact O-N 2.83Å; P206-K210 VanDerWaalsContact O-CB 3.26Å; P206-K210 WeakPolarHBondContact O-CB 3.31Å; P206-K210 PolarHBondContact O-N 3.1Å; P206-L276 HydrophobicContact CG-CD1 4.01Å; P206-L276 HydrophobicContact CG-CD2 4.36Å |
| 207 | D | 96 | Very high | 94.5 | Very high | 53 Ų | 53 | 44.2 Ų | 44.2 | 28% | 0.283 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.4 | -42.1 | 179.8 | -73.3 | -21.1 | 0 | 0 | 0 | 111.6 | G203 F204 L205 K210 K211 Y422 W686 | G203-D207 PolarHBondContact O-N 3.02Å; G203-D207 VanDerWaalsContact O-N 3.08Å; F204-D207 PolarHBondContact O-N 3.08Å; L205-D207 VanDerWaalsContact C-N 3.34Å; L205-D207 PolarHBondContact O-N 3.26Å; D207-K210 PolarHBondContact O-N 3.41Å; D207-K211 WeakPolarHBondContact O-CG 3.45Å; D207-K211 PolarHBondContact O-N 3.4Å; D207-Y422 WeakPolarHBondContact OD2-CE2 3.48Å; D207-Y422 PolarHBondContact OD2-OH 2.9Å; D207-W686 HydrophobicContact CB-CH2 3.85Å |
| 208 | L | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.6 | -52.2 | 174.3 | 178.3 | 63.2 | 0 | 0 | 0 | 111.1 | I178 F204 L205 K210 K211 W212 W686 L689 | I178-L208 HydrophobicContact CD1-CD2 4.21Å; F204-L208 HydrophobicContact CE1-CD2 4.08Å; F204-L208 HydrophobicContact CZ-CD2 4.2Å; F204-L208 WeakPolarHBondContact O-CB 3.49Å; F204-L208 PolarHBondContact O-N 2.94Å; L205-L208 PolarHBondContact O-N 3.27Å; L208-K210 VanDerWaalsContact C-N 3.31Å; L208-K210 PolarHBondContact O-N 2.92Å; L208-K211 PolarHBondContact O-N 2.92Å; L208-K211 VanDerWaalsContact O-N 3.17Å; L208-W212 HydrophobicContact CD1-CZ2 4.22Å; L208-W212 HydrophobicContact CD2-CH2 4.41Å; L208-W212 HydrophobicContact CD2-CZ2 4.05Å; L208-W212 HydrophobicContact CG-CD2 4.42Å; L208-W212 HydrophobicContact CG-CZ2 4.13Å; L208-W212 PolarHBondContact O-N 3.02Å; L208-W686 HydrophobicContact CB-CZ3 4.36Å; L208-L689 HydrophobicContact CD1-CB 3.88Å; L208-L689 HydrophobicContact CD1-CD1 4.45Å |
| 209 | F | 96.4 | Very high | 94.4 | Very high | 8 Ų | 8 | 40.1 Ų | 40.1 | 4% | 0.035 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.3 | -34.8 | -179 | -62.9 | -24 | 0 | 0 | 0 | 112.6 | I178 L205 P206 W212 K213 I223 W272 L276 | I178-F209 HydrophobicContact CD1-CE1 4.43Å; L205-F209 HydrophobicContact CB-CE2 4.2Å; L205-F209 HydrophobicContact CD2-CZ 4.36Å; L205-F209 WeakPolarHBondContact O-CB 3.45Å; L205-F209 VanDerWaalsContact O-CD2 3.29Å; L205-F209 WeakPolarHBondContact O-CD2 2.88Å; L205-F209 WeakPolarHBondContact O-CG 3.21Å; L205-F209 PolarHBondContact O-N 3.04Å; P206-F209 PolarHBondContact O-N 2.83Å; F209-W212 HydrophobicContact CD1-CD2 4.41Å; F209-W212 AromaticContact CD1-CE3 3.66Å; F209-W212 HydrophobicContact CD1-CE3 3.66Å; F209-W212 AromaticContact CD1-CZ3 3.7Å; F209-W212 HydrophobicContact CD1-CZ3 3.7Å; F209-W212 HydrophobicContact CE1-CE3 4.11Å; F209-W212 HydrophobicContact CE1-CH2 4.24Å; F209-W212 AromaticContact CE1-CZ3 3.64Å; F209-W212 HydrophobicContact CE1-CZ3 3.64Å; F209-W212 PolarHBondContact O-N 2.97Å; F209-K213 PolarHBondContact O-N 3.05Å; F209-I223 HydrophobicContact CZ-CD1 4.44Å; F209-W272 HydrophobicContact CB-CB 3.99Å; F209-W272 HydrophobicContact CD1-CB 3.76Å; F209-W272 HydrophobicContact CD1-CG 4.06Å; F209-W272 HydrophobicContact CD2-CB 3.65Å; F209-W272 HydrophobicContact CE1-CB 4.11Å; F209-W272 HydrophobicContact CE1-CD2 4.45Å; F209-W272 HydrophobicContact CE1-CG 4.26Å; F209-W272 HydrophobicContact CE2-CB 4Å; F209-W272 HydrophobicContact CG-CB 3.52Å; F209-W272 HydrophobicContact CG-CG 4.31Å; F209-W272 HydrophobicContact CZ-CB 4.23Å; F209-W272 HydrophobicContact CZ-CE3 4.47Å; F209-L276 HydrophobicContact CD2-CD1 4.44Å; F209-L276 HydrophobicContact CD2-CD2 3.99Å; F209-L276 HydrophobicContact CD2-CG 4.13Å; F209-L276 HydrophobicContact CE2-CD2 3.65Å; F209-L276 HydrophobicContact CE2-CG 4.03Å |
| 210 | K | 94.9 | Very high | 94.4 | Very high | 121 Ų | 121 | 40 Ų | 40 | 53% | 0.526 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.2 | -47 | 172.4 | -175.6 | -173.2 | 179.8 | -164.4 | 0 | 110.9 | P206 D207 L208 W212 K213 E214 | P206-K210 VanDerWaalsContact O-CB 3.26Å; P206-K210 WeakPolarHBondContact O-CB 3.31Å; P206-K210 PolarHBondContact O-N 3.1Å; D207-K210 PolarHBondContact O-N 3.41Å; L208-K210 VanDerWaalsContact C-N 3.31Å; L208-K210 PolarHBondContact O-N 2.92Å; K210-W212 PolarHBondContact O-N 3.17Å; K210-K213 WeakPolarHBondContact O-CB 3.37Å; K210-K213 PolarHBondContact O-N 3.43Å; K210-K213 VanDerWaalsContact O-N 3.16Å; K210-E214 WeakPolarHBondContact CE-OE1 2.97Å; K210-E214 IonicContact NZ-OE1 3.85Å; K210-E214 WeakPolarHBondContact O-CG 3.01Å; K210-E214 PolarHBondContact O-N 3.31Å |
| 211 | K | 95.1 | Very high | 94.3 | Very high | 59 Ų | 59 | 40 Ų | 40 | 26% | 0.257 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.7 | -37.9 | 178.5 | -72.7 | 166.9 | -176.5 | -79.3 | 0 | 112.5 | D207 L208 K213 E214 K215 W686 T690 | D207-K211 WeakPolarHBondContact O-CG 3.45Å; D207-K211 PolarHBondContact O-N 3.4Å; L208-K211 PolarHBondContact O-N 2.92Å; L208-K211 VanDerWaalsContact O-N 3.17Å; K211-K213 VanDerWaalsContact C-N 3.31Å; K211-K213 PolarHBondContact O-N 3.26Å; K211-E214 PolarHBondContact O-N 2.86Å; K211-K215 WeakPolarHBondContact O-CB 3.5Å; K211-K215 PolarHBondContact O-N 3.1Å; K211-W686 HydrophobicContact CD-CB 4.19Å; K211-W686 HydrophobicContact CD-CD2 3.38Å; K211-W686 HydrophobicContact CD-CE3 3.2Å; K211-W686 HydrophobicContact CD-CG 3.82Å; K211-W686 HydrophobicContact CD-CH2 4.31Å; K211-W686 HydrophobicContact CD-CZ2 4.47Å; K211-W686 HydrophobicContact CD-CZ3 3.71Å; K211-T690 HydrophobicContact CB-CG2 3.78Å |
| 212 | W | 95.9 | Very high | 94.3 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.1 | -44.1 | 170.9 | -74.7 | -6.8 | 0 | 0 | 0 | 111.7 | V176 I178 L208 F209 K210 K215 S216 C217 H219 V221 W272 L689 | V176-W212 HydrophobicContact CG1-CH2 4.46Å; V176-W212 HydrophobicContact CG1-CZ2 4.42Å; I178-W212 HydrophobicContact CD1-CH2 4.06Å; L208-W212 HydrophobicContact CD1-CZ2 4.22Å; L208-W212 HydrophobicContact CD2-CH2 4.41Å; L208-W212 HydrophobicContact CD2-CZ2 4.05Å; L208-W212 HydrophobicContact CG-CD2 4.42Å; L208-W212 HydrophobicContact CG-CZ2 4.13Å; L208-W212 PolarHBondContact O-N 3.02Å; F209-W212 HydrophobicContact CD1-CD2 4.41Å; F209-W212 AromaticContact CD1-CE3 3.66Å; F209-W212 HydrophobicContact CD1-CE3 3.66Å; F209-W212 AromaticContact CD1-CZ3 3.7Å; F209-W212 HydrophobicContact CD1-CZ3 3.7Å; F209-W212 HydrophobicContact CE1-CE3 4.11Å; F209-W212 HydrophobicContact CE1-CH2 4.24Å; F209-W212 AromaticContact CE1-CZ3 3.64Å; F209-W212 HydrophobicContact CE1-CZ3 3.64Å; F209-W212 PolarHBondContact O-N 2.97Å; K210-W212 PolarHBondContact O-N 3.17Å; W212-K215 CarbonylContact O-C 3.59Å; W212-K215 PolarHBondContact O-N 2.95Å; W212-S216 PolarHBondContact O-N 3.09Å; W212-C217 HydrophobicContact CB-CB 3.88Å; W212-C217 HydrophobicContact CG-CB 4.05Å; W212-C217 PolarHBondContact O-N 2.7Å; W212-H219 AromaticContact CD2-CD2 3.89Å; W212-H219 AromaticContact CE2-CD2 3.63Å; W212-H219 AromaticContact CZ2-CD2 3.96Å; W212-H219 AromaticContact NE1-CD2 3.76Å; W212-H219 AromaticContact NE1-NE2 3.86Å; W212-V221 HydrophobicContact CH2-CG1 4.27Å; W212-V221 HydrophobicContact CH2-CG2 3.65Å; W212-V221 HydrophobicContact CZ3-CG2 3.7Å; W212-W272 AromaticContact CE3-CD1 3.9Å; W212-W272 HydrophobicContact CE3-CG 4.37Å; W212-W272 AromaticContact CE3-NE1 3.95Å; W212-W272 HydrophobicContact CZ3-CD2 4.31Å; W212-W272 HydrophobicContact CZ3-CG 4.42Å; W212-L689 PolarHBondContact NE1-O 3.13Å |
| 213 | K | 94.2 | Very high | 94.5 | Very high | 132 Ų | 132 | 35.6 Ų | 35.6 | 57% | 0.574 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -63.1 | -46.1 | 175.7 | -170.7 | 172.4 | -174.7 | 166.7 | 0 | 112 | F209 K210 K211 K215 S216 D271 | F209-K213 PolarHBondContact O-N 3.05Å; K210-K213 WeakPolarHBondContact O-CB 3.37Å; K210-K213 PolarHBondContact O-N 3.43Å; K210-K213 VanDerWaalsContact O-N 3.16Å; K211-K213 VanDerWaalsContact C-N 3.31Å; K211-K213 PolarHBondContact O-N 3.26Å; K213-K215 VanDerWaalsContact C-N 3.33Å; K213-K215 PolarHBondContact O-N 3.25Å; K213-S216 PolarHBondContact O-N 2.97Å; K213-S216 VanDerWaalsContact O-N 3.11Å; K213-D271 IonicContact NZ-OD2 3.65Å |
| 214 | E | 94.2 | Very high | 94.7 | Very high | 121 Ų | 121 | 35.4 Ų | 35.4 | 57% | 0.565 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -60.2 | -39.8 | 177.6 | -71.6 | 169.6 | 178.7 | 0 | 0 | 112.5 | K210 K211 S216 | K210-E214 WeakPolarHBondContact CE-OE1 2.97Å; K210-E214 IonicContact NZ-OE1 3.85Å; K210-E214 WeakPolarHBondContact O-CG 3.01Å; K210-E214 PolarHBondContact O-N 3.31Å; K211-E214 PolarHBondContact O-N 2.86Å; E214-S216 VanDerWaalsContact C-N 3.3Å |
| 215 | K | 91.7 | Very high | 94.8 | Very high | 110 Ų | 110 | 35.4 Ų | 35.4 | 48% | 0.478 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 6 | 177.7 | -67 | -69.6 | -173.9 | 173 | 0 | 113.6 | N172 K211 W212 K213 C217 | N172-K215 PolarHBondContact ND2-O 2.79Å; K211-K215 WeakPolarHBondContact O-CB 3.5Å; K211-K215 PolarHBondContact O-N 3.1Å; W212-K215 CarbonylContact O-C 3.59Å; W212-K215 PolarHBondContact O-N 2.95Å; K213-K215 VanDerWaalsContact C-N 3.33Å; K213-K215 PolarHBondContact O-N 3.25Å; K215-C217 PolarHBondContact O-N 2.92Å |
| 216 | S | 91.8 | Very high | 94.8 | Very high | 74 Ų | 74 | 35.4 Ų | 35.4 | 52% | 0.517 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 36.6 | -178.1 | -60.5 | 0 | 0 | 0 | 0 | 113.2 | K110 W212 K213 E214 | K110-S216 WeakPolarHBondContact CD-O 3.38Å; K110-S216 WeakPolarHBondContact CE-O 3.44Å; K110-S216 PolarHBondContact NZ-O 2.8Å; W212-S216 PolarHBondContact O-N 3.09Å; K213-S216 PolarHBondContact O-N 2.97Å; K213-S216 VanDerWaalsContact O-N 3.11Å; E214-S216 VanDerWaalsContact C-N 3.3Å |
| 217 | C | 93.7 | Very high | 94.9 | Very high | 16 Ų | 16 | 34.2 Ų | 34.2 | 11% | 0.108 | 17% | 0.166 | C | C | . | . | trans | -66.8 | 151.8 | 177 | -63.3 | 0 | 0 | 0 | 0 | 111.2 | W212 K215 H219 T690 | W212-C217 HydrophobicContact CB-CB 3.88Å; W212-C217 HydrophobicContact CG-CB 4.05Å; W212-C217 PolarHBondContact O-N 2.7Å; K215-C217 PolarHBondContact O-N 2.92Å; C217-H219 WeakPolarHBondContact CB-NE2 3.45Å; C217-T690 PolarHBondContact SG-O 3.46Å | ||
| 218 | S | 92.2 | Very high | 95 | Very high | 9 Ų | 9 | 32.5 Ų | 32.5 | 6% | 0.063 | 16% | 0.155 | C | C | . | . | trans | -146.1 | 53.7 | -173.4 | 179.9 | 0 | 0 | 0 | 0 | 109.5 | N172 S173 Q268 | N172-S218 PolarHBondContact O-N 2.72Å; S173-S218 WeakPolarHBondContact CA-O 3.31Å; S173-S218 PolarHBondContact OG-O 2.76Å; S218-Q268 PolarHBondContact OG-NE2 2.96Å | ||
| 219 | H | 94 | Very high | 95 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | trans | -73.7 | 150.9 | -179.4 | -58.3 | -66.2 | 0 | 0 | 0 | 111.6 | A174 V176 W212 C217 V221 T690 | A174-H219 PolarHBondContact N-ND1 3.26Å; A174-H219 WeakPolarHBondContact O-CA 3.18Å; V176-H219 HydrophobicContact CG2-CB 3.73Å; W212-H219 AromaticContact CD2-CD2 3.89Å; W212-H219 AromaticContact CE2-CD2 3.63Å; W212-H219 AromaticContact CZ2-CD2 3.96Å; W212-H219 AromaticContact NE1-CD2 3.76Å; W212-H219 AromaticContact NE1-NE2 3.86Å; C217-H219 WeakPolarHBondContact CB-NE2 3.45Å; H219-V221 HydrophobicContact CB-CG2 3.87Å; H219-T690 PolarHBondContact CE1-O 2.95Å; H219-T690 PolarHBondContact NE2-O 3.35Å; H219-T690 VanDerWaalsContact NE2-O 3.07Å | ||
| 220 | F | 92.3 | Very high | 95 | Very high | 9 Ų | 9 | 34.2 Ų | 34.2 | 4% | 0.039 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 116.7 | 165.7 | -71.2 | -101.7 | 0 | 0 | 0 | 107.5 | A174 L175 V176 E267 Q268 E333 R334 | A174-F220 PolarHBondContact O-N 3.03Å; L175-F220 CarbonylContact C-O 3.55Å; L175-F220 WeakPolarHBondContact CA-O 3.14Å; L175-F220 HydrophobicContact CD1-CB 4.11Å; V176-F220 PolarHBondContact N-O 3.04Å; F220-E267 CarbonylContact C-O 3.6Å; F220-E267 WeakPolarHBondContact CA-O 3.21Å; F220-Q268 HydrophobicContact CD1-CB 4.15Å; F220-Q268 HydrophobicContact CE1-CB 4.2Å; F220-E333 HydrophobicContact CE2-CB 4.22Å; F220-E333 HydrophobicContact CZ-CB 4.13Å; F220-R334 VanDerWaalsContact CB-NH1 3.35Å; F220-R334 HydrophobicContact CD2-CB 3.97Å; F220-R334 HydrophobicContact CD2-CG 4.3Å; F220-R334 HydrophobicContact CE2-CB 3.98Å; F220-R334 HydrophobicContact CE2-CG 4.39Å |
| 221 | V | 94.3 | Very high | 95 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 134.9 | -167 | -167.9 | 0 | 0 | 0 | 0 | 111.2 | V176 I178 W212 H219 I223 N266 E267 W272 | V176-V221 HydrophobicContact CB-CG1 4.47Å; V176-V221 HydrophobicContact CB-CG2 4.31Å; V176-V221 CarbonylContact O-C 3.6Å; V176-V221 VanDerWaalsContact O-CA 3.27Å; V176-V221 WeakPolarHBondContact O-CA 3.07Å; I178-V221 HydrophobicContact CD1-CG1 3.76Å; I178-V221 HydrophobicContact CG1-CG1 3.95Å; W212-V221 HydrophobicContact CH2-CG1 4.27Å; W212-V221 HydrophobicContact CH2-CG2 3.65Å; W212-V221 HydrophobicContact CZ3-CG2 3.7Å; H219-V221 HydrophobicContact CB-CG2 3.87Å; V221-I223 HydrophobicContact CG1-CG1 3.99Å; V221-N266 PolarHBondContact O-N 2.8Å; V221-E267 PolarHBondContact N-O 3Å; V221-E267 PolarHBondContact O-N 2.92Å; V221-E267 VanDerWaalsContact O-N 3.13Å; V221-W272 HydrophobicContact CB-CH2 3.39Å; V221-W272 HydrophobicContact CB-CZ2 3.78Å; V221-W272 HydrophobicContact CB-CZ3 3.98Å; V221-W272 HydrophobicContact CG1-CH2 4.36Å; V221-W272 HydrophobicContact CG2-CH2 3.6Å; V221-W272 HydrophobicContact CG2-CZ2 3.39Å; V221-W272 HydrophobicContact CG2-CZ3 4.37Å |
| 222 | S | 94.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 133.4 | 164.1 | -64.9 | 0 | 0 | 0 | 0 | 109.5 | V176 I178 V264 H265 N266 | V176-S222 PolarHBondContact O-N 3.12Å; I178-S222 PolarHBondContact N-O 3.32Å; S222-V264 CarbonylContact C-O 3.57Å; S222-V264 VanDerWaalsContact CA-O 3.23Å; S222-V264 WeakPolarHBondContact CA-O 3.46Å; S222-H265 PolarHBondContact OG-ND1 2.79Å; S222-H265 VanDerWaalsContact OG-ND1 3.08Å; S222-N266 PolarHBondContact OG-N 3.09Å |
| 223 | I | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 119.6 | 179.4 | -52.9 | -178 | 0 | 0 | 0 | 108.7 | I178 I180 F209 V221 I263 V264 V275 I279 | I178-I223 HydrophobicContact CB-CG1 4.32Å; I178-I223 HydrophobicContact CD1-CG1 4.42Å; I178-I223 WeakPolarHBondContact O-CA 3.18Å; I180-I223 HydrophobicContact CD1-CG2 4.22Å; F209-I223 HydrophobicContact CZ-CD1 4.44Å; V221-I223 HydrophobicContact CG1-CG1 3.99Å; I223-I263 HydrophobicContact CG2-CD1 4.13Å; I223-I263 PolarHBondContact O-N 2.99Å; I223-V264 PolarHBondContact N-O 3.1Å; I223-V275 HydrophobicContact CD1-CG1 3.96Å; I223-I279 HydrophobicContact CD1-CD1 3.77Å; I223-I279 HydrophobicContact CD1-CG1 4.49Å; I223-I279 HydrophobicContact CG2-CD1 4.45Å |
| 224 | V | 96.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 129.7 | -174.1 | -166.4 | 0 | 0 | 0 | 0 | 109.9 | I178 M179 I180 Y260 H261 L262 F1155 | I178-V224 PolarHBondContact O-N 3.01Å; M179-V224 CarbonylContact C-O 3.57Å; M179-V224 WeakPolarHBondContact CA-O 3.2Å; M179-V224 HydrophobicContact CE-CB 3.57Å; M179-V224 HydrophobicContact CE-CG1 3.84Å; M179-V224 HydrophobicContact CE-CG2 3.9Å; M179-V224 HydrophobicContact SD-CB 3.63Å; M179-V224 HydrophobicContact SD-CG2 3.61Å; I180-V224 PolarHBondContact N-O 2.94Å; V224-Y260 HydrophobicContact CG1-CD1 3.91Å; V224-H261 WeakPolarHBondContact CA-O 3.39Å; V224-L262 HydrophobicContact CG2-CD1 3.69Å; V224-F1155 HydrophobicContact CG1-CD1 4.48Å; V224-F1155 HydrophobicContact CG1-CE1 3.8Å; V224-F1155 HydrophobicContact CG1-CZ 4.19Å; V224-F1155 HydrophobicContact CG2-CD1 4.46Å; V224-F1155 HydrophobicContact CG2-CE1 4.16Å; V224-F1155 HydrophobicContact CG2-CE2 4.38Å; V224-F1155 HydrophobicContact CG2-CZ 4.11Å |
| 225 | L | 97.9 | Very high | 94 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 140.4 | 167.1 | -48.7 | -176 | 0 | 0 | 0 | 108.9 | I180 M182 Y260 H261 I263 A282 F283 Y286 | I180-L225 HydrophobicContact CB-CD2 3.76Å; I180-L225 HydrophobicContact CD1-CD2 3.98Å; I180-L225 HydrophobicContact CG1-CD2 4.17Å; I180-L225 HydrophobicContact CG2-CD2 4.37Å; I180-L225 WeakPolarHBondContact O-CA 3.5Å; M182-L225 HydrophobicContact CG-CB 3.81Å; M182-L225 HydrophobicContact CG-CD1 4.37Å; M182-L225 HydrophobicContact CG-CD2 4.45Å; M182-L225 HydrophobicContact CG-CG 4.43Å; M182-L225 HydrophobicContact SD-CD1 4.48Å; M182-L225 HydrophobicContact SD-CD2 4.3Å; L225-Y260 CarbonylContact O-C 3.53Å; L225-Y260 VanDerWaalsContact O-CA 3.28Å; L225-Y260 WeakPolarHBondContact O-CA 3.21Å; L225-H261 HydrophobicContact CB-CB 4.22Å; L225-H261 PolarHBondContact N-O 3.24Å; L225-H261 PolarHBondContact O-N 2.86Å; L225-I263 HydrophobicContact CD1-CD1 4.04Å; L225-I263 HydrophobicContact CD2-CD1 3.86Å; L225-I263 HydrophobicContact CG-CD1 3.79Å; L225-I263 HydrophobicContact CG-CG1 4.3Å; L225-A282 HydrophobicContact CD1-CB 4.05Å; L225-F283 HydrophobicContact CD1-CD2 4.06Å; L225-F283 HydrophobicContact CD1-CE2 4.34Å; L225-F283 HydrophobicContact CD2-CD2 4.19Å; L225-F283 HydrophobicContact CD2-CE2 3.63Å; L225-F283 HydrophobicContact CD2-CZ 4.46Å; L225-Y286 HydrophobicContact CB-CD2 4.11Å; L225-Y286 HydrophobicContact CB-CE2 3.64Å; L225-Y286 HydrophobicContact CD1-CD2 3.68Å; L225-Y286 HydrophobicContact CD1-CE2 4.11Å; L225-Y286 HydrophobicContact CD1-CG 4.34Å |
| 226 | F | 98 | Very high | 93.9 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 149.8 | 178.1 | 70.8 | -85.6 | 0 | 0 | 0 | 113 | M179 I180 Q181 M182 F259 Y260 N311 T315 V341 | M179-F226 HydrophobicContact CB-CD1 4.13Å; M179-F226 HydrophobicContact CB-CE1 3.85Å; I180-F226 VanDerWaalsContact C-CE1 3.42Å; I180-F226 VanDerWaalsContact O-CD1 3.27Å; I180-F226 WeakPolarHBondContact O-CD1 3.47Å; I180-F226 PolarHBondContact O-N 2.85Å; Q181-F226 HydrophobicContact CB-CE1 3.85Å; Q181-F226 HydrophobicContact CB-CE2 3.86Å; Q181-F226 HydrophobicContact CB-CZ 3.42Å; Q181-F226 VanDerWaalsContact CB-CZ 3.42Å; Q181-F226 HydrophobicContact CG-CD2 4.35Å; Q181-F226 HydrophobicContact CG-CE2 3.63Å; Q181-F226 HydrophobicContact CG-CZ 3.75Å; Q181-F226 VanDerWaalsContact N-CE1 3.34Å; M182-F226 PolarHBondContact N-O 2.77Å; F226-F259 CarbonylContact C-O 3.55Å; F226-F259 VanDerWaalsContact CA-O 3.23Å; F226-F259 WeakPolarHBondContact CA-O 3.22Å; F226-Y260 HydrophobicContact CB-CD1 3.6Å; F226-Y260 HydrophobicContact CB-CE1 3.6Å; F226-Y260 HydrophobicContact CB-CG 4.38Å; F226-Y260 HydrophobicContact CG-CE1 4.39Å; F226-N311 WeakPolarHBondContact CD2-OD1 3.42Å; F226-T315 HydrophobicContact CD1-CG2 3.76Å; F226-T315 HydrophobicContact CD2-CG2 4.23Å; F226-T315 WeakPolarHBondContact CD2-OG1 3.35Å; F226-T315 HydrophobicContact CE1-CG2 3.83Å; F226-T315 HydrophobicContact CE2-CG2 4.27Å; F226-T315 HydrophobicContact CG-CG2 3.96Å; F226-T315 HydrophobicContact CZ-CG2 4.07Å; F226-V341 HydrophobicContact CE1-CG1 4.25Å; F226-V341 HydrophobicContact CZ-CG1 4.09Å |
| 227 | S | 97.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.007 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 152.3 | 176.6 | 58.1 | 0 | 0 | 0 | 0 | 112.3 | W229 F259 Y286 | S227-W229 PolarHBondContact OG-NE1 3.31Å; S227-W229 VanDerWaalsContact OG-NE1 3.13Å; S227-F259 PolarHBondContact N-O 3.3Å; S227-F259 PolarHBondContact O-N 2.9Å; S227-Y286 PolarHBondContact N-OH 3Å; S227-Y286 WeakPolarHBondContact OG-CE1 3.3Å; S227-Y286 PolarHBondContact OG-OH 3.32Å |
| 228 | R | 97.6 | Very high | 93.4 | Very high | 17 Ų | 17 | 29 Ų | 29 | 6% | 0.064 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 135 | 171.4 | 175.8 | 164.8 | -70.6 | 168.6 | -5.3 | 111.1 | F230 Y256 D258 N304 S305 N311 E314 | R228-F230 HydrophobicContact CG-CE2 4.04Å; R228-F230 HydrophobicContact CG-CZ 4.02Å; R228-Y256 HydrophobicContact CG-CD2 3.91Å; R228-Y256 HydrophobicContact CG-CG 4.17Å; R228-Y256 VanDerWaalsContact CZ-CE2 3.45Å; R228-Y256 VanDerWaalsContact NE-CE2 3.32Å; R228-D258 WeakPolarHBondContact CB-OD1 3.5Å; R228-D258 WeakPolarHBondContact CG-OD1 3.47Å; R228-D258 IonicContact CZ-OD1 2.79Å; R228-D258 IonicContact CZ-OD2 2.79Å; R228-D258 IonicContact NE-OD1 2.75Å; R228-D258 PolarHBondContact NE-OD1 2.8Å; R228-D258 IonicContact NE-OD2 3.98Å; R228-D258 IonicContact NH2-OD1 3.16Å; R228-D258 PolarHBondContact NH2-OD1 2.81Å; R228-D258 IonicContact NH2-OD2 2.64Å; R228-D258 PolarHBondContact NH2-OD2 3.4Å; R228-N304 PolarHBondContact O-OD1 3.36Å; R228-N304 VanDerWaalsContact O-OD1 3.14Å; R228-S305 WeakPolarHBondContact O-CB 3.49Å; R228-S305 PolarHBondContact O-N 3.43Å; R228-N311 PolarHBondContact N-OD1 2.68Å; R228-E314 IonicContact CZ-OE1 3.78Å; R228-E314 IonicContact NH1-OE1 3.45Å; R228-E314 IonicContact NH2-OE1 3.55Å; R228-E314 PolarHBondContact NH2-OE1 3.39Å |
| 229 | W | 97.2 | Very high | 93.1 | Very high | 15 Ų | 15 | 29 Ų | 29 | 6% | 0.057 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 132.4 | 177.8 | -72 | 70.1 | 0 | 0 | 0 | 110.7 | S227 Y231 Y256 Q257 F259 R287 I290 I294 A302 K303 N304 | S227-W229 PolarHBondContact OG-NE1 3.31Å; S227-W229 VanDerWaalsContact OG-NE1 3.13Å; W229-Y231 WeakPolarHBondContact O-CE2 3.34Å; W229-Y256 CarbonylContact O-C 3.57Å; W229-Y256 WeakPolarHBondContact O-CA 3.18Å; W229-Y256 VanDerWaalsContact O-CB 3.31Å; W229-Y256 WeakPolarHBondContact O-CB 3.5Å; W229-Q257 PolarHBondContact N-O 3.28Å; W229-Q257 PolarHBondContact O-N 3.39Å; W229-F259 HydrophobicContact CB-CD2 4.39Å; W229-F259 HydrophobicContact CB-CE2 4.05Å; W229-F259 AromaticContact CD1-CD2 3.64Å; W229-F259 HydrophobicContact CG-CD2 4.2Å; W229-F259 HydrophobicContact CG-CE2 4.15Å; W229-R287 HydrophobicContact CH2-CG 4.22Å; W229-I290 HydrophobicContact CD2-CG2 3.92Å; W229-I290 HydrophobicContact CE3-CG2 4.44Å; W229-I290 HydrophobicContact CG-CG2 4.29Å; W229-I290 HydrophobicContact CH2-CG2 4.42Å; W229-I290 HydrophobicContact CZ2-CB 4.3Å; W229-I290 HydrophobicContact CZ2-CD1 4.31Å; W229-I290 HydrophobicContact CZ2-CG2 3.91Å; W229-I294 HydrophobicContact CD2-CD1 4.26Å; W229-I294 HydrophobicContact CE3-CD1 3.91Å; W229-I294 HydrophobicContact CZ3-CD1 4.44Å; W229-A302 HydrophobicContact CE3-CB 3.86Å; W229-A302 HydrophobicContact CZ3-CB 4.41Å; W229-K303 CarbonylContact C-O 3.59Å; W229-K303 WeakPolarHBondContact CA-O 3.37Å; W229-N304 HydrophobicContact CD2-CB 4.17Å; W229-N304 HydrophobicContact CE3-CB 4.34Å; W229-N304 HydrophobicContact CH2-CB 4.16Å; W229-N304 HydrophobicContact CZ2-CB 3.96Å; W229-N304 HydrophobicContact CZ3-CB 4.34Å |
| 230 | F | 96.3 | Very high | 92.7 | Very high | 28 Ų | 28 | 32.1 Ų | 32.1 | 12% | 0.123 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 148.2 | -179 | -67 | -80.1 | 0 | 0 | 0 | 112.2 | R228 E254 M255 Y256 A302 K303 | R228-F230 HydrophobicContact CG-CE2 4.04Å; R228-F230 HydrophobicContact CG-CZ 4.02Å; F230-E254 HydrophobicContact CD1-CB 3.87Å; F230-E254 HydrophobicContact CE1-CB 3.93Å; F230-M255 WeakPolarHBondContact CA-O 3.42Å; F230-Y256 HydrophobicContact CE1-CG 4.48Å; F230-A302 WeakPolarHBondContact O-CA 3.34Å; F230-K303 PolarHBondContact N-O 3.02Å; F230-K303 PolarHBondContact O-N 3.36Å |
| 231 | Y | 95 | Very high | 92.4 | Very high | 15 Ų | 15 | 38 Ų | 38 | 6% | 0.059 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 151.7 | -179.3 | -51.4 | -78.6 | 0 | 0 | 0 | 110.6 | W229 V247 M255 Q257 I294 L299 A302 | W229-Y231 WeakPolarHBondContact O-CE2 3.34Å; Y231-V247 HydrophobicContact CD2-CG1 4.37Å; Y231-M255 PolarHBondContact N-O 3.45Å; Y231-Q257 HydrophobicContact CE2-CB 3.79Å; Y231-Q257 HydrophobicContact CE2-CG 3.68Å; Y231-Q257 PolarHBondContact OH-OE1 3.38Å; Y231-Q257 VanDerWaalsContact OH-OE1 3.08Å; Y231-I294 HydrophobicContact CE1-CD1 4.12Å; Y231-I294 HydrophobicContact CE1-CG1 4.29Å; Y231-I294 HydrophobicContact CE1-CG2 4.28Å; Y231-L299 HydrophobicContact CD1-CB 3.9Å; Y231-L299 WeakPolarHBondContact CD1-O 3.41Å; Y231-L299 HydrophobicContact CE1-CB 3.73Å; Y231-L299 HydrophobicContact CE1-CD1 4.13Å; Y231-L299 HydrophobicContact CE2-CD1 4.5Å; Y231-A302 HydrophobicContact CD1-CB 3.79Å; Y231-A302 HydrophobicContact CE1-CB 3.53Å |
| 232 | T | 92.5 | Very high | 91.8 | Very high | 61 Ų | 61 | 45.3 Ų | 45.3 | 37% | 0.374 | 24% | 0.242 | S | C | . | . | trans | -80.4 | 153 | 171.4 | 82.1 | 0 | 0 | 0 | 0 | 110.5 | E234 T235 V236 | T232-E234 WeakPolarHBondContact CB-OE2 3.48Å; T232-E234 PolarHBondContact O-N 3.12Å; T232-E234 PolarHBondContact OG1-OE2 3.07Å; T232-T235 PolarHBondContact O-N 2.86Å; T232-T235 PolarHBondContact OG1-N 3.32Å; T232-T235 PolarHBondContact OG1-OG1 3.05Å; T232-T235 VanDerWaalsContact OG1-OG1 3.05Å; T232-V236 PolarHBondContact O-N 3.17Å; T232-V236 VanDerWaalsContact O-N 3.17Å | ||
| 233 | Q | 88.1 | Confident | 91.3 | Very high | 124 Ų | 124 | 46.1 Ų | 46.1 | 58% | 0.579 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -63 | -33.5 | -177.9 | -166.6 | 173.3 | 13.4 | 0 | 0 | 111.9 | N237 | Q233-N237 WeakPolarHBondContact O-CB 3.32Å; Q233-N237 PolarHBondContact O-N 3.08Å; Q233-N237 PolarHBondContact O-ND2 2.89Å |
| 234 | E | 88.9 | Confident | 90.7 | Very high | 135 Ų | 135 | 51 Ų | 51 | 63% | 0.631 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -61.5 | -45.2 | 176.2 | -57.2 | 76.6 | -163.5 | 0 | 0 | 111.5 | T232 N237 A238 | T232-E234 WeakPolarHBondContact CB-OE2 3.48Å; T232-E234 PolarHBondContact O-N 3.12Å; T232-E234 PolarHBondContact OG1-OE2 3.07Å; E234-N237 CarbonylContact O-C 3.54Å; E234-N237 PolarHBondContact O-N 3.4Å; E234-A238 WeakPolarHBondContact O-CB 3.14Å; E234-A238 PolarHBondContact O-N 3.04Å |
| 235 | T | 88.8 | Confident | 90.1 | Very high | 16 Ų | 16 | 58.1 Ų | 58.1 | 10% | 0.098 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.9 | -45.6 | -179.4 | -56.4 | 0 | 0 | 0 | 0 | 111.3 | T232 N237 A238 S239 L299 S300 | T232-T235 PolarHBondContact O-N 2.86Å; T232-T235 PolarHBondContact OG1-N 3.32Å; T232-T235 PolarHBondContact OG1-OG1 3.05Å; T232-T235 VanDerWaalsContact OG1-OG1 3.05Å; T235-N237 VanDerWaalsContact C-N 3.34Å; T235-N237 PolarHBondContact O-N 3.18Å; T235-A238 PolarHBondContact O-N 3.3Å; T235-A238 VanDerWaalsContact O-N 3.16Å; T235-S239 PolarHBondContact O-N 3.11Å; T235-S239 VanDerWaalsContact O-N 3.16Å; T235-L299 HydrophobicContact CG2-CD2 4.48Å; T235-L299 VanDerWaalsContact CG2-O 3.28Å; T235-L299 WeakPolarHBondContact CG2-O 3.42Å; T235-S300 WeakPolarHBondContact CG2-O 3.35Å |
| 236 | V | 87.8 | Confident | 89.4 | Confident | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.024 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 175.8 | 179.7 | 0 | 0 | 0 | 0 | 110.3 | T232 A238 S239 R244 V247 M255 L299 | T232-V236 PolarHBondContact O-N 3.17Å; T232-V236 VanDerWaalsContact O-N 3.17Å; V236-A238 PolarHBondContact O-N 3.24Å; V236-S239 PolarHBondContact O-N 3.34Å; V236-S239 VanDerWaalsContact O-N 3.13Å; V236-S239 PolarHBondContact O-OG 3.03Å; V236-R244 HydrophobicContact CG1-CG 4.01Å; V236-R244 WeakPolarHBondContact O-CD 3.35Å; V236-R244 VanDerWaalsContact O-CG 3.32Å; V236-R244 WeakPolarHBondContact O-CG 3.46Å; V236-R244 PolarHBondContact O-NE 2.91Å; V236-V247 HydrophobicContact CG1-CG1 4.43Å; V236-V247 HydrophobicContact CG2-CG1 4.11Å; V236-M255 HydrophobicContact CG2-CB 4.04Å; V236-M255 HydrophobicContact CG2-CG 4.27Å; V236-L299 HydrophobicContact CG2-CD2 4.39Å |
| 237 | N | 87.6 | Confident | 89.1 | Confident | 90 Ų | 90 | 61.9 Ų | 61.9 | 48% | 0.481 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.1 | -13.1 | 177.3 | -74.1 | -19.1 | 0 | 0 | 0 | 114.6 | Q233 E234 T235 R244 | Q233-N237 WeakPolarHBondContact O-CB 3.32Å; Q233-N237 PolarHBondContact O-N 3.08Å; Q233-N237 PolarHBondContact O-ND2 2.89Å; E234-N237 CarbonylContact O-C 3.54Å; E234-N237 PolarHBondContact O-N 3.4Å; T235-N237 VanDerWaalsContact C-N 3.34Å; T235-N237 PolarHBondContact O-N 3.18Å; N237-R244 PolarHBondContact O-NH1 2.68Å; N237-R244 PolarHBondContact O-NH2 2.83Å |
| 238 | A | 87.6 | Confident | 88.8 | Confident | 84 Ų | 84 | 63.6 Ų | 63.6 | 69% | 0.694 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -91.2 | -24.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E234 T235 V236 | E234-A238 WeakPolarHBondContact O-CB 3.14Å; E234-A238 PolarHBondContact O-N 3.04Å; T235-A238 PolarHBondContact O-N 3.3Å; T235-A238 VanDerWaalsContact O-N 3.16Å; V236-A238 PolarHBondContact O-N 3.24Å |
| 239 | S | 85.8 | Confident | 88.4 | Confident | 8 Ų | 8 | 66.4 Ų | 66.4 | 6% | 0.056 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -70.3 | 166.4 | -177.8 | 74.9 | 0 | 0 | 0 | 0 | 113.8 | T235 V236 R244 | T235-S239 PolarHBondContact O-N 3.11Å; T235-S239 VanDerWaalsContact O-N 3.16Å; V236-S239 PolarHBondContact O-N 3.34Å; V236-S239 VanDerWaalsContact O-N 3.13Å; V236-S239 PolarHBondContact O-OG 3.03Å; S239-R244 VanDerWaalsContact O-CZ 3.25Å; S239-R244 PolarHBondContact O-NE 3.31Å; S239-R244 PolarHBondContact O-NH2 3.33Å; S239-R244 VanDerWaalsContact OG-CG 3.23Å; S239-R244 WeakPolarHBondContact OG-CG 3.23Å |
| 240 | S | 87.2 | Confident | 87.8 | Confident | 67 Ų | 67 | 67 Ų | 67 | 47% | 0.469 | 35% | 0.35 | S | S | . | . | trans | -66.9 | 153.2 | 177.8 | 74.9 | 0 | 0 | 0 | 0 | 112.1 | M242 V243 R244 | S240-M242 PolarHBondContact O-N 3.45Å; S240-V243 PolarHBondContact O-N 3.3Å; S240-V243 WeakPolarHBondContact OG-CG2 3.23Å; S240-V243 PolarHBondContact OG-N 3.02Å; S240-R244 WeakPolarHBondContact O-CG 3.32Å; S240-R244 PolarHBondContact O-N 3.46Å | ||
| 241 | E | 85.8 | Confident | 86.8 | Confident | 133 Ų | 133 | 69.8 Ų | 69.8 | 62% | 0.621 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -57 | -36.2 | 179.9 | -169.1 | -171.1 | 149.4 | 0 | 0 | 112.6 | V243 R244 K245 | E241-V243 VanDerWaalsContact C-N 3.34Å; E241-V243 PolarHBondContact O-N 3.1Å; E241-R244 PolarHBondContact O-N 2.83Å; E241-K245 WeakPolarHBondContact O-CG 3.32Å; E241-K245 PolarHBondContact O-N 3.38Å; E241-K245 VanDerWaalsContact OE1-CE 3.25Å; E241-K245 WeakPolarHBondContact OE1-CE 3.43Å; E241-K245 IonicContact OE1-NZ 2.85Å; E241-K245 PolarHBondContact OE1-NZ 3.49Å |
| 242 | M | 80.6 | Confident | 86.1 | Confident | 153 Ų | 153 | 73.9 Ų | 73.9 | 75% | 0.754 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63.8 | -39.5 | 177.8 | -169.3 | 173.3 | -175.9 | 0 | 0 | 111.9 | S240 | S240-M242 PolarHBondContact O-N 3.45Å |
| 243 | V | 83.7 | Confident | 85.6 | Confident | 18 Ų | 18 | 73 Ų | 73 | 11% | 0.109 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -70.7 | -42.5 | 176.7 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | S240 E241 K245 L246 V247 V297 L299 | S240-V243 PolarHBondContact O-N 3.3Å; S240-V243 WeakPolarHBondContact OG-CG2 3.23Å; S240-V243 PolarHBondContact OG-N 3.02Å; E241-V243 VanDerWaalsContact C-N 3.34Å; E241-V243 PolarHBondContact O-N 3.1Å; V243-K245 PolarHBondContact O-N 3.16Å; V243-L246 WeakPolarHBondContact O-CB 3.47Å; V243-L246 PolarHBondContact O-N 3.27Å; V243-V247 PolarHBondContact O-N 3.43Å; V243-V297 HydrophobicContact CG1-CB 4.4Å; V243-V297 HydrophobicContact CG1-CG2 4.5Å; V243-V297 HydrophobicContact CG2-CB 4.05Å; V243-L299 HydrophobicContact CG1-CD1 3.58Å; V243-L299 HydrophobicContact CG1-CD2 3.95Å; V243-L299 HydrophobicContact CG1-CG 3.72Å |
| 244 | R | 84.1 | Confident | 85.8 | Confident | 101 Ų | 101 | 71 Ų | 71 | 38% | 0.381 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.9 | -35 | 177.9 | -66 | -176.5 | -153.1 | -170.7 | 5.5 | 113.3 | V236 N237 S239 S240 E241 L246 V247 | V236-R244 HydrophobicContact CG1-CG 4.01Å; V236-R244 WeakPolarHBondContact O-CD 3.35Å; V236-R244 VanDerWaalsContact O-CG 3.32Å; V236-R244 WeakPolarHBondContact O-CG 3.46Å; V236-R244 PolarHBondContact O-NE 2.91Å; N237-R244 PolarHBondContact O-NH1 2.68Å; N237-R244 PolarHBondContact O-NH2 2.83Å; S239-R244 VanDerWaalsContact O-CZ 3.25Å; S239-R244 PolarHBondContact O-NE 3.31Å; S239-R244 PolarHBondContact O-NH2 3.33Å; S239-R244 VanDerWaalsContact OG-CG 3.23Å; S239-R244 WeakPolarHBondContact OG-CG 3.23Å; S240-R244 WeakPolarHBondContact O-CG 3.32Å; S240-R244 PolarHBondContact O-N 3.46Å; E241-R244 PolarHBondContact O-N 2.83Å; R244-L246 PolarHBondContact O-N 3Å; R244-V247 PolarHBondContact O-N 3.21Å |
| 245 | K | 84.4 | Confident | 86 | Confident | 151 Ų | 151 | 66.7 Ų | 66.7 | 66% | 0.657 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -17.7 | 176.6 | -74 | 176.2 | -176.5 | 166.3 | 0 | 113.7 | E241 V243 | E241-K245 WeakPolarHBondContact O-CG 3.32Å; E241-K245 PolarHBondContact O-N 3.38Å; E241-K245 VanDerWaalsContact OE1-CE 3.25Å; E241-K245 WeakPolarHBondContact OE1-CE 3.43Å; E241-K245 IonicContact OE1-NZ 2.85Å; E241-K245 PolarHBondContact OE1-NZ 3.49Å; V243-K245 PolarHBondContact O-N 3.16Å |
| 246 | L | 83.5 | Confident | 86.3 | Confident | 65 Ų | 65 | 66.9 Ų | 66.9 | 34% | 0.34 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -2.3 | 179.2 | -60.5 | 175.1 | 0 | 0 | 0 | 112.9 | V243 R244 Q257 A830 | V243-L246 WeakPolarHBondContact O-CB 3.47Å; V243-L246 PolarHBondContact O-N 3.27Å; R244-L246 PolarHBondContact O-N 3Å; L246-Q257 PolarHBondContact O-NE2 2.69Å; L246-A830 HydrophobicContact CD1-CB 4.1Å; L246-A830 HydrophobicContact CD2-CB 4.03Å |
| 247 | V | 90.3 | Very high | 86.7 | Confident | 13 Ų | 13 | 67.1 Ų | 67.1 | 8% | 0.079 | 35% | 0.352 | C | S | . | . | trans | -93 | 127.8 | 175.1 | 177.7 | 0 | 0 | 0 | 0 | 108.1 | Y231 V236 V243 R244 M255 Q257 L299 | Y231-V247 HydrophobicContact CD2-CG1 4.37Å; V236-V247 HydrophobicContact CG1-CG1 4.43Å; V236-V247 HydrophobicContact CG2-CG1 4.11Å; V243-V247 PolarHBondContact O-N 3.43Å; R244-V247 PolarHBondContact O-N 3.21Å; V247-M255 HydrophobicContact CG1-CB 3.82Å; V247-M255 HydrophobicContact CG1-CG 4.44Å; V247-M255 HydrophobicContact CG1-SD 4.03Å; V247-Q257 HydrophobicContact CG2-CG 4.18Å; V247-L299 HydrophobicContact CG2-CD1 4.05Å; V247-L299 HydrophobicContact CG2-CD2 4.47Å | ||
| 248 | L | 92.2 | Very high | 87.2 | Confident | 37 Ų | 37 | 62.9 Ų | 62.9 | 19% | 0.194 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 161.1 | 179.8 | -60.4 | 178.1 | 0 | 0 | 0 | 110.5 | M255 Y256 Y817 | L248-M255 CarbonylContact O-C 3.02Å; L248-M255 VanDerWaalsContact O-CA 3.27Å; L248-M255 WeakPolarHBondContact O-CA 3.3Å; L248-Y256 HydrophobicContact CB-CD1 4.23Å; L248-Y256 HydrophobicContact CB-CD2 4.33Å; L248-Y256 HydrophobicContact CB-CE1 3.77Å; L248-Y256 HydrophobicContact CB-CE2 3.88Å; L248-Y256 HydrophobicContact CB-CG 4.49Å; L248-Y256 HydrophobicContact CD1-CE2 3.81Å; L248-Y256 HydrophobicContact CG-CE2 4.44Å; L248-Y256 PolarHBondContact N-O 2.95Å; L248-Y256 PolarHBondContact O-N 3.34Å; L248-Y817 HydrophobicContact CD2-CD2 4.08Å |
| 249 | T | 88.9 | Confident | 87.6 | Confident | 77 Ų | 77 | 58.9 Ų | 58.9 | 47% | 0.472 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 132.1 | 173.8 | -43.4 | 0 | 0 | 0 | 0 | 109.5 | G253 E254 M255 | T249-G253 VanDerWaalsContact CG2-C 3.49Å; T249-E254 WeakPolarHBondContact CA-O 3.25Å; T249-M255 HydrophobicContact CG2-SD 4.14Å; T249-M255 PolarHBondContact OG1-SD 3.27Å |
| 250 | N | 84.9 | Confident | 88.1 | Confident | 28 Ų | 28 | 58.5 Ų | 58.5 | 15% | 0.15 | 29% | 0.294 | C | S | . | . | trans | -82.8 | 175.2 | 175.3 | 71.3 | 7.9 | 0 | 0 | 0 | 111.5 | R252 G253 E254 Y256 | N250-R252 PolarHBondContact O-N 3.44Å; N250-R252 VanDerWaalsContact O-N 3.14Å; N250-R252 WeakPolarHBondContact OD1-CA 3.46Å; N250-R252 WeakPolarHBondContact OD1-CB 3.32Å; N250-R252 PolarHBondContact OD1-N 3.32Å; N250-G253 PolarHBondContact O-N 3.01Å; N250-G253 PolarHBondContact OD1-N 3.14Å; N250-G253 VanDerWaalsContact OD1-N 3.09Å; N250-E254 PolarHBondContact N-O 3.43Å; N250-E254 PolarHBondContact ND2-OE2 3.27Å; N250-E254 WeakPolarHBondContact OD1-CB 3.45Å; N250-E254 PolarHBondContact OD1-N 3.1Å; N250-E254 PolarHBondContact OD1-O 3.48Å; N250-Y256 HydrophobicContact CB-CD1 4.14Å; N250-Y256 HydrophobicContact CB-CE1 3.84Å | ||
| 251 | H | 76 | Confident | 88.5 | Confident | 86 Ų | 86 | 56.9 Ų | 56.9 | 40% | 0.398 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -25 | 177.5 | 60.6 | -90.4 | 0 | 0 | 0 | 113.2 | G253 | H251-G253 VanDerWaalsContact C-N 3.28Å; H251-G253 PolarHBondContact O-N 2.93Å |
| 252 | R | 79.1 | Confident | 88.9 | Confident | 100 Ų | 100 | 50.7 Ų | 50.7 | 38% | 0.377 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -4.1 | 176.2 | -55.9 | -179 | 168.2 | -139.5 | -6.5 | 113.6 | N250 E254 Q350 | N250-R252 PolarHBondContact O-N 3.44Å; N250-R252 VanDerWaalsContact O-N 3.14Å; N250-R252 WeakPolarHBondContact OD1-CA 3.46Å; N250-R252 WeakPolarHBondContact OD1-CB 3.32Å; N250-R252 PolarHBondContact OD1-N 3.32Å; R252-E254 VanDerWaalsContact C-N 3.33Å; R252-E254 HydrophobicContact CB-CG 4.26Å; R252-Q350 VanDerWaalsContact CZ-OE1 3.32Å |
| 253 | G | 83.4 | Confident | 89.4 | Confident | 43 Ų | 43 | 44.4 Ų | 44.4 | 44% | 0.443 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 82.7 | 6.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | T249 N250 H251 | T249-G253 VanDerWaalsContact CG2-C 3.49Å; N250-G253 PolarHBondContact O-N 3.01Å; N250-G253 PolarHBondContact OD1-N 3.14Å; N250-G253 VanDerWaalsContact OD1-N 3.09Å; H251-G253 VanDerWaalsContact C-N 3.28Å; H251-G253 PolarHBondContact O-N 2.93Å |
| 254 | E | 90.2 | Very high | 89.7 | Confident | 83 Ų | 83 | 43.8 Ų | 43.8 | 39% | 0.388 | 22% | 0.216 | S | C | . | . | trans | -80 | 134.8 | 178 | -55.5 | 172.7 | 114.1 | 0 | 0 | 110.5 | F230 T249 N250 R252 | F230-E254 HydrophobicContact CD1-CB 3.87Å; F230-E254 HydrophobicContact CE1-CB 3.93Å; T249-E254 WeakPolarHBondContact CA-O 3.25Å; N250-E254 PolarHBondContact N-O 3.43Å; N250-E254 PolarHBondContact ND2-OE2 3.27Å; N250-E254 WeakPolarHBondContact OD1-CB 3.45Å; N250-E254 PolarHBondContact OD1-N 3.1Å; N250-E254 PolarHBondContact OD1-O 3.48Å; R252-E254 VanDerWaalsContact C-N 3.33Å; R252-E254 HydrophobicContact CB-CG 4.26Å | ||
| 255 | M | 93.8 | Very high | 89.9 | Confident | 43 Ų | 43 | 40.4 Ų | 40.4 | 21% | 0.212 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 129.9 | -178.9 | -67.3 | -69.3 | -157.3 | 0 | 0 | 110.6 | F230 Y231 V236 V247 L248 T249 | F230-M255 WeakPolarHBondContact CA-O 3.42Å; Y231-M255 PolarHBondContact N-O 3.45Å; V236-M255 HydrophobicContact CG2-CB 4.04Å; V236-M255 HydrophobicContact CG2-CG 4.27Å; V247-M255 HydrophobicContact CG1-CB 3.82Å; V247-M255 HydrophobicContact CG1-CG 4.44Å; V247-M255 HydrophobicContact CG1-SD 4.03Å; L248-M255 CarbonylContact O-C 3.02Å; L248-M255 VanDerWaalsContact O-CA 3.27Å; L248-M255 WeakPolarHBondContact O-CA 3.3Å; T249-M255 HydrophobicContact CG2-SD 4.14Å; T249-M255 PolarHBondContact OG1-SD 3.27Å |
| 256 | Y | 95.8 | Very high | 90 | Very high | 21 Ų | 21 | 34.2 Ų | 34.2 | 8% | 0.082 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 165.4 | -175.1 | 74.8 | -90.3 | 0 | 0 | 0 | 114.6 | R228 W229 F230 L248 N250 D258 | R228-Y256 HydrophobicContact CG-CD2 3.91Å; R228-Y256 HydrophobicContact CG-CG 4.17Å; R228-Y256 VanDerWaalsContact CZ-CE2 3.45Å; R228-Y256 VanDerWaalsContact NE-CE2 3.32Å; W229-Y256 CarbonylContact O-C 3.57Å; W229-Y256 WeakPolarHBondContact O-CA 3.18Å; W229-Y256 VanDerWaalsContact O-CB 3.31Å; W229-Y256 WeakPolarHBondContact O-CB 3.5Å; F230-Y256 HydrophobicContact CE1-CG 4.48Å; L248-Y256 HydrophobicContact CB-CD1 4.23Å; L248-Y256 HydrophobicContact CB-CD2 4.33Å; L248-Y256 HydrophobicContact CB-CE1 3.77Å; L248-Y256 HydrophobicContact CB-CE2 3.88Å; L248-Y256 HydrophobicContact CB-CG 4.49Å; L248-Y256 HydrophobicContact CD1-CE2 3.81Å; L248-Y256 HydrophobicContact CG-CE2 4.44Å; L248-Y256 PolarHBondContact N-O 2.95Å; L248-Y256 PolarHBondContact O-N 3.34Å; N250-Y256 HydrophobicContact CB-CD1 4.14Å; N250-Y256 HydrophobicContact CB-CE1 3.84Å; Y256-D258 VanDerWaalsContact CD2-OD1 3.32Å; Y256-D258 WeakPolarHBondContact CD2-OD1 3.35Å; Y256-D258 WeakPolarHBondContact CE2-OD1 3.46Å |
| 257 | Q | 96.3 | Very high | 90.1 | Very high | 8 Ų | 8 | 34.4 Ų | 34.4 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 143.1 | 166.7 | -70 | -174.3 | -54.6 | 0 | 0 | 109.9 | W229 Y231 L246 V247 F259 L819 | W229-Q257 PolarHBondContact N-O 3.28Å; W229-Q257 PolarHBondContact O-N 3.39Å; Y231-Q257 HydrophobicContact CE2-CB 3.79Å; Y231-Q257 HydrophobicContact CE2-CG 3.68Å; Y231-Q257 PolarHBondContact OH-OE1 3.38Å; Y231-Q257 VanDerWaalsContact OH-OE1 3.08Å; L246-Q257 PolarHBondContact O-NE2 2.69Å; V247-Q257 HydrophobicContact CG2-CG 4.18Å; Q257-F259 HydrophobicContact CB-CE2 3.81Å; Q257-F259 HydrophobicContact CB-CZ 4.37Å; Q257-L819 HydrophobicContact CB-CD1 4.29Å |
| 258 | D | 96.7 | Very high | 90 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 132.1 | 178.6 | -67.8 | -15.5 | 0 | 0 | 0 | 110.3 | R228 Y256 Y260 N311 Y816 L819 | R228-D258 WeakPolarHBondContact CB-OD1 3.5Å; R228-D258 WeakPolarHBondContact CG-OD1 3.47Å; R228-D258 IonicContact CZ-OD1 2.79Å; R228-D258 IonicContact CZ-OD2 2.79Å; R228-D258 IonicContact NE-OD1 2.75Å; R228-D258 PolarHBondContact NE-OD1 2.8Å; R228-D258 IonicContact NE-OD2 3.98Å; R228-D258 IonicContact NH2-OD1 3.16Å; R228-D258 PolarHBondContact NH2-OD1 2.81Å; R228-D258 IonicContact NH2-OD2 2.64Å; R228-D258 PolarHBondContact NH2-OD2 3.4Å; Y256-D258 VanDerWaalsContact CD2-OD1 3.32Å; Y256-D258 WeakPolarHBondContact CD2-OD1 3.35Å; Y256-D258 WeakPolarHBondContact CE2-OD1 3.46Å; D258-Y260 HydrophobicContact CB-CE2 4.21Å; D258-N311 HydrophobicContact CB-CB 4.47Å; D258-N311 VanDerWaalsContact OD2-CB 3.25Å; D258-N311 WeakPolarHBondContact OD2-CB 3.33Å; D258-Y816 VanDerWaalsContact CB-OH 3.24Å; D258-Y816 WeakPolarHBondContact CB-OH 3.27Å; D258-Y816 WeakPolarHBondContact OD2-CE2 3.48Å; D258-Y816 PolarHBondContact OD2-OH 3.12Å; D258-L819 PolarHBondContact O-N 3.11Å |
| 259 | F | 97.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 136.5 | -176.7 | -68.5 | -99.2 | 0 | 0 | 0 | 110.2 | F226 S227 W229 Q257 I290 H293 I294 L819 Y828 | F226-F259 CarbonylContact C-O 3.55Å; F226-F259 VanDerWaalsContact CA-O 3.23Å; F226-F259 WeakPolarHBondContact CA-O 3.22Å; S227-F259 PolarHBondContact N-O 3.3Å; S227-F259 PolarHBondContact O-N 2.9Å; W229-F259 HydrophobicContact CB-CD2 4.39Å; W229-F259 HydrophobicContact CB-CE2 4.05Å; W229-F259 AromaticContact CD1-CD2 3.64Å; W229-F259 HydrophobicContact CG-CD2 4.2Å; W229-F259 HydrophobicContact CG-CE2 4.15Å; Q257-F259 HydrophobicContact CB-CE2 3.81Å; Q257-F259 HydrophobicContact CB-CZ 4.37Å; F259-I290 HydrophobicContact CB-CD1 3.84Å; F259-I290 HydrophobicContact CB-CG1 4.42Å; F259-I290 HydrophobicContact CD1-CD1 4.25Å; F259-I290 HydrophobicContact CD1-CG1 3.95Å; F259-I290 HydrophobicContact CD1-CG2 4.22Å; F259-I290 HydrophobicContact CD2-CG2 4.36Å; F259-I290 HydrophobicContact CE1-CG1 4.46Å; F259-I290 HydrophobicContact CE1-CG2 4.02Å; F259-I290 HydrophobicContact CE2-CG2 4.18Å; F259-I290 HydrophobicContact CG-CD1 3.95Å; F259-I290 HydrophobicContact CG-CG1 4.18Å; F259-I290 HydrophobicContact CG-CG2 4.39Å; F259-I290 HydrophobicContact CZ-CG2 4Å; F259-H293 AromaticContact CE1-CD2 3.81Å; F259-I294 HydrophobicContact CZ-CD1 4.47Å; F259-I294 HydrophobicContact CZ-CG1 4.26Å; F259-L819 CarbonylContact C-O 3.54Å; F259-L819 WeakPolarHBondContact CA-O 3.31Å; F259-L819 HydrophobicContact CD1-CB 3.98Å; F259-L819 HydrophobicContact CD1-CD1 4Å; F259-L819 HydrophobicContact CE1-CB 4.21Å; F259-L819 HydrophobicContact CE1-CD1 3.38Å; F259-L819 HydrophobicContact CE1-CG 4.44Å; F259-L819 HydrophobicContact CE2-CD1 4.13Å; F259-L819 HydrophobicContact CG-CB 4.47Å; F259-L819 HydrophobicContact CZ-CD1 3.46Å; F259-L819 VanDerWaalsContact CZ-CD1 3.46Å; F259-Y828 HydrophobicContact CB-CE1 4.17Å; F259-Y828 AromaticContact CD1-CD1 3.83Å; F259-Y828 HydrophobicContact CD1-CD1 3.83Å; F259-Y828 HydrophobicContact CD1-CD2 4.29Å; F259-Y828 AromaticContact CD1-CE1 3.84Å; F259-Y828 HydrophobicContact CD1-CE1 3.84Å; F259-Y828 HydrophobicContact CD1-CE2 4.31Å; F259-Y828 HydrophobicContact CD1-CG 4.06Å; F259-Y828 HydrophobicContact CE1-CG 4.43Å |
| 260 | Y | 96.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 134.3 | 174.1 | -65.4 | -95.4 | 0 | 0 | 0 | 110.3 | M179 V224 L225 F226 D258 N311 T315 I318 Y816 Y818 L819 L820 Q821 Y828 F1155 | M179-Y260 HydrophobicContact CE-CD1 4.5Å; M179-Y260 HydrophobicContact CE-CE1 4.42Å; V224-Y260 HydrophobicContact CG1-CD1 3.91Å; L225-Y260 CarbonylContact O-C 3.53Å; L225-Y260 VanDerWaalsContact O-CA 3.28Å; L225-Y260 WeakPolarHBondContact O-CA 3.21Å; F226-Y260 HydrophobicContact CB-CD1 3.6Å; F226-Y260 HydrophobicContact CB-CE1 3.6Å; F226-Y260 HydrophobicContact CB-CG 4.38Å; F226-Y260 HydrophobicContact CG-CE1 4.39Å; D258-Y260 HydrophobicContact CB-CE2 4.21Å; Y260-N311 VanDerWaalsContact CZ-ND2 3.33Å; Y260-N311 PolarHBondContact OH-ND2 3.48Å; Y260-T315 HydrophobicContact CE1-CG2 4.11Å; Y260-T315 WeakPolarHBondContact CE1-OG1 3.2Å; Y260-T315 WeakPolarHBondContact OH-CA 3.33Å; Y260-T315 PolarHBondContact OH-N 3.2Å; Y260-T315 PolarHBondContact OH-OG1 3.29Å; Y260-T315 VanDerWaalsContact OH-OG1 3.08Å; Y260-I318 HydrophobicContact CD1-CD1 4.29Å; Y260-I318 HydrophobicContact CE1-CD1 3.61Å; Y260-I318 HydrophobicContact CE2-CD1 3.97Å; Y260-I318 VanDerWaalsContact CZ-CD1 3.41Å; Y260-I318 WeakPolarHBondContact OH-CD1 3.37Å; Y260-Y816 HydrophobicContact CE2-CE1 4.11Å; Y260-Y816 WeakPolarHBondContact CE2-OH 3.13Å; Y260-Y816 PolarHBondContact OH-OH 3.43Å; Y260-Y818 AromaticContact CD2-CD2 3.62Å; Y260-Y818 HydrophobicContact CD2-CD2 3.62Å; Y260-Y818 HydrophobicContact CD2-CG 4.02Å; Y260-Y818 AromaticContact CE2-CD2 4Å; Y260-Y818 HydrophobicContact CE2-CD2 4Å; Y260-Y818 AromaticContact CE2-CG 3.96Å; Y260-Y818 HydrophobicContact CE2-CG 3.96Å; Y260-Y818 HydrophobicContact CG-CD2 4.42Å; Y260-L819 PolarHBondContact N-O 3.25Å; Y260-L820 WeakPolarHBondContact O-CA 3.32Å; Y260-Q821 PolarHBondContact O-N 2.68Å; Y260-Y828 WeakPolarHBondContact O-CE1 3.47Å; Y260-F1155 HydrophobicContact CD1-CE1 4.03Å; Y260-F1155 HydrophobicContact CD1-CZ 4.39Å; Y260-F1155 HydrophobicContact CG-CE1 4.4Å |
| 261 | H | 95.5 | Very high | 89.6 | Confident | 34 Ų | 34 | 43.7 Ų | 43.7 | 16% | 0.157 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 108.5 | 174.3 | -175.1 | 102.4 | 0 | 0 | 0 | 109.4 | V224 L225 I263 Y286 Q821 | V224-H261 WeakPolarHBondContact CA-O 3.39Å; L225-H261 HydrophobicContact CB-CB 4.22Å; L225-H261 PolarHBondContact N-O 3.24Å; L225-H261 PolarHBondContact O-N 2.86Å; H261-I263 PolarHBondContact O-N 3.39Å; H261-Y286 HydrophobicContact CB-CD2 4.12Å; H261-Y286 HydrophobicContact CB-CE2 3.73Å; H261-Q821 PolarHBondContact CE1-OE1 3.01Å; H261-Q821 VanDerWaalsContact CE1-OE1 3.22Å; H261-Q821 PolarHBondContact ND1-OE1 3.33Å |
| 262 | L | 93.2 | Very high | 90.4 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 107.9 | -179.5 | 178.3 | 65.3 | 0 | 0 | 0 | 109.5 | V224 V264 H265 L820 Q821 P823 F1155 | V224-L262 HydrophobicContact CG2-CD1 3.69Å; L262-V264 VanDerWaalsContact CD1-O 3.24Å; L262-V264 WeakPolarHBondContact CD1-O 3.47Å; L262-H265 HydrophobicContact CD1-CB 4.09Å; L262-H265 HydrophobicContact CD2-CB 3.78Å; L262-H265 HydrophobicContact CG-CB 4.13Å; L262-L820 HydrophobicContact CB-CD1 4.22Å; L262-Q821 PolarHBondContact N-O 3.17Å; L262-P823 HydrophobicContact CD2-CG 4.33Å; L262-P823 HydrophobicContact CG-CG 4.14Å; L262-P823 WeakPolarHBondContact O-CD 3.23Å; L262-P823 WeakPolarHBondContact O-CG 3.48Å; L262-F1155 HydrophobicContact CD2-CB 3.91Å; L262-F1155 WeakPolarHBondContact CD2-O 3.47Å |
| 263 | I | 92.9 | Very high | 90.9 | Very high | 21 Ų | 21 | 39.8 Ų | 39.8 | 11% | 0.108 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | -43.6 | -177.3 | -55.5 | 174.1 | 0 | 0 | 0 | 110.3 | I223 L225 H261 K278 I279 A282 | I223-I263 HydrophobicContact CG2-CD1 4.13Å; I223-I263 PolarHBondContact O-N 2.99Å; L225-I263 HydrophobicContact CD1-CD1 4.04Å; L225-I263 HydrophobicContact CD2-CD1 3.86Å; L225-I263 HydrophobicContact CG-CD1 3.79Å; L225-I263 HydrophobicContact CG-CG1 4.3Å; H261-I263 PolarHBondContact O-N 3.39Å; I263-K278 HydrophobicContact CG2-CB 4.1Å; I263-I279 HydrophobicContact CD1-CB 4.4Å; I263-I279 HydrophobicContact CD1-CG1 4.04Å; I263-I279 HydrophobicContact CD1-CG2 4.37Å; I263-I279 HydrophobicContact CG2-CG1 4.4Å; I263-A282 HydrophobicContact CD1-CB 3.72Å; I263-A282 HydrophobicContact CG1-CB 3.94Å |
| 264 | V | 89.9 | Confident | 91.3 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 4% | 0.036 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 138.6 | -177.5 | -170 | 0 | 0 | 0 | 0 | 107.8 | S222 I223 L262 E267 Y269 V275 | S222-V264 CarbonylContact C-O 3.57Å; S222-V264 VanDerWaalsContact CA-O 3.23Å; S222-V264 WeakPolarHBondContact CA-O 3.46Å; I223-V264 PolarHBondContact N-O 3.1Å; L262-V264 VanDerWaalsContact CD1-O 3.24Å; L262-V264 WeakPolarHBondContact CD1-O 3.47Å; V264-E267 HydrophobicContact CG1-CB 3.47Å; V264-E267 VanDerWaalsContact CG1-CB 3.47Å; V264-E267 HydrophobicContact CG1-CG 3.33Å; V264-Y269 HydrophobicContact CG1-CE2 4.45Å; V264-V275 HydrophobicContact CG2-CG1 3.76Å |
| 265 | H | 87.3 | Confident | 91.4 | Very high | 29 Ų | 29 | 37.9 Ų | 37.9 | 13% | 0.134 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 114.7 | -179.5 | -171.3 | 42.9 | 0 | 0 | 0 | 112.1 | S222 L262 E267 D1153 R1156 | S222-H265 PolarHBondContact OG-ND1 2.79Å; S222-H265 VanDerWaalsContact OG-ND1 3.08Å; L262-H265 HydrophobicContact CD1-CB 4.09Å; L262-H265 HydrophobicContact CD2-CB 3.78Å; L262-H265 HydrophobicContact CG-CB 4.13Å; H265-E267 PolarHBondContact O-N 3.43Å; H265-D1153 IonicContact CE1-OD2 3.19Å; H265-D1153 IonicContact NE2-OD2 3.97Å; H265-D1153 PolarHBondContact NE2-OD2 3.06Å; H265-R1156 PolarHBondContact NE2-NH2 3.41Å |
| 266 | N | 85.9 | Confident | 91.5 | Very high | 21 Ų | 21 | 36.9 Ų | 36.9 | 11% | 0.112 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 54 | 37.3 | 172.2 | -171.7 | 58.3 | 0 | 0 | 0 | 113.4 | L175 V221 S222 R334 | L175-N266 WeakPolarHBondContact CD1-OD1 3.2Å; V221-N266 PolarHBondContact O-N 2.8Å; S222-N266 PolarHBondContact OG-N 3.09Å; N266-R334 PolarHBondContact OD1-NH1 3.49Å; N266-R334 PolarHBondContact OD1-NH2 2.79Å |
| 267 | E | 86.9 | Confident | 91.4 | Very high | 69 Ų | 69 | 39.3 Ų | 39.3 | 32% | 0.322 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 158.1 | 179.5 | -70.7 | -65.1 | 166.6 | 0 | 0 | 111.7 | F220 V221 V264 H265 Y269 W272 | F220-E267 CarbonylContact C-O 3.6Å; F220-E267 WeakPolarHBondContact CA-O 3.21Å; V221-E267 PolarHBondContact N-O 3Å; V221-E267 PolarHBondContact O-N 2.92Å; V221-E267 VanDerWaalsContact O-N 3.13Å; V264-E267 HydrophobicContact CG1-CB 3.47Å; V264-E267 VanDerWaalsContact CG1-CB 3.47Å; V264-E267 HydrophobicContact CG1-CG 3.33Å; H265-E267 PolarHBondContact O-N 3.43Å; E267-Y269 HydrophobicContact CB-CD2 4.3Å; E267-Y269 HydrophobicContact CB-CE2 3.57Å; E267-Y269 HydrophobicContact CG-CE2 4.2Å; E267-W272 HydrophobicContact CB-CH2 4.44Å; E267-W272 WeakPolarHBondContact O-CH2 3.42Å |
| 268 | Q | 87.8 | Confident | 91.2 | Very high | 21 Ų | 21 | 44.3 Ų | 44.3 | 10% | 0.098 | 22% | 0.222 | C | C | . | . | trans | -133.2 | 121.1 | 178.2 | -177.9 | -170.5 | -5.6 | 0 | 0 | 109.2 | S218 F220 L1232 | S218-Q268 PolarHBondContact OG-NE2 2.96Å; F220-Q268 HydrophobicContact CD1-CB 4.15Å; F220-Q268 HydrophobicContact CE1-CB 4.2Å; Q268-L1232 VanDerWaalsContact CD-CD1 3.5Å; Q268-L1232 HydrophobicContact CG-CD1 4.3Å; Q268-L1232 VanDerWaalsContact NE2-CD1 3.27Å | ||
| 269 | Y | 86.2 | Confident | 91.1 | Very high | 76 Ų | 76 | 44.3 Ų | 44.3 | 30% | 0.298 | 22% | 0.222 | S | C | . | . | trans | -126 | 144.7 | 176.2 | -59.1 | -75.8 | 0 | 0 | 0 | 110.7 | V264 E267 D271 W272 V275 | V264-Y269 HydrophobicContact CG1-CE2 4.45Å; E267-Y269 HydrophobicContact CB-CD2 4.3Å; E267-Y269 HydrophobicContact CB-CE2 3.57Å; E267-Y269 HydrophobicContact CG-CE2 4.2Å; Y269-D271 VanDerWaalsContact C-N 3.33Å; Y269-D271 WeakPolarHBondContact CB-O 3.42Å; Y269-W272 HydrophobicContact CD2-CD2 4.14Å; Y269-W272 AromaticContact CD2-CE3 3.89Å; Y269-W272 HydrophobicContact CD2-CE3 3.89Å; Y269-W272 AromaticContact CD2-CH2 3.56Å; Y269-W272 HydrophobicContact CD2-CH2 3.56Å; Y269-W272 AromaticContact CD2-CZ2 3.87Å; Y269-W272 HydrophobicContact CD2-CZ2 3.87Å; Y269-W272 AromaticContact CD2-CZ3 3.61Å; Y269-W272 HydrophobicContact CD2-CZ3 3.61Å; Y269-W272 HydrophobicContact CE2-CH2 4.09Å; Y269-W272 HydrophobicContact CE2-CZ3 4.02Å; Y269-W272 PolarHBondContact O-NE1 3.39Å; Y269-W272 VanDerWaalsContact O-NE1 3.15Å; Y269-V275 HydrophobicContact CD2-CG2 3.93Å; Y269-V275 HydrophobicContact CE2-CG2 3.85Å | ||
| 270 | E | 83.6 | Confident | 91 | Very high | 185 Ų | 185 | 50 Ų | 50 | 86% | 0.864 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -71.4 | -32.9 | 167.1 | -64.5 | -172.8 | 166.3 | 0 | 0 | 111.4 | ||
| 271 | D | 88.3 | Confident | 90.9 | Very high | 68 Ų | 68 | 54 Ų | 54 | 36% | 0.364 | 27% | 0.271 | S | S | . | . | trans | -126.4 | 116.9 | 175.4 | -163.4 | -13.5 | 0 | 0 | 0 | 110.7 | K213 Y269 Q273 P274 | K213-D271 IonicContact NZ-OD2 3.65Å; Y269-D271 VanDerWaalsContact C-N 3.33Å; Y269-D271 WeakPolarHBondContact CB-O 3.42Å; D271-Q273 VanDerWaalsContact OD1-CB 3.28Å; D271-Q273 WeakPolarHBondContact OD1-CB 3.46Å; D271-Q273 WeakPolarHBondContact OD1-CG 2.85Å; D271-Q273 PolarHBondContact OD1-N 3.03Å; D271-P274 WeakPolarHBondContact O-CD 3.41Å | ||
| 272 | W | 92 | Very high | 90.8 | Very high | 11 Ų | 11 | 52.8 Ų | 52.8 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | trans | -87.1 | -5.7 | 179.6 | -73.5 | 87.5 | 0 | 0 | 0 | 113.3 | F209 W212 V221 E267 Y269 P274 V275 | F209-W272 HydrophobicContact CB-CB 3.99Å; F209-W272 HydrophobicContact CD1-CB 3.76Å; F209-W272 HydrophobicContact CD1-CG 4.06Å; F209-W272 HydrophobicContact CD2-CB 3.65Å; F209-W272 HydrophobicContact CE1-CB 4.11Å; F209-W272 HydrophobicContact CE1-CD2 4.45Å; F209-W272 HydrophobicContact CE1-CG 4.26Å; F209-W272 HydrophobicContact CE2-CB 4Å; F209-W272 HydrophobicContact CG-CB 3.52Å; F209-W272 HydrophobicContact CG-CG 4.31Å; F209-W272 HydrophobicContact CZ-CB 4.23Å; F209-W272 HydrophobicContact CZ-CE3 4.47Å; W212-W272 AromaticContact CE3-CD1 3.9Å; W212-W272 HydrophobicContact CE3-CG 4.37Å; W212-W272 AromaticContact CE3-NE1 3.95Å; W212-W272 HydrophobicContact CZ3-CD2 4.31Å; W212-W272 HydrophobicContact CZ3-CG 4.42Å; V221-W272 HydrophobicContact CB-CH2 3.39Å; V221-W272 HydrophobicContact CB-CZ2 3.78Å; V221-W272 HydrophobicContact CB-CZ3 3.98Å; V221-W272 HydrophobicContact CG1-CH2 4.36Å; V221-W272 HydrophobicContact CG2-CH2 3.6Å; V221-W272 HydrophobicContact CG2-CZ2 3.39Å; V221-W272 HydrophobicContact CG2-CZ3 4.37Å; E267-W272 HydrophobicContact CB-CH2 4.44Å; E267-W272 WeakPolarHBondContact O-CH2 3.42Å; Y269-W272 HydrophobicContact CD2-CD2 4.14Å; Y269-W272 AromaticContact CD2-CE3 3.89Å; Y269-W272 HydrophobicContact CD2-CE3 3.89Å; Y269-W272 AromaticContact CD2-CH2 3.56Å; Y269-W272 HydrophobicContact CD2-CH2 3.56Å; Y269-W272 AromaticContact CD2-CZ2 3.87Å; Y269-W272 HydrophobicContact CD2-CZ2 3.87Å; Y269-W272 AromaticContact CD2-CZ3 3.61Å; Y269-W272 HydrophobicContact CD2-CZ3 3.61Å; Y269-W272 HydrophobicContact CE2-CH2 4.09Å; Y269-W272 HydrophobicContact CE2-CZ3 4.02Å; Y269-W272 PolarHBondContact O-NE1 3.39Å; Y269-W272 VanDerWaalsContact O-NE1 3.15Å; W272-P274 VanDerWaalsContact C-CD 3.46Å; W272-V275 HydrophobicContact CE3-CB 4.12Å; W272-V275 HydrophobicContact CE3-CG1 4.32Å; W272-V275 HydrophobicContact CE3-CG2 3.73Å; W272-V275 HydrophobicContact CZ3-CG1 4.5Å; W272-V275 HydrophobicContact CZ3-CG2 4.06Å; W272-V275 WeakPolarHBondContact O-CB 3.33Å; W272-V275 PolarHBondContact O-N 3.22Å | ||
| 273 | Q | 91.1 | Very high | 90.9 | Very high | 93 Ų | 93 | 53.3 Ų | 53.3 | 44% | 0.435 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -53.7 | -42.7 | 178.8 | -70 | -69.5 | -34 | 0 | 0 | 113.8 | D271 V275 L276 | D271-Q273 VanDerWaalsContact OD1-CB 3.28Å; D271-Q273 WeakPolarHBondContact OD1-CB 3.46Å; D271-Q273 WeakPolarHBondContact OD1-CG 2.85Å; D271-Q273 PolarHBondContact OD1-N 3.03Å; Q273-V275 PolarHBondContact O-N 3.38Å; Q273-V275 VanDerWaalsContact O-N 3.17Å; Q273-L276 WeakPolarHBondContact O-CB 3.35Å; Q273-L276 PolarHBondContact O-N 2.99Å; Q273-L276 VanDerWaalsContact O-N 3.1Å |
| 274 | P | 90.6 | Very high | 90.9 | Very high | 83 Ų | 83 | 55.7 Ų | 55.7 | 54% | 0.539 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.4 | -21.1 | 176.9 | -22.2 | 35 | 0 | 0 | 0 | 114 | D271 W272 L276 S277 | D271-P274 WeakPolarHBondContact O-CD 3.41Å; W272-P274 VanDerWaalsContact C-CD 3.46Å; P274-L276 VanDerWaalsContact C-N 3.34Å; P274-S277 PolarHBondContact O-OG 3.1Å |
| 275 | V | 92.5 | Very high | 91.1 | Very high | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.024 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -74.9 | -27.6 | 177.8 | -178.6 | 0 | 0 | 0 | 0 | 110.9 | I223 V264 Y269 W272 Q273 S277 K278 I279 | I223-V275 HydrophobicContact CD1-CG1 3.96Å; V264-V275 HydrophobicContact CG2-CG1 3.76Å; Y269-V275 HydrophobicContact CD2-CG2 3.93Å; Y269-V275 HydrophobicContact CE2-CG2 3.85Å; W272-V275 HydrophobicContact CE3-CB 4.12Å; W272-V275 HydrophobicContact CE3-CG1 4.32Å; W272-V275 HydrophobicContact CE3-CG2 3.73Å; W272-V275 HydrophobicContact CZ3-CG1 4.5Å; W272-V275 HydrophobicContact CZ3-CG2 4.06Å; W272-V275 WeakPolarHBondContact O-CB 3.33Å; W272-V275 PolarHBondContact O-N 3.22Å; Q273-V275 PolarHBondContact O-N 3.38Å; Q273-V275 VanDerWaalsContact O-N 3.17Å; V275-S277 VanDerWaalsContact C-N 3.25Å; V275-S277 PolarHBondContact O-N 3.03Å; V275-K278 WeakPolarHBondContact O-CA 3.31Å; V275-K278 WeakPolarHBondContact O-CB 3.34Å; V275-K278 PolarHBondContact O-N 2.92Å; V275-I279 HydrophobicContact CG1-CD1 4.06Å; V275-I279 HydrophobicContact CG1-CG1 4.18Å; V275-I279 WeakPolarHBondContact O-CG1 3.43Å; V275-I279 PolarHBondContact O-N 3.46Å |
| 276 | L | 95.2 | Very high | 91.4 | Very high | 21 Ų | 21 | 57.4 Ų | 57.4 | 11% | 0.11 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59 | -35.7 | 177.2 | -68 | 171.3 | 0 | 0 | 0 | 112.4 | L205 P206 F209 Q273 P274 I279 K280 | L205-L276 HydrophobicContact CB-CD2 3.84Å; P206-L276 HydrophobicContact CG-CD1 4.01Å; P206-L276 HydrophobicContact CG-CD2 4.36Å; F209-L276 HydrophobicContact CD2-CD1 4.44Å; F209-L276 HydrophobicContact CD2-CD2 3.99Å; F209-L276 HydrophobicContact CD2-CG 4.13Å; F209-L276 HydrophobicContact CE2-CD2 3.65Å; F209-L276 HydrophobicContact CE2-CG 4.03Å; Q273-L276 WeakPolarHBondContact O-CB 3.35Å; Q273-L276 PolarHBondContact O-N 2.99Å; Q273-L276 VanDerWaalsContact O-N 3.1Å; P274-L276 VanDerWaalsContact C-N 3.34Å; L276-I279 PolarHBondContact O-N 2.77Å; L276-K280 WeakPolarHBondContact O-CB 3.43Å; L276-K280 PolarHBondContact O-N 3.23Å |
| 277 | S | 93.6 | Very high | 91.8 | Very high | 73 Ų | 73 | 63.6 Ų | 63.6 | 51% | 0.51 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.1 | -38.7 | 175.6 | 67.1 | 0 | 0 | 0 | 0 | 111.8 | P274 V275 K280 V281 | P274-S277 PolarHBondContact O-OG 3.1Å; V275-S277 VanDerWaalsContact C-N 3.25Å; V275-S277 PolarHBondContact O-N 3.03Å; S277-K280 PolarHBondContact O-N 2.96Å; S277-V281 WeakPolarHBondContact O-CG2 3.06Å; S277-V281 PolarHBondContact O-N 3.5Å |
| 278 | K | 92.6 | Very high | 92.1 | Very high | 113 Ų | 113 | 67.8 Ų | 67.8 | 49% | 0.491 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 173.9 | -64.3 | -173.5 | 176.3 | -173.7 | 0 | 110.9 | I263 V275 V281 A282 | I263-K278 HydrophobicContact CG2-CB 4.1Å; V275-K278 WeakPolarHBondContact O-CA 3.31Å; V275-K278 WeakPolarHBondContact O-CB 3.34Å; V275-K278 PolarHBondContact O-N 2.92Å; K278-V281 PolarHBondContact O-N 2.67Å; K278-A282 PolarHBondContact O-N 2.69Å |
| 279 | I | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 177.3 | -61.8 | 170.5 | 0 | 0 | 0 | 110.9 | I201 L205 I223 I263 V275 L276 V281 A282 F283 | I201-I279 HydrophobicContact CG1-CG2 4.15Å; L205-I279 HydrophobicContact CD1-CD1 3.96Å; L205-I279 HydrophobicContact CD1-CG2 4.3Å; I223-I279 HydrophobicContact CD1-CD1 3.77Å; I223-I279 HydrophobicContact CD1-CG1 4.49Å; I223-I279 HydrophobicContact CG2-CD1 4.45Å; I263-I279 HydrophobicContact CD1-CB 4.4Å; I263-I279 HydrophobicContact CD1-CG1 4.04Å; I263-I279 HydrophobicContact CD1-CG2 4.37Å; I263-I279 HydrophobicContact CG2-CG1 4.4Å; V275-I279 HydrophobicContact CG1-CD1 4.06Å; V275-I279 HydrophobicContact CG1-CG1 4.18Å; V275-I279 WeakPolarHBondContact O-CG1 3.43Å; V275-I279 PolarHBondContact O-N 3.46Å; L276-I279 PolarHBondContact O-N 2.77Å; I279-V281 VanDerWaalsContact C-N 3.33Å; I279-V281 PolarHBondContact O-N 3.04Å; I279-A282 WeakPolarHBondContact O-CB 3.3Å; I279-A282 PolarHBondContact O-N 3.36Å; I279-A282 VanDerWaalsContact O-N 3.13Å; I279-F283 HydrophobicContact CG2-CD2 3.68Å; I279-F283 HydrophobicContact CG2-CE2 3.43Å; I279-F283 VanDerWaalsContact CG2-CE2 3.43Å; I279-F283 HydrophobicContact CG2-CZ 4.35Å; I279-F283 VanDerWaalsContact O-CD2 3.28Å; I279-F283 WeakPolarHBondContact O-CD2 3.42Å; I279-F283 PolarHBondContact O-N 3.23Å |
| 280 | K | 95.5 | Very high | 92.8 | Very high | 119 Ų | 119 | 64.7 Ų | 64.7 | 52% | 0.517 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.8 | -41.6 | 178.2 | -173.5 | 172.6 | -177.6 | 171 | 0 | 112.6 | I201 L276 S277 S284 | I201-K280 HydrophobicContact CG2-CB 4.43Å; L276-K280 WeakPolarHBondContact O-CB 3.43Å; L276-K280 PolarHBondContact O-N 3.23Å; S277-K280 PolarHBondContact O-N 2.96Å; K280-S284 WeakPolarHBondContact O-CB 3.48Å; K280-S284 PolarHBondContact O-N 2.91Å; K280-S284 VanDerWaalsContact O-N 3.08Å; K280-S284 PolarHBondContact O-OG 3.31Å |
| 281 | V | 93.8 | Very high | 93.3 | Very high | 84 Ų | 84 | 58.5 Ų | 58.5 | 51% | 0.509 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 174.5 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | S277 K278 I279 S284 N285 | S277-V281 WeakPolarHBondContact O-CG2 3.06Å; S277-V281 PolarHBondContact O-N 3.5Å; K278-V281 PolarHBondContact O-N 2.67Å; I279-V281 VanDerWaalsContact C-N 3.33Å; I279-V281 PolarHBondContact O-N 3.04Å; V281-S284 PolarHBondContact O-N 3.37Å; V281-N285 WeakPolarHBondContact O-CB 3.3Å; V281-N285 PolarHBondContact O-N 3.18Å; V281-N285 VanDerWaalsContact O-N 3.08Å; V281-N285 PolarHBondContact O-ND2 3.21Å |
| 282 | A | 93.8 | Very high | 93.5 | Very high | 9 Ų | 9 | 58 Ų | 58 | 7% | 0.074 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.3 | -48.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L225 I263 K278 I279 S284 N285 Y286 | L225-A282 HydrophobicContact CD1-CB 4.05Å; I263-A282 HydrophobicContact CD1-CB 3.72Å; I263-A282 HydrophobicContact CG1-CB 3.94Å; K278-A282 PolarHBondContact O-N 2.69Å; I279-A282 WeakPolarHBondContact O-CB 3.3Å; I279-A282 PolarHBondContact O-N 3.36Å; I279-A282 VanDerWaalsContact O-N 3.13Å; A282-S284 VanDerWaalsContact C-N 3.34Å; A282-S284 PolarHBondContact O-N 3.15Å; A282-N285 PolarHBondContact O-N 2.91Å; A282-N285 VanDerWaalsContact O-N 3.16Å; A282-Y286 WeakPolarHBondContact O-CB 3.4Å; A282-Y286 PolarHBondContact O-N 2.92Å |
| 283 | F | 94.6 | Very high | 93.6 | Very high | 14 Ų | 14 | 58.2 Ų | 58.2 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.8 | -46.1 | 176.2 | -89 | -126.6 | 0 | 0 | 0 | 112.3 | I180 M182 M186 I201 L225 I279 N285 Y286 | I180-F283 HydrophobicContact CD1-CE2 4.24Å; I180-F283 HydrophobicContact CD1-CZ 4.3Å; I180-F283 HydrophobicContact CG2-CZ 4Å; M182-F283 HydrophobicContact CE-CD1 3.9Å; M182-F283 HydrophobicContact CE-CE1 4.18Å; M182-F283 HydrophobicContact CE-CG 4.15Å; M182-F283 HydrophobicContact SD-CD1 4.29Å; M182-F283 HydrophobicContact SD-CE1 4.01Å; M182-F283 HydrophobicContact SD-CE2 4.24Å; M182-F283 HydrophobicContact SD-CZ 4Å; M186-F283 HydrophobicContact SD-CE1 4.38Å; I201-F283 HydrophobicContact CD1-CB 3.84Å; I201-F283 HydrophobicContact CD1-CD1 3.29Å; I201-F283 HydrophobicContact CD1-CD2 3.9Å; I201-F283 HydrophobicContact CD1-CE1 3.62Å; I201-F283 HydrophobicContact CD1-CE2 4.18Å; I201-F283 HydrophobicContact CD1-CG 3.42Å; I201-F283 VanDerWaalsContact CD1-CG 3.42Å; I201-F283 HydrophobicContact CD1-CZ 4.03Å; I201-F283 HydrophobicContact CG1-CD1 4.12Å; I201-F283 HydrophobicContact CG1-CD2 4.47Å; I201-F283 HydrophobicContact CG1-CE1 3.91Å; I201-F283 HydrophobicContact CG1-CE2 4.28Å; I201-F283 HydrophobicContact CG1-CG 4.37Å; I201-F283 HydrophobicContact CG1-CZ 3.98Å; L225-F283 HydrophobicContact CD1-CD2 4.06Å; L225-F283 HydrophobicContact CD1-CE2 4.34Å; L225-F283 HydrophobicContact CD2-CD2 4.19Å; L225-F283 HydrophobicContact CD2-CE2 3.63Å; L225-F283 HydrophobicContact CD2-CZ 4.46Å; I279-F283 HydrophobicContact CG2-CD2 3.68Å; I279-F283 HydrophobicContact CG2-CE2 3.43Å; I279-F283 VanDerWaalsContact CG2-CE2 3.43Å; I279-F283 HydrophobicContact CG2-CZ 4.35Å; I279-F283 VanDerWaalsContact O-CD2 3.28Å; I279-F283 WeakPolarHBondContact O-CD2 3.42Å; I279-F283 PolarHBondContact O-N 3.23Å; F283-N285 PolarHBondContact O-N 2.82Å; F283-Y286 PolarHBondContact O-N 2.89Å |
| 284 | S | 92.7 | Very high | 93.7 | Very high | 71 Ų | 71 | 54 Ų | 54 | 50% | 0.497 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.4 | -28 | -178.8 | -57.8 | 0 | 0 | 0 | 0 | 112.9 | K280 V281 A282 R288 | K280-S284 WeakPolarHBondContact O-CB 3.48Å; K280-S284 PolarHBondContact O-N 2.91Å; K280-S284 VanDerWaalsContact O-N 3.08Å; K280-S284 PolarHBondContact O-OG 3.31Å; V281-S284 PolarHBondContact O-N 3.37Å; A282-S284 VanDerWaalsContact C-N 3.34Å; A282-S284 PolarHBondContact O-N 3.15Å; S284-R288 PolarHBondContact O-NE 3.42Å; S284-R288 PolarHBondContact O-NH2 3.42Å |
| 285 | N | 93.3 | Very high | 93.8 | Very high | 68 Ų | 68 | 54.3 Ų | 54.3 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -99 | -15.7 | -177.8 | -69.5 | -23.3 | 0 | 0 | 0 | 113.3 | V281 A282 F283 R287 R288 S289 | V281-N285 WeakPolarHBondContact O-CB 3.3Å; V281-N285 PolarHBondContact O-N 3.18Å; V281-N285 VanDerWaalsContact O-N 3.08Å; V281-N285 PolarHBondContact O-ND2 3.21Å; A282-N285 PolarHBondContact O-N 2.91Å; A282-N285 VanDerWaalsContact O-N 3.16Å; F283-N285 PolarHBondContact O-N 2.82Å; N285-R287 PolarHBondContact O-N 3.48Å; N285-R288 PolarHBondContact O-N 3.33Å; N285-R288 VanDerWaalsContact O-N 3.14Å; N285-R288 PolarHBondContact OD1-NH2 3.3Å; N285-S289 WeakPolarHBondContact O-CB 3.43Å; N285-S289 PolarHBondContact O-N 3.49Å |
| 286 | Y | 95.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.008 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -54.5 | -58.2 | -168.3 | -168.2 | -103.5 | 0 | 0 | 0 | 113.2 | M182 W187 L225 S227 H261 A282 F283 R288 S289 I290 | M182-Y286 HydrophobicContact CB-CD1 3.8Å; M182-Y286 HydrophobicContact CB-CE1 3.35Å; M182-Y286 HydrophobicContact CE-CD1 4.26Å; M182-Y286 HydrophobicContact CE-CG 4.48Å; M182-Y286 HydrophobicContact CG-CD1 4Å; M182-Y286 HydrophobicContact CG-CE1 3.77Å; M182-Y286 HydrophobicContact CG-CE2 4.41Å; M182-Y286 HydrophobicContact CG-CG 4.42Å; W187-Y286 HydrophobicContact CH2-CD1 4.33Å; L225-Y286 HydrophobicContact CB-CD2 4.11Å; L225-Y286 HydrophobicContact CB-CE2 3.64Å; L225-Y286 HydrophobicContact CD1-CD2 3.68Å; L225-Y286 HydrophobicContact CD1-CE2 4.11Å; L225-Y286 HydrophobicContact CD1-CG 4.34Å; S227-Y286 PolarHBondContact N-OH 3Å; S227-Y286 WeakPolarHBondContact OG-CE1 3.3Å; S227-Y286 PolarHBondContact OG-OH 3.32Å; H261-Y286 HydrophobicContact CB-CD2 4.12Å; H261-Y286 HydrophobicContact CB-CE2 3.73Å; A282-Y286 WeakPolarHBondContact O-CB 3.4Å; A282-Y286 PolarHBondContact O-N 2.92Å; F283-Y286 PolarHBondContact O-N 2.89Å; Y286-R288 VanDerWaalsContact C-N 3.28Å; Y286-R288 PolarHBondContact O-N 3.36Å; Y286-S289 PolarHBondContact O-N 3.24Å; Y286-I290 HydrophobicContact CD1-CD1 3.98Å; Y286-I290 HydrophobicContact CE1-CD1 3.42Å; Y286-I290 VanDerWaalsContact CE1-CD1 3.42Å; Y286-I290 HydrophobicContact CE2-CD1 4.24Å; Y286-I290 PolarHBondContact O-N 2.79Å; Y286-I290 VanDerWaalsContact O-N 3.09Å |
| 287 | R | 93.9 | Very high | 93.4 | Very high | 151 Ų | 151 | 61.8 Ų | 61.8 | 57% | 0.57 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -60.5 | -37.5 | 179.6 | -172.8 | 175.8 | 179.1 | 169 | 0.7 | 112.6 | W187 W229 N285 S291 | W187-R287 HydrophobicContact CZ2-CB 4.33Å; W229-R287 HydrophobicContact CH2-CG 4.22Å; N285-R287 PolarHBondContact O-N 3.48Å; R287-S291 WeakPolarHBondContact O-CB 3.17Å; R287-S291 PolarHBondContact O-N 3.08Å |
| 288 | R | 92.5 | Very high | 93.2 | Very high | 158 Ų | 158 | 60.2 Ų | 60.2 | 60% | 0.596 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -67.7 | -41.9 | 178.5 | -74.5 | -175.8 | -78.9 | 152.6 | -2.4 | 111.6 | S284 N285 Y286 S291 A292 | S284-R288 PolarHBondContact O-NE 3.42Å; S284-R288 PolarHBondContact O-NH2 3.42Å; N285-R288 PolarHBondContact O-N 3.33Å; N285-R288 VanDerWaalsContact O-N 3.14Å; N285-R288 PolarHBondContact OD1-NH2 3.3Å; Y286-R288 VanDerWaalsContact C-N 3.28Å; Y286-R288 PolarHBondContact O-N 3.36Å; R288-S291 PolarHBondContact O-N 3.39Å; R288-A292 WeakPolarHBondContact O-CB 3.26Å; R288-A292 PolarHBondContact O-N 2.81Å |
| 289 | S | 93.7 | Very high | 93.1 | Very high | 31 Ų | 31 | 54.9 Ų | 54.9 | 22% | 0.217 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 178.5 | -172.6 | 0 | 0 | 0 | 0 | 111.8 | N285 Y286 A292 H293 Q821 Y828 | N285-S289 WeakPolarHBondContact O-CB 3.43Å; N285-S289 PolarHBondContact O-N 3.49Å; Y286-S289 PolarHBondContact O-N 3.24Å; S289-A292 PolarHBondContact O-N 2.89Å; S289-H293 PolarHBondContact O-N 2.88Å; S289-Q821 PolarHBondContact OG-OE1 3.14Å; S289-Y828 WeakPolarHBondContact OG-CE2 3.35Å |
| 290 | I | 95.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.5 | -45 | 176.7 | -65.2 | 177.7 | 0 | 0 | 0 | 111.2 | W229 F259 Y286 A292 H293 I294 Y828 | W229-I290 HydrophobicContact CD2-CG2 3.92Å; W229-I290 HydrophobicContact CE3-CG2 4.44Å; W229-I290 HydrophobicContact CG-CG2 4.29Å; W229-I290 HydrophobicContact CH2-CG2 4.42Å; W229-I290 HydrophobicContact CZ2-CB 4.3Å; W229-I290 HydrophobicContact CZ2-CD1 4.31Å; W229-I290 HydrophobicContact CZ2-CG2 3.91Å; F259-I290 HydrophobicContact CB-CD1 3.84Å; F259-I290 HydrophobicContact CB-CG1 4.42Å; F259-I290 HydrophobicContact CD1-CD1 4.25Å; F259-I290 HydrophobicContact CD1-CG1 3.95Å; F259-I290 HydrophobicContact CD1-CG2 4.22Å; F259-I290 HydrophobicContact CD2-CG2 4.36Å; F259-I290 HydrophobicContact CE1-CG1 4.46Å; F259-I290 HydrophobicContact CE1-CG2 4.02Å; F259-I290 HydrophobicContact CE2-CG2 4.18Å; F259-I290 HydrophobicContact CG-CD1 3.95Å; F259-I290 HydrophobicContact CG-CG1 4.18Å; F259-I290 HydrophobicContact CG-CG2 4.39Å; F259-I290 HydrophobicContact CZ-CG2 4Å; Y286-I290 HydrophobicContact CD1-CD1 3.98Å; Y286-I290 HydrophobicContact CE1-CD1 3.42Å; Y286-I290 VanDerWaalsContact CE1-CD1 3.42Å; Y286-I290 HydrophobicContact CE2-CD1 4.24Å; Y286-I290 PolarHBondContact O-N 2.79Å; Y286-I290 VanDerWaalsContact O-N 3.09Å; I290-A292 VanDerWaalsContact C-N 3.31Å; I290-A292 PolarHBondContact O-N 2.8Å; I290-H293 WeakPolarHBondContact O-CB 3.25Å; I290-H293 PolarHBondContact O-N 3.42Å; I290-H293 VanDerWaalsContact O-N 3.1Å; I290-I294 HydrophobicContact CG2-CD1 3.57Å; I290-I294 HydrophobicContact CG2-CG1 4.17Å; I290-I294 WeakPolarHBondContact O-CG1 3.19Å; I290-I294 PolarHBondContact O-N 2.89Å; I290-Y828 HydrophobicContact CG1-CE2 4.03Å; I290-Y828 WeakPolarHBondContact CG1-OH 3.33Å |
| 291 | S | 94.1 | Very high | 92.5 | Very high | 55 Ų | 55 | 56.5 Ų | 56.5 | 39% | 0.385 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -55.9 | -47.7 | 175.7 | -167.1 | 0 | 0 | 0 | 0 | 111.3 | R287 R288 H293 I294 D295 | R287-S291 WeakPolarHBondContact O-CB 3.17Å; R287-S291 PolarHBondContact O-N 3.08Å; R288-S291 PolarHBondContact O-N 3.39Å; S291-H293 VanDerWaalsContact C-N 3.28Å; S291-H293 PolarHBondContact O-N 3.47Å; S291-I294 PolarHBondContact O-N 3.16Å; S291-I294 VanDerWaalsContact O-N 3.15Å; S291-D295 WeakPolarHBondContact O-CB 2.88Å; S291-D295 PolarHBondContact O-N 3.38Å; S291-D295 VanDerWaalsContact O-OD2 3.11Å; S291-D295 PolarHBondContact OG-OD2 2.86Å |
| 292 | A | 93.4 | Very high | 92.5 | Very high | 59 Ų | 59 | 54.1 Ų | 54.1 | 49% | 0.488 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.1 | -36.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R288 S289 I290 R296 | R288-A292 WeakPolarHBondContact O-CB 3.26Å; R288-A292 PolarHBondContact O-N 2.81Å; S289-A292 PolarHBondContact O-N 2.89Å; I290-A292 VanDerWaalsContact C-N 3.31Å; I290-A292 PolarHBondContact O-N 2.8Å; A292-R296 VanDerWaalsContact O-CB 3.23Å; A292-R296 WeakPolarHBondContact O-CB 3.47Å; A292-R296 PolarHBondContact O-N 2.87Å; A292-R296 VanDerWaalsContact O-N 3.12Å |
| 293 | H | 93.6 | Very high | 92.5 | Very high | 15 Ų | 15 | 60.5 Ų | 60.5 | 7% | 0.069 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.2 | -50.7 | 172.6 | 177.6 | 97.9 | 0 | 0 | 0 | 111.5 | F259 S289 I290 S291 D295 R296 V297 Y828 | F259-H293 AromaticContact CE1-CD2 3.81Å; S289-H293 PolarHBondContact O-N 2.88Å; I290-H293 WeakPolarHBondContact O-CB 3.25Å; I290-H293 PolarHBondContact O-N 3.42Å; I290-H293 VanDerWaalsContact O-N 3.1Å; S291-H293 VanDerWaalsContact C-N 3.28Å; S291-H293 PolarHBondContact O-N 3.47Å; H293-D295 VanDerWaalsContact C-N 3.33Å; H293-D295 PolarHBondContact O-N 2.94Å; H293-R296 PolarHBondContact ND1-NH2 3.26Å; H293-R296 VanDerWaalsContact ND1-NH2 3.11Å; H293-R296 WeakPolarHBondContact O-CB 3.43Å; H293-R296 PolarHBondContact O-N 3.48Å; H293-V297 WeakPolarHBondContact O-CG2 3.23Å; H293-V297 PolarHBondContact O-N 3.46Å; H293-Y828 HydrophobicContact CB-CD2 4.19Å |
| 294 | I | 93.6 | Very high | 92.6 | Very high | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.9 | -43.9 | -177.7 | -70.5 | 174.3 | 0 | 0 | 0 | 110.9 | W229 Y231 F259 I290 S291 V297 G298 L299 A302 | W229-I294 HydrophobicContact CD2-CD1 4.26Å; W229-I294 HydrophobicContact CE3-CD1 3.91Å; W229-I294 HydrophobicContact CZ3-CD1 4.44Å; Y231-I294 HydrophobicContact CE1-CD1 4.12Å; Y231-I294 HydrophobicContact CE1-CG1 4.29Å; Y231-I294 HydrophobicContact CE1-CG2 4.28Å; F259-I294 HydrophobicContact CZ-CD1 4.47Å; F259-I294 HydrophobicContact CZ-CG1 4.26Å; I290-I294 HydrophobicContact CG2-CD1 3.57Å; I290-I294 HydrophobicContact CG2-CG1 4.17Å; I290-I294 WeakPolarHBondContact O-CG1 3.19Å; I290-I294 PolarHBondContact O-N 2.89Å; S291-I294 PolarHBondContact O-N 3.16Å; S291-I294 VanDerWaalsContact O-N 3.15Å; I294-V297 WeakPolarHBondContact O-CG2 3.46Å; I294-V297 PolarHBondContact O-N 3.39Å; I294-G298 PolarHBondContact O-N 3.15Å; I294-G298 VanDerWaalsContact O-N 3.08Å; I294-L299 VanDerWaalsContact CG2-C 3.45Å; I294-L299 HydrophobicContact CG2-CB 3.98Å; I294-L299 WeakPolarHBondContact CG2-O 3.46Å; I294-L299 PolarHBondContact O-N 3.25Å; I294-A302 HydrophobicContact CD1-CB 3.59Å; I294-A302 HydrophobicContact CG2-CB 4.03Å |
| 295 | D | 92 | Very high | 92.8 | Very high | 90 Ų | 90 | 57 Ų | 57 | 48% | 0.481 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 176.8 | -64.2 | -28.1 | 0 | 0 | 0 | 110.9 | S291 H293 V297 G298 | S291-D295 WeakPolarHBondContact O-CB 2.88Å; S291-D295 PolarHBondContact O-N 3.38Å; S291-D295 VanDerWaalsContact O-OD2 3.11Å; S291-D295 PolarHBondContact OG-OD2 2.86Å; H293-D295 VanDerWaalsContact C-N 3.33Å; H293-D295 PolarHBondContact O-N 2.94Å; D295-V297 VanDerWaalsContact C-N 3.33Å; D295-V297 PolarHBondContact O-N 3.09Å; D295-G298 PolarHBondContact O-N 3.48Å |
| 296 | R | 89.3 | Confident | 93 | Very high | 144 Ų | 144 | 56.2 Ų | 56.2 | 54% | 0.543 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.8 | -36 | 178.7 | -179 | -176.4 | 65.4 | 173.4 | 5.1 | 113.1 | A292 H293 | A292-R296 VanDerWaalsContact O-CB 3.23Å; A292-R296 WeakPolarHBondContact O-CB 3.47Å; A292-R296 PolarHBondContact O-N 2.87Å; A292-R296 VanDerWaalsContact O-N 3.12Å; H293-R296 PolarHBondContact ND1-NH2 3.26Å; H293-R296 VanDerWaalsContact ND1-NH2 3.11Å; H293-R296 WeakPolarHBondContact O-CB 3.43Å; H293-R296 PolarHBondContact O-N 3.48Å |
| 297 | V | 89.5 | Confident | 93.1 | Very high | 38 Ų | 38 | 56.1 Ų | 56.1 | 23% | 0.23 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -90.1 | -4.1 | 179.2 | -58.4 | 0 | 0 | 0 | 0 | 113.4 | V243 H293 I294 D295 L299 | V243-V297 HydrophobicContact CG1-CB 4.4Å; V243-V297 HydrophobicContact CG1-CG2 4.5Å; V243-V297 HydrophobicContact CG2-CB 4.05Å; H293-V297 WeakPolarHBondContact O-CG2 3.23Å; H293-V297 PolarHBondContact O-N 3.46Å; I294-V297 WeakPolarHBondContact O-CG2 3.46Å; I294-V297 PolarHBondContact O-N 3.39Å; D295-V297 VanDerWaalsContact C-N 3.33Å; D295-V297 PolarHBondContact O-N 3.09Å; V297-L299 HydrophobicContact CG2-CB 4.05Å; V297-L299 HydrophobicContact CG2-CD1 3.81Å; V297-L299 HydrophobicContact CG2-CG 3.86Å |
| 298 | G | 90 | Very high | 93.1 | Very high | 40 Ų | 40 | 50.2 Ų | 50.2 | 41% | 0.412 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 35.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | I294 D295 | I294-G298 PolarHBondContact O-N 3.15Å; I294-G298 VanDerWaalsContact O-N 3.08Å; D295-G298 PolarHBondContact O-N 3.48Å |
| 299 | L | 90.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -106.6 | 15.6 | 178.6 | -73.5 | 178.3 | 0 | 0 | 0 | 113.7 | Y231 T235 V236 V243 V247 I294 V297 | Y231-L299 HydrophobicContact CD1-CB 3.9Å; Y231-L299 WeakPolarHBondContact CD1-O 3.41Å; Y231-L299 HydrophobicContact CE1-CB 3.73Å; Y231-L299 HydrophobicContact CE1-CD1 4.13Å; Y231-L299 HydrophobicContact CE2-CD1 4.5Å; T235-L299 HydrophobicContact CG2-CD2 4.48Å; T235-L299 VanDerWaalsContact CG2-O 3.28Å; T235-L299 WeakPolarHBondContact CG2-O 3.42Å; V236-L299 HydrophobicContact CG2-CD2 4.39Å; V243-L299 HydrophobicContact CG1-CD1 3.58Å; V243-L299 HydrophobicContact CG1-CD2 3.95Å; V243-L299 HydrophobicContact CG1-CG 3.72Å; V247-L299 HydrophobicContact CG2-CD1 4.05Å; V247-L299 HydrophobicContact CG2-CD2 4.47Å; I294-L299 VanDerWaalsContact CG2-C 3.45Å; I294-L299 HydrophobicContact CG2-CB 3.98Å; I294-L299 WeakPolarHBondContact CG2-O 3.46Å; I294-L299 PolarHBondContact O-N 3.25Å; V297-L299 HydrophobicContact CG2-CB 4.05Å; V297-L299 HydrophobicContact CG2-CD1 3.81Å; V297-L299 HydrophobicContact CG2-CG 3.86Å | ||
| 300 | S | 87.8 | Confident | 93.3 | Very high | 61 Ų | 61 | 45.1 Ų | 45.1 | 43% | 0.427 | 26% | 0.262 | S | S | . | . | trans | -77.6 | 140.5 | 175.9 | 61.5 | 0 | 0 | 0 | 0 | 111.6 | T235 | T235-S300 WeakPolarHBondContact CG2-O 3.35Š| ||
| 301 | P | 91.3 | Very high | 93.3 | Very high | 93 Ų | 93 | 45.1 Ų | 45.1 | 60% | 0.604 | 26% | 0.262 | S | S | * | . | S | Bend | cis | -84.3 | 157.2 | -0.1 | 34.1 | -35.5 | 0 | 0 | 0 | 113.2 | ||
| 302 | A | 93 | Very high | 93.4 | Very high | 33 Ų | 33 | 42.6 Ų | 42.6 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 152.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | W229 F230 Y231 I294 | W229-A302 HydrophobicContact CE3-CB 3.86Å; W229-A302 HydrophobicContact CZ3-CB 4.41Å; F230-A302 WeakPolarHBondContact O-CA 3.34Å; Y231-A302 HydrophobicContact CD1-CB 3.79Å; Y231-A302 HydrophobicContact CE1-CB 3.53Å; I294-A302 HydrophobicContact CD1-CB 3.59Å; I294-A302 HydrophobicContact CG2-CB 4.03Å |
| 303 | K | 94.3 | Very high | 93.5 | Very high | 144 Ų | 144 | 39.9 Ų | 39.9 | 63% | 0.626 | 22% | 0.222 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 124.4 | -177.5 | -175.9 | -176 | 175.9 | -172.1 | 0 | 110.9 | W229 F230 | W229-K303 CarbonylContact C-O 3.59Å; W229-K303 WeakPolarHBondContact CA-O 3.37Å; F230-K303 PolarHBondContact N-O 3.02Å; F230-K303 PolarHBondContact O-N 3.36Å |
| 304 | N | 96.4 | Very high | 93.5 | Very high | 8 Ų | 8 | 40.4 Ų | 40.4 | 4% | 0.043 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 145 | 172.1 | -167.7 | 11.8 | 0 | 0 | 0 | 110.7 | M182 L184 R228 W229 | M182-N304 PolarHBondContact O-ND2 2.92Å; L184-N304 WeakPolarHBondContact CD1-O 3.22Å; L184-N304 HydrophobicContact CD2-CB 3.91Å; L184-N304 HydrophobicContact CG-CB 4.19Å; L184-N304 WeakPolarHBondContact CG-O 3.44Å; R228-N304 PolarHBondContact O-OD1 3.36Å; R228-N304 VanDerWaalsContact O-OD1 3.14Å; W229-N304 HydrophobicContact CD2-CB 4.17Å; W229-N304 HydrophobicContact CE3-CB 4.34Å; W229-N304 HydrophobicContact CH2-CB 4.16Å; W229-N304 HydrophobicContact CZ2-CB 3.96Å; W229-N304 HydrophobicContact CZ3-CB 4.34Å |
| 305 | S | 96.6 | Very high | 93.6 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 3% | 0.028 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -72.6 | 159.3 | 176 | 79.7 | 0 | 0 | 0 | 0 | 111.9 | S183 L184 R228 | S183-S305 WeakPolarHBondContact CA-O 3.45Å; S183-S305 WeakPolarHBondContact CB-O 3.44Å; L184-S305 PolarHBondContact N-O 2.97Å; R228-S305 WeakPolarHBondContact O-CB 3.49Å; R228-S305 PolarHBondContact O-N 3.43Å |
| 306 | T | 97.2 | Very high | 93.7 | Very high | 50 Ų | 50 | 36 Ų | 36 | 31% | 0.307 | 20% | 0.201 | S | C | . | . | P | Polyproline II helix | trans | -76.5 | 170.3 | 158.8 | 58 | 0 | 0 | 0 | 0 | 109.8 | L184 E185 A308 Y309 G310 | L184-T306 HydrophobicContact CD1-CG2 3.97Å; E185-T306 WeakPolarHBondContact OE1-CA 3.49Å; E185-T306 WeakPolarHBondContact OE1-CB 3.24Å; E185-T306 WeakPolarHBondContact OE2-CA 3.39Å; T306-A308 VanDerWaalsContact C-N 3.27Å; T306-A308 PolarHBondContact O-N 3.26Å; T306-Y309 PolarHBondContact O-N 3.33Å; T306-Y309 WeakPolarHBondContact OG1-CD2 3.14Å; T306-G310 PolarHBondContact O-N 3.03Å |
| 307 | A | 96.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -60.7 | -39.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q181 S183 E185 Y309 G310 P344 | Q181-A307 PolarHBondContact NE2-O 3.36Å; S183-A307 PolarHBondContact OG-N 2.89Å; E185-A307 VanDerWaalsContact CD-N 3.32Å; E185-A307 PolarHBondContact OE1-N 2.85Å; E185-A307 PolarHBondContact OE2-N 2.72Å; A307-Y309 VanDerWaalsContact C-N 3.34Å; A307-Y309 PolarHBondContact O-N 3.43Å; A307-G310 PolarHBondContact O-N 3.02Å; A307-P344 HydrophobicContact CB-CG 4.23Å |
| 308 | A | 95.5 | Very high | 94 | Very high | 26 Ų | 26 | 27.4 Ų | 27.4 | 22% | 0.215 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -31.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | T306 V348 Q350 | T306-A308 VanDerWaalsContact C-N 3.27Å; T306-A308 PolarHBondContact O-N 3.26Å; A308-V348 WeakPolarHBondContact CA-O 3.36Å; A308-Q350 PolarHBondContact O-N 2.93Å |
| 309 | Y | 94.3 | Very high | 94 | Very high | 79 Ų | 79 | 25.5 Ų | 25.5 | 31% | 0.31 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 17.1 | -178.4 | -65 | -86.9 | 0 | 0 | 0 | 112.9 | T306 A307 Q350 | T306-Y309 PolarHBondContact O-N 3.33Å; T306-Y309 WeakPolarHBondContact OG1-CD2 3.14Å; A307-Y309 VanDerWaalsContact C-N 3.34Å; A307-Y309 PolarHBondContact O-N 3.43Å; Y309-Q350 HydrophobicContact CD1-CB 4.06Å; Y309-Q350 HydrophobicContact CD1-CG 3.98Å; Y309-Q350 HydrophobicContact CE1-CB 4.17Å; Y309-Q350 HydrophobicContact CE1-CG 3.67Å; Y309-Q350 PolarHBondContact OH-NE2 3.34Å |
| 310 | G | 94.6 | Very high | 93.9 | Very high | 4 Ų | 4 | 25.8 Ų | 25.8 | 4% | 0.041 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -76.6 | 178.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | T306 A307 F312 | T306-G310 PolarHBondContact O-N 3.03Å; A307-G310 PolarHBondContact O-N 3.02Å; G310-F312 VanDerWaalsContact C-N 3.27Å; G310-F312 PolarHBondContact O-N 2.81Å |
| 311 | N | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -89.3 | 48.9 | 178.3 | 57 | -52.1 | 0 | 0 | 0 | 112.3 | F226 R228 D258 Y260 E314 T315 | F226-N311 WeakPolarHBondContact CD2-OD1 3.42Å; R228-N311 PolarHBondContact N-OD1 2.68Å; D258-N311 HydrophobicContact CB-CB 4.47Å; D258-N311 VanDerWaalsContact OD2-CB 3.25Å; D258-N311 WeakPolarHBondContact OD2-CB 3.33Å; Y260-N311 VanDerWaalsContact CZ-ND2 3.33Å; Y260-N311 PolarHBondContact OH-ND2 3.48Å; N311-E314 WeakPolarHBondContact CA-OE2 3.45Å; N311-E314 HydrophobicContact CB-CB 4.37Å; N311-T315 PolarHBondContact ND2-OG1 3.2Å; N311-T315 WeakPolarHBondContact O-CB 3.44Å; N311-T315 PolarHBondContact O-N 3.34Å; N311-T315 PolarHBondContact O-OG1 2.93Å | ||
| 312 | F | 96.2 | Very high | 93.2 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.009 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.8 | -50.2 | -171.3 | 172.1 | -99.4 | 0 | 0 | 0 | 113.1 | G310 E314 T315 L316 V341 F349 L372 F386 M417 | G310-F312 VanDerWaalsContact C-N 3.27Å; G310-F312 PolarHBondContact O-N 2.81Å; F312-E314 PolarHBondContact N-OE2 2.94Å; F312-T315 WeakPolarHBondContact O-CB 3.38Å; F312-T315 PolarHBondContact O-N 3.25Å; F312-L316 HydrophobicContact CD1-CD1 4.32Å; F312-L316 HydrophobicContact CE1-CD1 3.63Å; F312-L316 HydrophobicContact CE2-CD1 4.26Å; F312-L316 HydrophobicContact CZ-CD1 3.6Å; F312-L316 HydrophobicContact CZ-CG 4.44Å; F312-L316 PolarHBondContact O-N 2.91Å; F312-L316 VanDerWaalsContact O-N 3.13Å; F312-V341 HydrophobicContact CD2-CG1 3.93Å; F312-V341 HydrophobicContact CE2-CB 4.02Å; F312-V341 HydrophobicContact CE2-CG1 3.69Å; F312-V341 HydrophobicContact CE2-CG2 4.15Å; F312-F349 HydrophobicContact CB-CD1 3.86Å; F312-F349 HydrophobicContact CB-CE1 4.16Å; F312-F349 HydrophobicContact CB-CG 4.38Å; F312-F349 HydrophobicContact CD1-CD1 4.38Å; F312-F349 HydrophobicContact CD1-CD2 4.25Å; F312-F349 HydrophobicContact CD1-CG 4.15Å; F312-F349 HydrophobicContact CD2-CD1 4.28Å; F312-F349 AromaticContact CD2-CE1 3.85Å; F312-F349 HydrophobicContact CD2-CE1 3.85Å; F312-F349 HydrophobicContact CD2-CE2 4.36Å; F312-F349 AromaticContact CD2-CZ 3.89Å; F312-F349 HydrophobicContact CD2-CZ 3.89Å; F312-F349 HydrophobicContact CE1-CD2 4.33Å; F312-F349 HydrophobicContact CE1-CE2 4.42Å; F312-F349 HydrophobicContact CE2-CE1 4.44Å; F312-F349 HydrophobicContact CE2-CE2 4.22Å; F312-F349 HydrophobicContact CE2-CZ 4.01Å; F312-F349 AromaticContact CG-CD1 3.92Å; F312-F349 HydrophobicContact CG-CD1 3.92Å; F312-F349 HydrophobicContact CG-CD2 4.47Å; F312-F349 AromaticContact CG-CE1 3.98Å; F312-F349 HydrophobicContact CG-CE1 3.98Å; F312-F349 HydrophobicContact CG-CG 4.17Å; F312-F349 HydrophobicContact CG-CZ 4.29Å; F312-F349 HydrophobicContact CZ-CE2 4.25Å; F312-F349 HydrophobicContact CZ-CZ 4.5Å; F312-L372 HydrophobicContact CE2-CD1 4.11Å; F312-F386 HydrophobicContact CD1-CE1 4.24Å; F312-F386 AromaticContact CE1-CE1 3.89Å; F312-F386 HydrophobicContact CE1-CE1 3.89Å; F312-F386 AromaticContact CE1-CZ 4Å; F312-F386 HydrophobicContact CE1-CZ 4Å; F312-M417 HydrophobicContact CE1-CE 3.9Å; F312-M417 HydrophobicContact CE1-SD 4.48Å; F312-M417 HydrophobicContact CZ-CE 3.97Å; F312-M417 HydrophobicContact CZ-SD 4.16Å |
| 313 | L | 95.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -72.1 | -38.3 | -178.5 | -68.6 | -175 | 0 | 0 | 0 | 111.9 | T315 L316 N317 V351 L355 A356 T359 F386 | L313-T315 VanDerWaalsContact C-N 3.26Å; L313-T315 PolarHBondContact O-N 3.09Å; L313-L316 HydrophobicContact CD2-CD1 4.48Å; L313-L316 PolarHBondContact O-N 3.44Å; L313-N317 PolarHBondContact O-N 3.43Å; L313-N317 PolarHBondContact O-ND2 2.98Å; L313-V351 HydrophobicContact CD1-CB 3.57Å; L313-V351 HydrophobicContact CD1-CG1 3.54Å; L313-V351 HydrophobicContact CD1-CG2 4.27Å; L313-V351 HydrophobicContact CG-CB 4.27Å; L313-V351 HydrophobicContact CG-CG1 3.66Å; L313-L355 HydrophobicContact CB-CD2 3.69Å; L313-L355 HydrophobicContact CB-CG 3.92Å; L313-L355 HydrophobicContact CD1-CB 4.4Å; L313-L355 HydrophobicContact CD1-CD2 4.37Å; L313-L355 HydrophobicContact CD1-CG 4.1Å; L313-A356 HydrophobicContact CD1-CB 3.88Å; L313-T359 HydrophobicContact CD2-CG2 4.16Å; L313-F386 HydrophobicContact CD2-CE1 4.39Å; L313-F386 HydrophobicContact CD2-CE2 4.03Å; L313-F386 HydrophobicContact CD2-CZ 3.62Å |
| 314 | E | 94.8 | Very high | 91.9 | Very high | 26 Ų | 26 | 15.2 Ų | 15.2 | 12% | 0.121 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -58.6 | -45.5 | 175.3 | -57.8 | 90.3 | 147.3 | 0 | 0 | 109.5 | R228 N311 F312 L316 N317 I318 L355 Y816 F835 | R228-E314 IonicContact CZ-OE1 3.78Å; R228-E314 IonicContact NH1-OE1 3.45Å; R228-E314 IonicContact NH2-OE1 3.55Å; R228-E314 PolarHBondContact NH2-OE1 3.39Å; N311-E314 WeakPolarHBondContact CA-OE2 3.45Å; N311-E314 HydrophobicContact CB-CB 4.37Å; F312-E314 PolarHBondContact N-OE2 2.94Å; E314-L316 PolarHBondContact O-N 3.24Å; E314-N317 PolarHBondContact O-N 2.95Å; E314-I318 WeakPolarHBondContact O-CG1 3.45Å; E314-I318 PolarHBondContact O-N 3.42Å; E314-L355 HydrophobicContact CG-CD2 3.84Å; E314-Y816 HydrophobicContact CB-CD2 4.03Å; E314-Y816 HydrophobicContact CB-CE1 4.06Å; E314-Y816 HydrophobicContact CB-CE2 3.5Å; E314-Y816 VanDerWaalsContact CB-CE2 3.5Å; E314-Y816 VanDerWaalsContact CB-CZ 3.48Å; E314-Y816 HydrophobicContact CG-CD2 3.91Å; E314-Y816 HydrophobicContact CG-CE2 3.53Å; E314-F835 HydrophobicContact CB-CE2 4.38Å; E314-F835 WeakPolarHBondContact O-CZ 3.38Å |
| 315 | T | 95.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.1 | -43.3 | 175.6 | -64.7 | 0 | 0 | 0 | 0 | 112.6 | M179 F226 Y260 N311 F312 L313 N317 I318 P319 | M179-T315 HydrophobicContact CB-CG2 3.92Å; M179-T315 HydrophobicContact CE-CG2 3.33Å; M179-T315 HydrophobicContact CG-CG2 4.02Å; F226-T315 HydrophobicContact CD1-CG2 3.76Å; F226-T315 HydrophobicContact CD2-CG2 4.23Å; F226-T315 WeakPolarHBondContact CD2-OG1 3.35Å; F226-T315 HydrophobicContact CE1-CG2 3.83Å; F226-T315 HydrophobicContact CE2-CG2 4.27Å; F226-T315 HydrophobicContact CG-CG2 3.96Å; F226-T315 HydrophobicContact CZ-CG2 4.07Å; Y260-T315 HydrophobicContact CE1-CG2 4.11Å; Y260-T315 WeakPolarHBondContact CE1-OG1 3.2Å; Y260-T315 WeakPolarHBondContact OH-CA 3.33Å; Y260-T315 PolarHBondContact OH-N 3.2Å; Y260-T315 PolarHBondContact OH-OG1 3.29Å; Y260-T315 VanDerWaalsContact OH-OG1 3.08Å; N311-T315 PolarHBondContact ND2-OG1 3.2Å; N311-T315 WeakPolarHBondContact O-CB 3.44Å; N311-T315 PolarHBondContact O-N 3.34Å; N311-T315 PolarHBondContact O-OG1 2.93Å; F312-T315 WeakPolarHBondContact O-CB 3.38Å; F312-T315 PolarHBondContact O-N 3.25Å; L313-T315 VanDerWaalsContact C-N 3.26Å; L313-T315 PolarHBondContact O-N 3.09Å; T315-N317 VanDerWaalsContact C-N 3.34Å; T315-I318 PolarHBondContact O-N 3.43Å; T315-P319 WeakPolarHBondContact O-CD 3.23Å |
| 316 | L | 93.9 | Very high | 89.8 | Confident | 3 Ų | 3 | 21.3 Ų | 21.3 | 2% | 0.016 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.8 | -33.6 | 177.5 | -78.3 | 177.8 | 0 | 0 | 0 | 113 | F312 L313 E314 I318 P319 L320 A339 V341 T359 V370 W416 M417 | F312-L316 HydrophobicContact CD1-CD1 4.32Å; F312-L316 HydrophobicContact CE1-CD1 3.63Å; F312-L316 HydrophobicContact CE2-CD1 4.26Å; F312-L316 HydrophobicContact CZ-CD1 3.6Å; F312-L316 HydrophobicContact CZ-CG 4.44Å; F312-L316 PolarHBondContact O-N 2.91Å; F312-L316 VanDerWaalsContact O-N 3.13Å; L313-L316 HydrophobicContact CD2-CD1 4.48Å; L313-L316 PolarHBondContact O-N 3.44Å; E314-L316 PolarHBondContact O-N 3.24Å; L316-I318 VanDerWaalsContact C-N 3.3Å; L316-I318 PolarHBondContact O-N 2.96Å; L316-P319 VanDerWaalsContact O-CD 3.27Å; L316-P319 WeakPolarHBondContact O-CD 3.32Å; L316-P319 WeakPolarHBondContact O-CG 3.39Å; L316-L320 WeakPolarHBondContact O-CD1 3.41Å; L316-L320 WeakPolarHBondContact O-CG 3.3Å; L316-A339 HydrophobicContact CD2-CB 4.35Å; L316-V341 HydrophobicContact CD2-CG2 3.47Å; L316-V341 VanDerWaalsContact CD2-CG2 3.47Å; L316-V341 HydrophobicContact CG-CG2 4.19Å; L316-T359 HydrophobicContact CB-CG2 4.31Å; L316-V370 HydrophobicContact CD1-CG1 4.2Å; L316-V370 HydrophobicContact CD2-CG1 3.81Å; L316-W416 HydrophobicContact CD1-CH2 4.09Å; L316-W416 HydrophobicContact CD1-CZ3 4.31Å; L316-M417 HydrophobicContact CD1-CE 4.37Å |
| 317 | N | 92.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -73.2 | -21.4 | -178.8 | -83.9 | -82.3 | 0 | 0 | 0 | 113.9 | L313 E314 T315 L320 N321 T359 R362 F835 | L313-N317 PolarHBondContact O-N 3.43Å; L313-N317 PolarHBondContact O-ND2 2.98Å; E314-N317 PolarHBondContact O-N 2.95Å; T315-N317 VanDerWaalsContact C-N 3.34Å; N317-L320 PolarHBondContact O-N 3.47Å; N317-N321 PolarHBondContact O-N 3.16Å; N317-N321 PolarHBondContact O-OD1 3.35Å; N317-T359 PolarHBondContact ND2-OG1 3.09Å; N317-R362 PolarHBondContact O-NH1 3.25Å; N317-R362 WeakPolarHBondContact OD1-CD 3.3Å; N317-R362 PolarHBondContact OD1-NH1 3.5Å; N317-F835 HydrophobicContact CB-CB 4.42Å; N317-F835 HydrophobicContact CB-CD1 3.57Å; N317-F835 HydrophobicContact CB-CD2 3.68Å; N317-F835 HydrophobicContact CB-CE1 3.53Å; N317-F835 HydrophobicContact CB-CE2 3.65Å; N317-F835 HydrophobicContact CB-CG 3.63Å; N317-F835 HydrophobicContact CB-CZ 3.56Å |
| 318 | I | 91 | Very high | 87.8 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62 | -58.6 | 176.8 | -61.9 | 177.7 | 0 | 0 | 0 | 112 | Y260 E314 T315 L316 L320 N321 Y816 F835 P1154 F1155 | Y260-I318 HydrophobicContact CD1-CD1 4.29Å; Y260-I318 HydrophobicContact CE1-CD1 3.61Å; Y260-I318 HydrophobicContact CE2-CD1 3.97Å; Y260-I318 VanDerWaalsContact CZ-CD1 3.41Å; Y260-I318 WeakPolarHBondContact OH-CD1 3.37Å; E314-I318 WeakPolarHBondContact O-CG1 3.45Å; E314-I318 PolarHBondContact O-N 3.42Å; T315-I318 PolarHBondContact O-N 3.43Å; L316-I318 VanDerWaalsContact C-N 3.3Å; L316-I318 PolarHBondContact O-N 2.96Å; I318-L320 VanDerWaalsContact C-N 3.26Å; I318-L320 PolarHBondContact O-N 2.95Å; I318-N321 WeakPolarHBondContact O-CB 3.46Å; I318-N321 PolarHBondContact O-N 3.34Å; I318-Y816 HydrophobicContact CD1-CE1 4.02Å; I318-Y816 HydrophobicContact CG1-CE1 4.4Å; I318-F835 HydrophobicContact CG1-CE1 4.3Å; I318-F835 HydrophobicContact CG1-CZ 4.21Å; I318-P1154 HydrophobicContact CB-CG 4.38Å; I318-P1154 HydrophobicContact CG2-CB 3.54Å; I318-P1154 HydrophobicContact CG2-CG 3.14Å; I318-F1155 HydrophobicContact CB-CE2 4.02Å; I318-F1155 HydrophobicContact CB-CZ 3.99Å; I318-F1155 HydrophobicContact CD1-CE1 4.37Å; I318-F1155 HydrophobicContact CD1-CZ 4.03Å; I318-F1155 HydrophobicContact CG2-CD2 3.79Å; I318-F1155 HydrophobicContact CG2-CE1 4.06Å; I318-F1155 HydrophobicContact CG2-CE2 3.21Å; I318-F1155 HydrophobicContact CG2-CG 4.45Å; I318-F1155 HydrophobicContact CG2-CZ 3.36Å |
| 319 | P | 89.5 | Confident | 86.9 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.1 | -29.1 | 176.8 | 26.1 | -34.1 | 0 | 0 | 0 | 112.6 | Y177 T315 L316 N321 F322 F323 | Y177-P319 HydrophobicContact CD1-CB 4.11Å; Y177-P319 HydrophobicContact CD2-CB 3.93Å; Y177-P319 HydrophobicContact CE1-CB 4.33Å; Y177-P319 HydrophobicContact CE2-CB 4.15Å; Y177-P319 HydrophobicContact CG-CB 3.9Å; T315-P319 WeakPolarHBondContact O-CD 3.23Å; L316-P319 VanDerWaalsContact O-CD 3.27Å; L316-P319 WeakPolarHBondContact O-CD 3.32Å; L316-P319 WeakPolarHBondContact O-CG 3.39Å; P319-N321 PolarHBondContact O-N 2.91Å; P319-F322 WeakPolarHBondContact O-CA 3.43Å; P319-F322 WeakPolarHBondContact O-CB 3.42Å; P319-F322 PolarHBondContact O-N 3.48Å; P319-F323 HydrophobicContact CB-CE1 4.49Å; P319-F323 HydrophobicContact CB-CE2 4.06Å; P319-F323 HydrophobicContact CB-CZ 3.94Å; P319-F323 WeakPolarHBondContact O-CD1 3.26Å; P319-F323 VanDerWaalsContact O-CG 3.31Å; P319-F323 WeakPolarHBondContact O-CG 3.06Å; P319-F323 PolarHBondContact O-N 3.39Å |
| 320 | L | 89 | Confident | 86.2 | Confident | 5 Ų | 5 | 21.7 Ų | 21.7 | 3% | 0.026 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60 | -32 | 174.2 | -71.4 | 169.9 | 0 | 0 | 0 | 112.4 | L316 N317 I318 F322 F323 T324 T359 R362 C366 | L316-L320 WeakPolarHBondContact O-CD1 3.41Å; L316-L320 WeakPolarHBondContact O-CG 3.3Å; N317-L320 PolarHBondContact O-N 3.47Å; I318-L320 VanDerWaalsContact C-N 3.26Å; I318-L320 PolarHBondContact O-N 2.95Å; L320-F322 PolarHBondContact O-N 3.01Å; L320-F323 HydrophobicContact CD2-CD2 4.08Å; L320-F323 PolarHBondContact O-N 3.13Å; L320-T324 WeakPolarHBondContact O-CG2 3.5Å; L320-T324 PolarHBondContact O-N 2.91Å; L320-T359 HydrophobicContact CD1-CG2 4.28Å; L320-R362 HydrophobicContact CD1-CB 4.04Å; L320-R362 PolarHBondContact O-NH2 3.11Å; L320-C366 HydrophobicContact CD2-CB 4.48Å |
| 321 | N | 85 | Confident | 85.6 | Confident | 20 Ų | 20 | 22.4 Ų | 22.4 | 11% | 0.107 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.1 | -33.4 | 173 | -77.1 | 6.8 | 0 | 0 | 0 | 112.2 | N317 I318 P319 R362 T833 V834 | N317-N321 PolarHBondContact O-N 3.16Å; N317-N321 PolarHBondContact O-OD1 3.35Å; I318-N321 WeakPolarHBondContact O-CB 3.46Å; I318-N321 PolarHBondContact O-N 3.34Å; P319-N321 PolarHBondContact O-N 2.91Å; N321-R362 VanDerWaalsContact N-NH2 3.13Å; N321-R362 PolarHBondContact OD1-NH1 3.18Å; N321-R362 VanDerWaalsContact OD1-NH1 3.1Å; N321-R362 PolarHBondContact OD1-NH2 2.96Å; N321-T833 PolarHBondContact ND2-OG1 3.01Å; N321-V834 PolarHBondContact ND2-O 3.45Å |
| 322 | F | 79.5 | Confident | 85.2 | Confident | 63 Ų | 63 | 22.9 Ų | 22.9 | 28% | 0.276 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -77.8 | -35.9 | 176.5 | -175.6 | -94.9 | 0 | 0 | 0 | 111.7 | L175 P319 L320 K325 D1153 | L175-F322 HydrophobicContact CD2-CD1 3.76Å; L175-F322 HydrophobicContact CD2-CE1 3.4Å; P319-F322 WeakPolarHBondContact O-CA 3.43Å; P319-F322 WeakPolarHBondContact O-CB 3.42Å; P319-F322 PolarHBondContact O-N 3.48Å; L320-F322 PolarHBondContact O-N 3.01Å; F322-K325 PolarHBondContact O-N 3.11Å; F322-D1153 HydrophobicContact CD2-CB 4.48Å |
| 323 | F | 82.5 | Confident | 84.8 | Confident | 3 Ų | 3 | 23.7 Ų | 23.7 | 1% | 0.013 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -68.6 | -34.1 | -177 | -65.5 | -15.2 | 0 | 0 | 0 | 113.8 | L175 Y177 P319 L320 K325 H326 Q337 T368 | L175-F323 HydrophobicContact CD2-CD1 4.39Å; L175-F323 HydrophobicContact CD2-CE1 3.84Å; L175-F323 HydrophobicContact CG-CE1 4.32Å; Y177-F323 AromaticContact CD2-CE1 3.98Å; Y177-F323 HydrophobicContact CD2-CE1 3.98Å; Y177-F323 AromaticContact CD2-CZ 3.74Å; Y177-F323 HydrophobicContact CD2-CZ 3.74Å; Y177-F323 AromaticContact CE2-CE1 3.86Å; Y177-F323 HydrophobicContact CE2-CE1 3.86Å; Y177-F323 HydrophobicContact CE2-CZ 4.09Å; P319-F323 HydrophobicContact CB-CE1 4.49Å; P319-F323 HydrophobicContact CB-CE2 4.06Å; P319-F323 HydrophobicContact CB-CZ 3.94Å; P319-F323 WeakPolarHBondContact O-CD1 3.26Å; P319-F323 VanDerWaalsContact O-CG 3.31Å; P319-F323 WeakPolarHBondContact O-CG 3.06Å; P319-F323 PolarHBondContact O-N 3.39Å; L320-F323 HydrophobicContact CD2-CD2 4.08Å; L320-F323 PolarHBondContact O-N 3.13Å; F323-K325 VanDerWaalsContact C-N 3.33Å; F323-K325 PolarHBondContact O-N 3.01Å; F323-H326 WeakPolarHBondContact O-CB 3.49Å; F323-H326 PolarHBondContact O-N 3.05Å; F323-Q337 VanDerWaalsContact CB-OE1 3.25Å; F323-Q337 HydrophobicContact CD1-CB 4.15Å; F323-Q337 HydrophobicContact CD1-CG 3.68Å; F323-Q337 HydrophobicContact CD2-CB 4.26Å; F323-Q337 HydrophobicContact CE1-CB 3.98Å; F323-Q337 HydrophobicContact CE1-CG 3.83Å; F323-Q337 HydrophobicContact CE2-CB 4.11Å; F323-Q337 HydrophobicContact CG-CB 4.3Å; F323-Q337 VanDerWaalsContact CG-CD 3.42Å; F323-Q337 HydrophobicContact CG-CG 4.08Å; F323-Q337 VanDerWaalsContact CG-OE1 3.25Å; F323-Q337 HydrophobicContact CZ-CB 3.97Å; F323-Q337 HydrophobicContact CZ-CG 4.34Å; F323-T368 HydrophobicContact CD2-CG2 3.59Å; F323-T368 WeakPolarHBondContact CD2-OG1 3.32Å; F323-T368 HydrophobicContact CE2-CG2 3.47Å; F323-T368 VanDerWaalsContact CE2-CG2 3.47Å |
| 324 | T | 77 | Confident | 84.5 | Confident | 24 Ų | 24 | 25.2 Ų | 25.2 | 15% | 0.147 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.9 | -33.1 | 179.2 | 68.8 | 0 | 0 | 0 | 0 | 112.7 | L320 H326 C366 D838 | L320-T324 WeakPolarHBondContact O-CG2 3.5Å; L320-T324 PolarHBondContact O-N 2.91Å; T324-H326 PolarHBondContact O-N 3.28Å; T324-H326 VanDerWaalsContact O-N 3.1Å; T324-H326 PolarHBondContact O-ND1 2.63Å; T324-C366 WeakPolarHBondContact CG2-SG 3.44Å; T324-D838 WeakPolarHBondContact CB-OD2 3.49Å; T324-D838 PolarHBondContact OG1-OD2 3.26Å |
| 325 | K | 74.7 | Confident | 84.3 | Confident | 58 Ų | 58 | 24.4 Ų | 24.4 | 25% | 0.252 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 27.4 | -179.8 | -58.6 | -174.6 | -176.3 | -173.8 | 0 | 114.2 | F322 F323 Y327 L328 D1151 | F322-K325 PolarHBondContact O-N 3.11Å; F323-K325 VanDerWaalsContact C-N 3.33Å; F323-K325 PolarHBondContact O-N 3.01Å; K325-Y327 PolarHBondContact O-N 3.42Å; K325-L328 HydrophobicContact CB-CD1 4.47Å; K325-L328 PolarHBondContact O-N 3.22Å; K325-D1151 PolarHBondContact NZ-O 3.26Å; K325-D1151 IonicContact NZ-OD1 2.7Å; K325-D1151 PolarHBondContact NZ-OD1 3.23Å |
| 326 | H | 74.5 | Confident | 84 | Confident | 81 Ų | 81 | 25.9 Ų | 25.9 | 38% | 0.375 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -14.2 | -176.4 | 68 | -77.5 | 0 | 0 | 0 | 115.8 | F323 T324 L328 R330 | F323-H326 WeakPolarHBondContact O-CB 3.49Å; F323-H326 PolarHBondContact O-N 3.05Å; T324-H326 PolarHBondContact O-N 3.28Å; T324-H326 VanDerWaalsContact O-N 3.1Å; T324-H326 PolarHBondContact O-ND1 2.63Å; H326-L328 VanDerWaalsContact C-N 3.35Å; H326-R330 PolarHBondContact O-NH1 3.47Å |
| 327 | Y | 75 | Confident | 83.8 | Confident | 57 Ų | 57 | 27.7 Ų | 27.7 | 22% | 0.224 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -17.9 | 176.2 | 63.5 | -84.9 | 0 | 0 | 0 | 113 | K325 D868 F870 E871 | K325-Y327 PolarHBondContact O-N 3.42Å; Y327-D868 HydrophobicContact CE2-CB 4.29Å; Y327-D868 WeakPolarHBondContact CE2-OD1 3.33Å; Y327-D868 PolarHBondContact OH-OD1 3.39Å; Y327-D868 VanDerWaalsContact OH-OD1 3.06Å; Y327-F870 WeakPolarHBondContact O-CA 3.39Å; Y327-E871 PolarHBondContact O-N 3.49Å |
| 328 | L | 77.4 | Confident | 83.9 | Confident | 49 Ų | 49 | 27.7 Ų | 27.7 | 26% | 0.257 | 14% | 0.14 | S | C | . | . | B | Isolated β-bridge | trans | -93.9 | 151.4 | 175.1 | -59 | -178.5 | 0 | 0 | 0 | 110.6 | K325 H326 R330 E871 I1141 | K325-L328 HydrophobicContact CB-CD1 4.47Å; K325-L328 PolarHBondContact O-N 3.22Å; H326-L328 VanDerWaalsContact C-N 3.35Å; L328-R330 PolarHBondContact O-N 3.31Å; L328-R330 VanDerWaalsContact O-N 3.16Å; L328-E871 HydrophobicContact CD2-CB 4.36Å; L328-I1141 HydrophobicContact CB-CD1 4Å; L328-I1141 HydrophobicContact CD2-CD1 3.67Å; L328-I1141 HydrophobicContact CG-CD1 4.31Å |
| 329 | N | 75.7 | Confident | 84.1 | Confident | 45 Ų | 45 | 27.8 Ų | 27.8 | 24% | 0.241 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 50.6 | 42.4 | 175.3 | -59.8 | -35.8 | 0 | 0 | 0 | 113 | S331 E871 P1140 I1141 M1229 | N329-S331 PolarHBondContact O-N 2.89Å; N329-E871 PolarHBondContact N-O 2.94Å; N329-P1140 WeakPolarHBondContact OD1-CA 3.47Å; N329-I1141 WeakPolarHBondContact OD1-CG1 3.34Å; N329-I1141 PolarHBondContact OD1-N 3.32Å; N329-M1229 HydrophobicContact CB-CE 4.03Å; N329-M1229 HydrophobicContact CB-SD 4.06Å; N329-M1229 VanDerWaalsContact O-CE 3.23Å; N329-M1229 WeakPolarHBondContact O-CE 3.3Å |
| 330 | R | 79.6 | Confident | 84.4 | Confident | 13 Ų | 13 | 27.8 Ų | 27.8 | 5% | 0.049 | 14% | 0.141 | C | C | . | . | trans | -59.7 | 123.4 | -171.6 | -171.2 | 58.6 | 152.3 | -110 | -28.6 | 111.8 | Y113 H326 L328 F332 | Y113-R330 VanDerWaalsContact CE2-CZ 3.41Å; Y113-R330 VanDerWaalsContact CZ-NE 3.31Å; Y113-R330 VanDerWaalsContact OH-CZ 3.26Å; Y113-R330 PolarHBondContact OH-NH2 2.68Å; H326-R330 PolarHBondContact O-NH1 3.47Å; L328-R330 PolarHBondContact O-N 3.31Å; L328-R330 VanDerWaalsContact O-N 3.16Å; R330-F332 HydrophobicContact CG-CE1 4.26Å | ||
| 331 | S | 82.7 | Confident | 84.9 | Confident | 20 Ų | 20 | 27.6 Ų | 27.6 | 14% | 0.14 | 14% | 0.14 | C | C | . | . | trans | -86.4 | 133.7 | 167.2 | 176.5 | 0 | 0 | 0 | 0 | 110.1 | N329 E333 | N329-S331 PolarHBondContact O-N 2.89Å; S331-E333 PolarHBondContact OG-N 2.84Å | ||
| 332 | F | 86.9 | Confident | 85.5 | Confident | 10 Ų | 10 | 26.6 Ų | 26.6 | 4% | 0.044 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -94.9 | 3.3 | 176 | -57.9 | -70.9 | 0 | 0 | 0 | 113 | Q112 Y113 R330 W1110 S1115 V1118 | Q112-F332 CarbonylContact C-O 3.51Å; Q112-F332 WeakPolarHBondContact CA-O 3.42Å; Y113-F332 PolarHBondContact N-O 2.94Å; Y113-F332 VanDerWaalsContact N-O 3.1Å; R330-F332 HydrophobicContact CG-CE1 4.26Å; F332-W1110 HydrophobicContact CE1-CH2 4.1Å; F332-W1110 HydrophobicContact CE1-CZ2 4.05Å; F332-W1110 AromaticContact CZ-CH2 3.71Å; F332-W1110 HydrophobicContact CZ-CH2 3.71Å; F332-W1110 HydrophobicContact CZ-CZ2 4.14Å; F332-S1115 WeakPolarHBondContact CD1-O 3.33Å; F332-V1118 HydrophobicContact CE1-CB 3.9Å; F332-V1118 HydrophobicContact CE1-CG1 3.73Å; F332-V1118 HydrophobicContact CE2-CG1 4.35Å; F332-V1118 HydrophobicContact CZ-CB 4.16Å; F332-V1118 HydrophobicContact CZ-CG1 3.48Å; F332-V1118 VanDerWaalsContact CZ-CG1 3.48Å |
| 333 | E | 87.1 | Confident | 86.4 | Confident | 19 Ų | 19 | 23.6 Ų | 23.6 | 9% | 0.089 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -102.1 | -6.6 | -174.8 | -62.5 | 173.9 | 114.9 | 0 | 0 | 113 | E111 Q112 F220 S331 L1232 R1233 | E111-E333 CarbonylContact C-O 3.59Å; E111-E333 VanDerWaalsContact C-O 3.26Å; E111-E333 WeakPolarHBondContact CA-O 3.44Å; Q112-E333 PolarHBondContact N-O 3.43Å; F220-E333 HydrophobicContact CE2-CB 4.22Å; F220-E333 HydrophobicContact CZ-CB 4.13Å; S331-E333 PolarHBondContact OG-N 2.84Å; E333-L1232 PolarHBondContact OE1-N 3.12Å; E333-R1233 HydrophobicContact CG-CB 4.03Å; E333-R1233 WeakPolarHBondContact OE1-CA 3.44Å; E333-R1233 WeakPolarHBondContact OE1-CB 3.4Å; E333-R1233 PolarHBondContact OE1-N 3.04Å |
| 334 | R | 90 | Very high | 87 | Confident | 32 Ų | 32 | 23.6 Ų | 23.6 | 12% | 0.121 | 12% | 0.122 | C | C | . | . | trans | -146.2 | 154.2 | -173.8 | 66.3 | -176.8 | -179.5 | -145.8 | 10.6 | 112.1 | Q112 Y113 S173 F220 N266 | Q112-R334 CarbonylContact O-C 3.56Å; Y113-R334 WeakPolarHBondContact CB-O 3.5Å; Y113-R334 WeakPolarHBondContact CD2-O 3.39Å; S173-R334 CarbonylContact O-C 3.59Å; S173-R334 WeakPolarHBondContact O-CA 3.35Å; S173-R334 WeakPolarHBondContact O-CB 3.45Å; F220-R334 VanDerWaalsContact CB-NH1 3.35Å; F220-R334 HydrophobicContact CD2-CB 3.97Å; F220-R334 HydrophobicContact CD2-CG 4.3Å; F220-R334 HydrophobicContact CE2-CB 3.98Å; F220-R334 HydrophobicContact CE2-CG 4.39Å; N266-R334 PolarHBondContact OD1-NH1 3.49Å; N266-R334 PolarHBondContact OD1-NH2 2.79Å | ||
| 335 | T | 91.5 | Very high | 87.9 | Confident | 10 Ų | 10 | 23 Ų | 23 | 6% | 0.061 | 12% | 0.12 | C | C | . | . | trans | -136.6 | 145.6 | 169.9 | -46.2 | 0 | 0 | 0 | 0 | 109.4 | F109 Q112 Y113 V114 S171 S173 A174 | F109-T335 VanDerWaalsContact CE2-CB 3.45Å; F109-T335 HydrophobicContact CE2-CG2 4.04Å; F109-T335 WeakPolarHBondContact CE2-OG1 3.27Å; F109-T335 HydrophobicContact CZ-CG2 3.86Å; Q112-T335 PolarHBondContact O-OG1 3.41Å; Y113-T335 VanDerWaalsContact CA-OG1 3.23Å; Y113-T335 WeakPolarHBondContact CA-OG1 3.47Å; Y113-T335 HydrophobicContact CE2-CG2 4.48Å; V114-T335 PolarHBondContact N-OG1 3.29Å; V114-T335 WeakPolarHBondContact O-CG2 3.45Å; S171-T335 WeakPolarHBondContact CB-O 3.44Å; S171-T335 PolarHBondContact OG-O 2.88Å; S173-T335 PolarHBondContact O-N 3.45Å; S173-T335 VanDerWaalsContact O-O 3.1Å; A174-T335 WeakPolarHBondContact CA-O 3.45Å | ||
| 336 | G | 88.1 | Confident | 88.7 | Confident | 31 Ų | 31 | 22.5 Ų | 22.5 | 32% | 0.32 | 12% | 0.124 | S | C | . | . | trans | 85.1 | 161.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L175 | L175-G336 PolarHBondContact N-O 2.76Š| ||
| 337 | Q | 90.7 | Very high | 89.7 | Confident | 40 Ų | 40 | 18.6 Ų | 18.6 | 19% | 0.187 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 146.8 | -176.8 | -66.8 | 159.9 | -8.2 | 0 | 0 | 107.4 | L175 F323 T368 P369 | L175-Q337 CarbonylContact O-C 3.58Å; L175-Q337 VanDerWaalsContact O-CA 3.29Å; L175-Q337 WeakPolarHBondContact O-CA 3.5Å; F323-Q337 VanDerWaalsContact CB-OE1 3.25Å; F323-Q337 HydrophobicContact CD1-CB 4.15Å; F323-Q337 HydrophobicContact CD1-CG 3.68Å; F323-Q337 HydrophobicContact CD2-CB 4.26Å; F323-Q337 HydrophobicContact CE1-CB 3.98Å; F323-Q337 HydrophobicContact CE1-CG 3.83Å; F323-Q337 HydrophobicContact CE2-CB 4.11Å; F323-Q337 HydrophobicContact CG-CB 4.3Å; F323-Q337 VanDerWaalsContact CG-CD 3.42Å; F323-Q337 HydrophobicContact CG-CG 4.08Å; F323-Q337 VanDerWaalsContact CG-OE1 3.25Å; F323-Q337 HydrophobicContact CZ-CB 3.97Å; F323-Q337 HydrophobicContact CZ-CG 4.34Å; Q337-T368 HydrophobicContact CB-CG2 4.37Å; Q337-T368 PolarHBondContact OE1-OG1 2.89Å; Q337-P369 WeakPolarHBondContact O-CD 3.41Å; Q337-P369 VanDerWaalsContact O-CG 3.25Å; Q337-P369 WeakPolarHBondContact O-CG 3.33Å |
| 338 | L | 93.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 128.1 | 176.7 | 175.2 | 64.6 | 0 | 0 | 0 | 109.3 | L175 V176 Y177 I340 P369 D371 P692 | L175-L338 PolarHBondContact O-N 2.76Å; V176-L338 WeakPolarHBondContact CA-O 3.47Å; V176-L338 HydrophobicContact CG1-CD2 4.33Å; V176-L338 HydrophobicContact CG2-CB 4.29Å; V176-L338 HydrophobicContact CG2-CD2 4.46Å; Y177-L338 PolarHBondContact N-O 3.16Å; L338-I340 HydrophobicContact CD1-CG1 4.48Å; L338-I340 HydrophobicContact CD2-CD1 3.85Å; L338-I340 HydrophobicContact CD2-CG1 3.85Å; L338-I340 HydrophobicContact CG-CD1 4.38Å; L338-I340 HydrophobicContact CG-CG1 3.87Å; L338-P369 HydrophobicContact CD1-CB 4.06Å; L338-P369 HydrophobicContact CD1-CG 3.88Å; L338-D371 WeakPolarHBondContact CD1-OD2 3.36Å; L338-P692 HydrophobicContact CB-CB 4.29Å; L338-P692 HydrophobicContact CD2-CB 4.37Å |
| 339 | A | 95.3 | Very high | 91.5 | Very high | 3 Ų | 3 | 15.6 Ų | 15.6 | 3% | 0.025 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 114.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | L316 P369 V370 D371 | L316-A339 HydrophobicContact CD2-CB 4.35Å; A339-P369 PolarHBondContact N-O 2.97Å; A339-P369 VanDerWaalsContact N-O 3.13Å; A339-V370 HydrophobicContact CB-CG2 4.37Å; A339-V370 WeakPolarHBondContact O-CA 3.23Å; A339-D371 PolarHBondContact O-N 2.9Å |
| 340 | I | 97.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 120.3 | 174.7 | -54.7 | 171.3 | 0 | 0 | 0 | 107.1 | V176 Y177 I178 M179 L338 I342 D371 V373 L689 | V176-I340 HydrophobicContact CG1-CD1 3.74Å; V176-I340 HydrophobicContact CG1-CG1 4.28Å; Y177-I340 PolarHBondContact O-N 3.33Å; I178-I340 WeakPolarHBondContact CA-O 3.45Å; I178-I340 HydrophobicContact CG1-CD1 4.24Å; M179-I340 PolarHBondContact N-O 3.37Å; L338-I340 HydrophobicContact CD1-CG1 4.48Å; L338-I340 HydrophobicContact CD2-CD1 3.85Å; L338-I340 HydrophobicContact CD2-CG1 3.85Å; L338-I340 HydrophobicContact CG-CD1 4.38Å; L338-I340 HydrophobicContact CG-CG1 3.87Å; I340-I342 HydrophobicContact CG2-CG1 4.26Å; I340-D371 CarbonylContact C-O 3.57Å; I340-D371 WeakPolarHBondContact CA-O 3.38Å; I340-V373 HydrophobicContact CG2-CG2 4.19Å; I340-L689 HydrophobicContact CD1-CD2 3.75Å; I340-L689 HydrophobicContact CG1-CD2 3.78Å; I340-L689 HydrophobicContact CG2-CD2 4.16Å |
| 341 | V | 97.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 121.6 | 172.2 | -173.5 | 0 | 0 | 0 | 0 | 109 | M179 F226 F312 L316 D371 L372 V373 | M179-V341 HydrophobicContact CB-CG2 4.31Å; M179-V341 CarbonylContact O-C 3.5Å; M179-V341 WeakPolarHBondContact O-CA 3.24Å; F226-V341 HydrophobicContact CE1-CG1 4.25Å; F226-V341 HydrophobicContact CZ-CG1 4.09Å; F312-V341 HydrophobicContact CD2-CG1 3.93Å; F312-V341 HydrophobicContact CE2-CB 4.02Å; F312-V341 HydrophobicContact CE2-CG1 3.69Å; F312-V341 HydrophobicContact CE2-CG2 4.15Å; L316-V341 HydrophobicContact CD2-CG2 3.47Å; L316-V341 VanDerWaalsContact CD2-CG2 3.47Å; L316-V341 HydrophobicContact CG-CG2 4.19Å; V341-D371 PolarHBondContact N-O 3.04Å; V341-L372 HydrophobicContact CB-CD1 4.33Å; V341-L372 HydrophobicContact CG1-CD1 4.4Å; V341-L372 CarbonylContact O-C 3.58Å; V341-L372 WeakPolarHBondContact O-CA 3.35Å; V341-V373 PolarHBondContact O-N 3.21Å |
| 342 | I | 98.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 119.5 | 175.2 | -49.9 | 177.3 | 0 | 0 | 0 | 107.9 | I178 M179 I180 Q181 F204 L205 I340 V373 L375 | I178-I342 HydrophobicContact CG2-CD1 3.81Å; I178-I342 HydrophobicContact CG2-CG1 4.36Å; M179-I342 PolarHBondContact O-N 2.81Å; I180-I342 HydrophobicContact CD1-CD1 4.31Å; I180-I342 HydrophobicContact CG1-CB 4.5Å; I180-I342 HydrophobicContact CG1-CD1 4.09Å; I180-I342 HydrophobicContact CG2-CB 4.37Å; Q181-I342 PolarHBondContact N-O 3.17Å; F204-I342 HydrophobicContact CD1-CD1 3.62Å; F204-I342 HydrophobicContact CD1-CG1 4.41Å; F204-I342 HydrophobicContact CE1-CD1 3.44Å; F204-I342 VanDerWaalsContact CE1-CD1 3.44Å; F204-I342 HydrophobicContact CE1-CG1 4Å; L205-I342 HydrophobicContact CD2-CD1 3.95Å; I340-I342 HydrophobicContact CG2-CG1 4.26Å; I342-V373 WeakPolarHBondContact CA-O 3.28Å; I342-L375 HydrophobicContact CG2-CD1 3.71Å; I342-L375 HydrophobicContact CG2-CD2 4.15Å; I342-L375 HydrophobicContact CG2-CG 3.87Å |
| 343 | S | 97.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 139.4 | 179.4 | -177.2 | 0 | 0 | 0 | 0 | 110.9 | Q181 G345 V373 C374 L375 | Q181-S343 PolarHBondContact OE1-OG 2.96Å; S343-G345 PolarHBondContact O-N 3.45Å; S343-G345 PolarHBondContact OG-N 3Å; S343-V373 PolarHBondContact N-O 2.94Å; S343-C374 WeakPolarHBondContact O-CA 3.34Å; S343-L375 PolarHBondContact O-N 2.89Å |
| 344 | P | 96.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 19.1 Ų | 19.1 | 2% | 0.019 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -72.6 | -18 | 169.3 | 29.3 | -29.2 | 0 | 0 | 0 | 112.6 | S183 E185 M186 Y196 A307 G376 | S183-P344 WeakPolarHBondContact OG-CG 3.36Å; E185-P344 HydrophobicContact CB-CB 3.65Å; E185-P344 HydrophobicContact CB-CG 3.83Å; M186-P344 HydrophobicContact CE-CB 3.44Å; M186-P344 VanDerWaalsContact CE-CB 3.44Å; M186-P344 HydrophobicContact CE-CG 3.67Å; M186-P344 HydrophobicContact CG-CB 4.45Å; M186-P344 HydrophobicContact CG-CG 4.14Å; Y196-P344 HydrophobicContact CG-CB 4.27Å; A307-P344 HydrophobicContact CB-CG 4.23Å; P344-G376 WeakPolarHBondContact O-CA 3.34Å; P344-G376 PolarHBondContact O-N 2.87Å |
| 345 | G | 94.7 | Very high | 93.2 | Very high | 11 Ų | 11 | 17.9 Ų | 17.9 | 11% | 0.113 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -73.4 | 172.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | S343 G347 C374 | S343-G345 PolarHBondContact O-N 3.45Å; S343-G345 PolarHBondContact OG-N 3Å; G345-G347 VanDerWaalsContact C-N 3.29Å; G345-G347 PolarHBondContact O-N 3.08Å; G345-C374 WeakPolarHBondContact O-CB 3.46Å; G345-C374 PolarHBondContact O-SG 3.46Å |
| 346 | S | 92.5 | Very high | 93.2 | Very high | 47 Ų | 47 | 17.4 Ų | 17.4 | 33% | 0.329 | 11% | 0.109 | S | C | . | . | trans | -84.3 | 7.3 | -178.6 | -61.9 | 0 | 0 | 0 | 0 | 115 | E377 Y421 | S346-E377 VanDerWaalsContact CB-O 3.31Å; S346-E377 WeakPolarHBondContact CB-O 3.46Å; S346-E377 PolarHBondContact OG-O 2.74Å; S346-Y421 PolarHBondContact O-OH 2.75Å | ||
| 347 | G | 94.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | S | Bend | trans | 94.8 | 18.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | G345 C374 P384 L385 | G345-G347 VanDerWaalsContact C-N 3.29Å; G345-G347 PolarHBondContact O-N 3.08Å; G347-C374 PolarHBondContact N-SG 3.06Å; G347-P384 CarbonylContact O-C 3.55Å; G347-P384 WeakPolarHBondContact O-CA 3.41Å; G347-L385 PolarHBondContact O-N 3.1Å |
| 348 | V | 95.4 | Very high | 93.2 | Very high | 40 Ų | 40 | 15.8 Ų | 15.8 | 24% | 0.242 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 127.2 | 175.1 | -175.7 | 0 | 0 | 0 | 0 | 109.5 | A308 V383 L385 V387 | A308-V348 WeakPolarHBondContact CA-O 3.36Å; V348-V383 HydrophobicContact CG2-CG1 4.49Å; V348-L385 CarbonylContact C-O 3.52Å; V348-L385 WeakPolarHBondContact CA-O 3.18Å; V348-L385 HydrophobicContact CG1-CB 4.42Å; V348-L385 HydrophobicContact CG1-CD2 4.47Å; V348-L385 HydrophobicContact CG2-CB 4.21Å; V348-V387 HydrophobicContact CG1-CG2 3.7Å |
| 349 | F | 95.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.009 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 133.3 | -177 | -56.3 | -80.9 | 0 | 0 | 0 | 111.9 | F312 V351 L372 L385 F386 V387 | F312-F349 HydrophobicContact CB-CD1 3.86Å; F312-F349 HydrophobicContact CB-CE1 4.16Å; F312-F349 HydrophobicContact CB-CG 4.38Å; F312-F349 HydrophobicContact CD1-CD1 4.38Å; F312-F349 HydrophobicContact CD1-CD2 4.25Å; F312-F349 HydrophobicContact CD1-CG 4.15Å; F312-F349 HydrophobicContact CD2-CD1 4.28Å; F312-F349 AromaticContact CD2-CE1 3.85Å; F312-F349 HydrophobicContact CD2-CE1 3.85Å; F312-F349 HydrophobicContact CD2-CE2 4.36Å; F312-F349 AromaticContact CD2-CZ 3.89Å; F312-F349 HydrophobicContact CD2-CZ 3.89Å; F312-F349 HydrophobicContact CE1-CD2 4.33Å; F312-F349 HydrophobicContact CE1-CE2 4.42Å; F312-F349 HydrophobicContact CE2-CE1 4.44Å; F312-F349 HydrophobicContact CE2-CE2 4.22Å; F312-F349 HydrophobicContact CE2-CZ 4.01Å; F312-F349 AromaticContact CG-CD1 3.92Å; F312-F349 HydrophobicContact CG-CD1 3.92Å; F312-F349 HydrophobicContact CG-CD2 4.47Å; F312-F349 AromaticContact CG-CE1 3.98Å; F312-F349 HydrophobicContact CG-CE1 3.98Å; F312-F349 HydrophobicContact CG-CG 4.17Å; F312-F349 HydrophobicContact CG-CZ 4.29Å; F312-F349 HydrophobicContact CZ-CE2 4.25Å; F312-F349 HydrophobicContact CZ-CZ 4.5Å; F349-V351 HydrophobicContact CB-CG1 4.02Å; F349-L372 HydrophobicContact CE2-CD1 4.43Å; F349-L372 HydrophobicContact CE2-CD2 3.66Å; F349-L372 HydrophobicContact CZ-CD1 4.08Å; F349-L372 HydrophobicContact CZ-CD2 4.11Å; F349-L385 PolarHBondContact N-O 3.31Å; F349-F386 HydrophobicContact CB-CD1 4.12Å; F349-F386 HydrophobicContact CB-CE1 4.33Å; F349-F386 HydrophobicContact CD2-CD1 4.4Å; F349-F386 HydrophobicContact CD2-CE1 4.14Å; F349-F386 CarbonylContact O-C 3.58Å; F349-F386 WeakPolarHBondContact O-CA 3.38Å; F349-V387 PolarHBondContact O-N 3.02Å |
| 350 | Q | 93.5 | Very high | 92.9 | Very high | 27 Ų | 27 | 17.2 Ų | 17.2 | 13% | 0.126 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 121.4 | 168.6 | -63.1 | -132.8 | -4.5 | 0 | 0 | 109.2 | R252 A308 Y309 V387 | R252-Q350 VanDerWaalsContact CZ-OE1 3.32Å; A308-Q350 PolarHBondContact O-N 2.93Å; Y309-Q350 HydrophobicContact CD1-CB 4.06Å; Y309-Q350 HydrophobicContact CD1-CG 3.98Å; Y309-Q350 HydrophobicContact CE1-CB 4.17Å; Y309-Q350 HydrophobicContact CE1-CG 3.67Å; Y309-Q350 PolarHBondContact OH-NE2 3.34Å; Q350-V387 HydrophobicContact CG-CB 4.37Å |
| 351 | V | 92 | Very high | 92.4 | Very high | 13 Ų | 13 | 18.5 Ų | 18.5 | 8% | 0.079 | 11% | 0.105 | C | C | . | . | trans | -138.4 | 161.7 | -169.9 | -67.9 | 0 | 0 | 0 | 0 | 111.2 | L313 F349 A356 F386 V387 F388 | L313-V351 HydrophobicContact CD1-CB 3.57Å; L313-V351 HydrophobicContact CD1-CG1 3.54Å; L313-V351 HydrophobicContact CD1-CG2 4.27Å; L313-V351 HydrophobicContact CG-CB 4.27Å; L313-V351 HydrophobicContact CG-CG1 3.66Å; F349-V351 HydrophobicContact CB-CG1 4.02Å; V351-A356 HydrophobicContact CG2-CB 4.33Å; V351-F386 HydrophobicContact CG1-CD1 4.29Å; V351-F386 HydrophobicContact CG1-CE1 4.47Å; V351-F386 HydrophobicContact CG2-CB 3.59Å; V351-F386 HydrophobicContact CG2-CD1 4.15Å; V351-F386 HydrophobicContact CG2-CD2 3.99Å; V351-F386 HydrophobicContact CG2-CG 3.65Å; V351-V387 PolarHBondContact N-O 3.39Å; V351-F388 HydrophobicContact CG2-CD1 4.04Å; V351-F388 HydrophobicContact CG2-CE1 3.6Å; V351-F388 WeakPolarHBondContact O-CD1 3.38Å | ||
| 352 | E | 87.7 | Confident | 92 | Very high | 76 Ų | 76 | 18.6 Ų | 18.6 | 36% | 0.355 | 11% | 0.105 | S | C | . | . | trans | -83.5 | 134.2 | 171.6 | -167.6 | -174.7 | 159 | 0 | 0 | 110.2 | S354 L355 A356 | E352-S354 VanDerWaalsContact C-N 3.35Å; E352-S354 PolarHBondContact O-N 3.01Å; E352-S354 PolarHBondContact OE1-OG 3.33Å; E352-L355 HydrophobicContact CB-CB 4.18Å; E352-L355 PolarHBondContact O-N 2.74Å; E352-A356 WeakPolarHBondContact O-CB 3.42Å; E352-A356 PolarHBondContact O-N 3.26Å | ||
| 353 | P | 86.4 | Confident | 91.5 | Very high | 42 Ų | 42 | 18.8 Ų | 18.8 | 27% | 0.273 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -55.9 | -45.3 | 179.3 | -24.9 | 31.4 | 0 | 0 | 0 | 113.7 | L355 A356 M357 F388 V581 | P353-L355 PolarHBondContact O-N 3.19Å; P353-A356 PolarHBondContact O-N 3.17Å; P353-M357 WeakPolarHBondContact O-CG 3.5Å; P353-M357 PolarHBondContact O-N 3.25Å; P353-F388 HydrophobicContact CB-CD1 4.18Å; P353-F388 HydrophobicContact CB-CE1 4.11Å; P353-F388 HydrophobicContact CB-CZ 4.49Å; P353-F388 HydrophobicContact CG-CB 4.18Å; P353-F388 HydrophobicContact CG-CD1 3.58Å; P353-F388 HydrophobicContact CG-CE1 4.03Å; P353-F388 HydrophobicContact CG-CG 3.88Å; P353-V581 HydrophobicContact CB-CG2 4.01Å |
| 354 | S | 86.1 | Confident | 90.9 | Very high | 23 Ų | 23 | 19.4 Ų | 19.4 | 16% | 0.161 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.9 | -46.3 | -178.8 | 69.7 | 0 | 0 | 0 | 0 | 111.4 | E352 M357 L358 | E352-S354 VanDerWaalsContact C-N 3.35Å; E352-S354 PolarHBondContact O-N 3.01Å; E352-S354 PolarHBondContact OE1-OG 3.33Å; S354-M357 PolarHBondContact O-N 2.81Å; S354-L358 WeakPolarHBondContact O-CB 3.18Å; S354-L358 PolarHBondContact O-N 3.05Å |
| 355 | L | 91.1 | Very high | 90.2 | Very high | 6 Ų | 6 | 20.7 Ų | 20.7 | 3% | 0.031 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -69.8 | -38.1 | 178.6 | -175.2 | 61.2 | 0 | 0 | 0 | 111.6 | L313 E314 E352 P353 L358 T359 F835 | L313-L355 HydrophobicContact CB-CD2 3.69Å; L313-L355 HydrophobicContact CB-CG 3.92Å; L313-L355 HydrophobicContact CD1-CB 4.4Å; L313-L355 HydrophobicContact CD1-CD2 4.37Å; L313-L355 HydrophobicContact CD1-CG 4.1Å; E314-L355 HydrophobicContact CG-CD2 3.84Å; E352-L355 HydrophobicContact CB-CB 4.18Å; E352-L355 PolarHBondContact O-N 2.74Å; P353-L355 PolarHBondContact O-N 3.19Å; L355-L358 PolarHBondContact O-N 2.8Å; L355-T359 WeakPolarHBondContact O-CB 3.38Å; L355-T359 PolarHBondContact O-N 2.61Å; L355-T359 PolarHBondContact O-OG1 2.63Å; L355-F835 HydrophobicContact CD1-CD2 4.1Å |
| 356 | A | 91.5 | Very high | 89.5 | Confident | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.008 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.6 | -45.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L313 V351 E352 P353 T359 K360 F386 F388 | L313-A356 HydrophobicContact CD1-CB 3.88Å; V351-A356 HydrophobicContact CG2-CB 4.33Å; E352-A356 WeakPolarHBondContact O-CB 3.42Å; E352-A356 PolarHBondContact O-N 3.26Å; P353-A356 PolarHBondContact O-N 3.17Å; A356-T359 PolarHBondContact O-N 3.25Å; A356-K360 WeakPolarHBondContact O-CB 3.45Å; A356-K360 PolarHBondContact O-N 3.04Å; A356-F386 HydrophobicContact CB-CD2 4.16Å; A356-F386 HydrophobicContact CB-CE2 4.35Å; A356-F388 HydrophobicContact CB-CE1 4.05Å; A356-F388 HydrophobicContact CB-CZ 4.22Å |
| 357 | M | 88.5 | Confident | 89.1 | Confident | 32 Ų | 32 | 20 Ų | 20 | 16% | 0.158 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68.1 | -42.1 | 177.6 | -65.8 | -58.9 | 113.3 | 0 | 0 | 112.3 | P353 S354 K360 Q361 I412 F811 | P353-M357 WeakPolarHBondContact O-CG 3.5Å; P353-M357 PolarHBondContact O-N 3.25Å; S354-M357 PolarHBondContact O-N 2.81Å; M357-K360 PolarHBondContact O-N 2.99Å; M357-Q361 PolarHBondContact O-N 3.48Å; M357-Q361 VanDerWaalsContact O-N 3.11Å; M357-I412 HydrophobicContact CE-CD1 3.77Å; M357-F811 HydrophobicContact CB-CE1 3.93Å |
| 358 | L | 90.6 | Very high | 88.6 | Confident | 4 Ų | 4 | 20.2 Ų | 20.2 | 2% | 0.021 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.9 | -47.7 | 174.1 | 176.7 | 61.6 | 0 | 0 | 0 | 111.3 | S354 L355 K360 Q361 R362 F811 C814 F835 | S354-L358 WeakPolarHBondContact O-CB 3.18Å; S354-L358 PolarHBondContact O-N 3.05Å; L355-L358 PolarHBondContact O-N 2.8Å; L358-K360 PolarHBondContact O-N 3.41Å; L358-Q361 PolarHBondContact O-N 3.29Å; L358-R362 HydrophobicContact CD1-CG 3.98Å; L358-R362 HydrophobicContact CG-CG 4.37Å; L358-R362 VanDerWaalsContact O-CG 3.24Å; L358-R362 WeakPolarHBondContact O-CG 3.48Å; L358-R362 PolarHBondContact O-N 3.44Å; L358-F811 HydrophobicContact CB-CD1 4.15Å; L358-F811 HydrophobicContact CD1-CB 3.91Å; L358-F811 HydrophobicContact CD1-CD1 4.34Å; L358-F811 HydrophobicContact CD1-CG 4.07Å; L358-C814 HydrophobicContact CD2-CB 4.28Å; L358-F835 HydrophobicContact CD2-CB 3.9Å |
| 359 | T | 92.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.7 | -44.7 | -179 | -49.1 | 0 | 0 | 0 | 0 | 111.3 | L313 L316 N317 L320 L355 A356 Q361 R362 S363 W416 | L313-T359 HydrophobicContact CD2-CG2 4.16Å; L316-T359 HydrophobicContact CB-CG2 4.31Å; N317-T359 PolarHBondContact ND2-OG1 3.09Å; L320-T359 HydrophobicContact CD1-CG2 4.28Å; L355-T359 WeakPolarHBondContact O-CB 3.38Å; L355-T359 PolarHBondContact O-N 2.61Å; L355-T359 PolarHBondContact O-OG1 2.63Å; A356-T359 PolarHBondContact O-N 3.25Å; T359-Q361 PolarHBondContact O-N 3.01Å; T359-R362 PolarHBondContact O-N 3.05Å; T359-S363 WeakPolarHBondContact O-CB 3.43Å; T359-S363 PolarHBondContact O-N 2.85Å; T359-W416 HydrophobicContact CG2-CH2 3.68Å; T359-W416 HydrophobicContact CG2-CZ2 4.26Å; T359-W416 HydrophobicContact CG2-CZ3 4.36Å |
| 360 | K | 90.3 | Very high | 88.1 | Confident | 33 Ų | 33 | 19.8 Ų | 19.8 | 14% | 0.143 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -51 | -56.7 | 173.7 | 170 | -171.8 | 170.7 | -155 | 0 | 110 | A356 M357 L358 R362 S363 I364 W416 D602 | A356-K360 WeakPolarHBondContact O-CB 3.45Å; A356-K360 PolarHBondContact O-N 3.04Å; M357-K360 PolarHBondContact O-N 2.99Å; L358-K360 PolarHBondContact O-N 3.41Å; K360-R362 VanDerWaalsContact C-N 3.34Å; K360-R362 PolarHBondContact O-N 3.19Å; K360-S363 PolarHBondContact O-N 2.79Å; K360-I364 HydrophobicContact CD-CD1 4.37Å; K360-I364 HydrophobicContact CG-CD1 3.64Å; K360-I364 VanDerWaalsContact O-CG1 3.31Å; K360-I364 WeakPolarHBondContact O-CG1 3.22Å; K360-I364 PolarHBondContact O-N 2.98Å; K360-W416 HydrophobicContact CB-CG 4.49Å; K360-W416 HydrophobicContact CG-CG 4.26Å; K360-D602 IonicContact NZ-OD2 3.52Å |
| 361 | Q | 87 | Confident | 88.2 | Confident | 27 Ų | 27 | 18.6 Ų | 18.6 | 13% | 0.126 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62 | -44.9 | -174.7 | -164.9 | 65 | 53.3 | 0 | 0 | 110.9 | M357 L358 T359 S363 I364 D365 F811 L837 | M357-Q361 PolarHBondContact O-N 3.48Å; M357-Q361 VanDerWaalsContact O-N 3.11Å; L358-Q361 PolarHBondContact O-N 3.29Å; T359-Q361 PolarHBondContact O-N 3.01Å; Q361-S363 PolarHBondContact O-N 2.9Å; Q361-I364 PolarHBondContact O-N 2.88Å; Q361-D365 PolarHBondContact NE2-OD1 3.45Å; Q361-D365 WeakPolarHBondContact O-CB 3.43Å; Q361-D365 PolarHBondContact O-N 3.26Å; Q361-F811 HydrophobicContact CB-CE2 4.28Å; Q361-F811 HydrophobicContact CB-CZ 4.18Å; Q361-F811 HydrophobicContact CG-CE2 4.2Å; Q361-F811 HydrophobicContact CG-CZ 4.49Å; Q361-L837 HydrophobicContact CB-CD1 3.98Å; Q361-L837 HydrophobicContact CG-CD1 3.61Å; Q361-L837 HydrophobicContact CG-CD2 4.02Å; Q361-L837 HydrophobicContact CG-CG 4.49Å |
| 362 | R | 88.8 | Confident | 88.4 | Confident | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.015 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.3 | -41.6 | 179.3 | -67.4 | -178.2 | 74.3 | -153.9 | -2.2 | 113.1 | N317 L320 N321 L358 T359 K360 I364 C366 Q836 L837 | N317-R362 PolarHBondContact O-NH1 3.25Å; N317-R362 WeakPolarHBondContact OD1-CD 3.3Å; N317-R362 PolarHBondContact OD1-NH1 3.5Å; L320-R362 HydrophobicContact CD1-CB 4.04Å; L320-R362 PolarHBondContact O-NH2 3.11Å; N321-R362 VanDerWaalsContact N-NH2 3.13Å; N321-R362 PolarHBondContact OD1-NH1 3.18Å; N321-R362 VanDerWaalsContact OD1-NH1 3.1Å; N321-R362 PolarHBondContact OD1-NH2 2.96Å; L358-R362 HydrophobicContact CD1-CG 3.98Å; L358-R362 HydrophobicContact CG-CG 4.37Å; L358-R362 VanDerWaalsContact O-CG 3.24Å; L358-R362 WeakPolarHBondContact O-CG 3.48Å; L358-R362 PolarHBondContact O-N 3.44Å; T359-R362 PolarHBondContact O-N 3.05Å; K360-R362 VanDerWaalsContact C-N 3.34Å; K360-R362 PolarHBondContact O-N 3.19Å; R362-I364 VanDerWaalsContact C-N 3.34Å; R362-C366 WeakPolarHBondContact O-CB 3.29Å; R362-C366 PolarHBondContact O-N 2.83Å; R362-C366 VanDerWaalsContact O-N 3.11Å; R362-C366 PolarHBondContact O-SG 2.79Å; R362-Q836 PolarHBondContact NE-O 2.82Å; R362-L837 HydrophobicContact CG-CD1 3.85Å |
| 363 | S | 88.6 | Confident | 88.9 | Confident | 4 Ų | 4 | 14.4 Ų | 14.4 | 3% | 0.028 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.4 | -42.5 | 177.8 | -166.4 | 0 | 0 | 0 | 0 | 111.5 | T359 K360 Q361 G367 T368 | T359-S363 WeakPolarHBondContact O-CB 3.43Å; T359-S363 PolarHBondContact O-N 2.85Å; K360-S363 PolarHBondContact O-N 2.79Å; Q361-S363 PolarHBondContact O-N 2.9Å; S363-G367 PolarHBondContact O-N 3.4Å; S363-T368 PolarHBondContact O-N 2.85Å; S363-T368 VanDerWaalsContact O-N 3.08Å; S363-T368 PolarHBondContact OG-O 2.89Å |
| 364 | I | 85.4 | Confident | 89.4 | Confident | 12 Ų | 12 | 12.4 Ų | 12.4 | 6% | 0.062 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -67.3 | -53.8 | 178.9 | -70 | 168.7 | 0 | 0 | 0 | 109.7 | K360 Q361 R362 C366 G367 W416 D602 R605 N785 | K360-I364 HydrophobicContact CD-CD1 4.37Å; K360-I364 HydrophobicContact CG-CD1 3.64Å; K360-I364 VanDerWaalsContact O-CG1 3.31Å; K360-I364 WeakPolarHBondContact O-CG1 3.22Å; K360-I364 PolarHBondContact O-N 2.98Å; Q361-I364 PolarHBondContact O-N 2.88Å; R362-I364 VanDerWaalsContact C-N 3.34Å; I364-C366 VanDerWaalsContact C-N 3.31Å; I364-C366 PolarHBondContact O-N 2.79Å; I364-G367 WeakPolarHBondContact O-CA 3.17Å; I364-G367 PolarHBondContact O-N 3.42Å; I364-W416 HydrophobicContact CD1-CB 4.27Å; I364-W416 HydrophobicContact CG1-CB 4.13Å; I364-D602 HydrophobicContact CD1-CB 3.92Å; I364-D602 HydrophobicContact CG2-CB 4.41Å; I364-R605 VanDerWaalsContact CG2-NH1 3.34Å; I364-R605 PolarHBondContact O-NH1 2.78Å; I364-N785 WeakPolarHBondContact CG2-OD1 3.4Å |
| 365 | D | 81.5 | Confident | 89.9 | Confident | 30 Ų | 30 | 11.3 Ų | 11.3 | 16% | 0.16 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -54.2 | -45.8 | -178.7 | -69.1 | 11.6 | 0 | 0 | 0 | 112 | Q361 G367 N785 L837 | Q361-D365 PolarHBondContact NE2-OD1 3.45Å; Q361-D365 WeakPolarHBondContact O-CB 3.43Å; Q361-D365 PolarHBondContact O-N 3.26Å; D365-G367 PolarHBondContact O-N 3.44Å; D365-N785 VanDerWaalsContact CG-ND2 3.32Å; D365-N785 PolarHBondContact OD1-ND2 2.88Å; D365-L837 WeakPolarHBondContact OD2-CD1 3.37Å |
| 366 | C | 80.3 | Confident | 90 | Very high | 33 Ų | 33 | 11.3 Ų | 11.3 | 22% | 0.223 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -11.3 | 177.7 | -61.2 | 0 | 0 | 0 | 0 | 113.5 | L320 T324 R362 I364 T368 | L320-C366 HydrophobicContact CD2-CB 4.48Å; T324-C366 WeakPolarHBondContact CG2-SG 3.44Å; R362-C366 WeakPolarHBondContact O-CB 3.29Å; R362-C366 PolarHBondContact O-N 2.83Å; R362-C366 VanDerWaalsContact O-N 3.11Å; R362-C366 PolarHBondContact O-SG 2.79Å; I364-C366 VanDerWaalsContact C-N 3.31Å; I364-C366 PolarHBondContact O-N 2.79Å; C366-T368 VanDerWaalsContact CB-OG1 3.26Å; C366-T368 WeakPolarHBondContact CB-OG1 3.15Å; C366-T368 PolarHBondContact O-N 2.86Å |
| 367 | G | 83.3 | Confident | 89.9 | Confident | 11 Ų | 11 | 16 Ų | 16 | 11% | 0.113 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 34.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112 | S363 I364 D365 P369 | S363-G367 PolarHBondContact O-N 3.4Å; I364-G367 WeakPolarHBondContact O-CA 3.17Å; I364-G367 PolarHBondContact O-N 3.42Å; D365-G367 PolarHBondContact O-N 3.44Å; G367-P369 WeakPolarHBondContact O-CD 3.5Å |
| 368 | T | 83.9 | Confident | 90 | Very high | 5 Ų | 5 | 16.7 Ų | 16.7 | 3% | 0.031 | 9% | 0.09 | C | C | . | . | trans | -92.4 | 118.1 | -174 | -61.3 | 0 | 0 | 0 | 0 | 110.1 | F323 Q337 S363 C366 | F323-T368 HydrophobicContact CD2-CG2 3.59Å; F323-T368 WeakPolarHBondContact CD2-OG1 3.32Å; F323-T368 HydrophobicContact CE2-CG2 3.47Å; F323-T368 VanDerWaalsContact CE2-CG2 3.47Å; Q337-T368 HydrophobicContact CB-CG2 4.37Å; Q337-T368 PolarHBondContact OE1-OG1 2.89Å; S363-T368 PolarHBondContact O-N 2.85Å; S363-T368 VanDerWaalsContact O-N 3.08Å; S363-T368 PolarHBondContact OG-O 2.89Å; C366-T368 VanDerWaalsContact CB-OG1 3.26Å; C366-T368 WeakPolarHBondContact CB-OG1 3.15Å; C366-T368 PolarHBondContact O-N 2.86Å | ||
| 369 | P | 87.6 | Confident | 90 | Very high | 26 Ų | 26 | 17.5 Ų | 17.5 | 17% | 0.169 | 10% | 0.095 | C | C | . | . | trans | -67.7 | 134.3 | 171 | 27.6 | -33.2 | 0 | 0 | 0 | 110.8 | Q337 L338 A339 G367 | Q337-P369 WeakPolarHBondContact O-CD 3.41Å; Q337-P369 VanDerWaalsContact O-CG 3.25Å; Q337-P369 WeakPolarHBondContact O-CG 3.33Å; L338-P369 HydrophobicContact CD1-CB 4.06Å; L338-P369 HydrophobicContact CD1-CG 3.88Å; A339-P369 PolarHBondContact N-O 2.97Å; A339-P369 VanDerWaalsContact N-O 3.13Å; G367-P369 WeakPolarHBondContact O-CD 3.5Å | ||
| 370 | V | 93.2 | Very high | 89.7 | Confident | 7 Ų | 7 | 25.6 Ų | 25.6 | 4% | 0.042 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 118.4 | 174.9 | 180 | 0 | 0 | 0 | 0 | 108.3 | L316 A339 W416 M417 N418 | L316-V370 HydrophobicContact CD1-CG1 4.2Å; L316-V370 HydrophobicContact CD2-CG1 3.81Å; A339-V370 HydrophobicContact CB-CG2 4.37Å; A339-V370 WeakPolarHBondContact O-CA 3.23Å; V370-W416 HydrophobicContact CB-CZ3 4.37Å; V370-W416 HydrophobicContact CG1-CZ3 4.44Å; V370-W416 HydrophobicContact CG2-CE3 4.44Å; V370-W416 HydrophobicContact CG2-CZ3 4.13Å; V370-M417 HydrophobicContact CB-CB 3.94Å; V370-M417 HydrophobicContact CG1-CB 3.97Å; V370-M417 WeakPolarHBondContact O-CA 3.39Å; V370-N418 PolarHBondContact O-N 3.3Å |
| 371 | D | 95.4 | Very high | 89.5 | Confident | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.011 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 112.6 | 177.1 | -85.3 | -57.6 | 0 | 0 | 0 | 109.8 | L338 A339 I340 V341 N418 S688 L689 | L338-D371 WeakPolarHBondContact CD1-OD2 3.36Å; A339-D371 PolarHBondContact O-N 2.9Å; I340-D371 CarbonylContact C-O 3.57Å; I340-D371 WeakPolarHBondContact CA-O 3.38Å; V341-D371 PolarHBondContact N-O 3.04Å; D371-N418 VanDerWaalsContact OD1-CB 3.31Å; D371-N418 WeakPolarHBondContact OD1-CB 3.27Å; D371-N418 PolarHBondContact OD1-ND2 3.03Å; D371-S688 WeakPolarHBondContact OD2-CB 3.32Å; D371-S688 PolarHBondContact OD2-OG 3.38Å; D371-L689 HydrophobicContact CB-CD2 3.69Å |
| 372 | L | 97.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 117.5 | 170.4 | 173.4 | 63.7 | 0 | 0 | 0 | 109.8 | F312 V341 F349 P384 N418 T419 S420 | F312-L372 HydrophobicContact CE2-CD1 4.11Å; V341-L372 HydrophobicContact CB-CD1 4.33Å; V341-L372 HydrophobicContact CG1-CD1 4.4Å; V341-L372 CarbonylContact O-C 3.58Å; V341-L372 WeakPolarHBondContact O-CA 3.35Å; F349-L372 HydrophobicContact CE2-CD1 4.43Å; F349-L372 HydrophobicContact CE2-CD2 3.66Å; F349-L372 HydrophobicContact CZ-CD1 4.08Å; F349-L372 HydrophobicContact CZ-CD2 4.11Å; L372-P384 HydrophobicContact CD2-CB 4.16Å; L372-N418 PolarHBondContact N-O 3.46Å; L372-T419 HydrophobicContact CB-CG2 4.49Å; L372-T419 HydrophobicContact CD2-CG2 3.98Å; L372-T419 HydrophobicContact CG-CG2 4.25Å; L372-T419 CarbonylContact O-C 3.45Å; L372-T419 WeakPolarHBondContact O-CA 3.14Å; L372-S420 PolarHBondContact O-N 2.93Å |
| 373 | V | 97.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 107.2 | 174.2 | -177.2 | 0 | 0 | 0 | 0 | 109.2 | F204 I340 V341 I342 S343 S420 L689 | F204-V373 HydrophobicContact CD2-CG1 3.96Å; F204-V373 HydrophobicContact CE2-CB 4.42Å; F204-V373 HydrophobicContact CE2-CG1 3.68Å; F204-V373 HydrophobicContact CE2-CG2 4.1Å; F204-V373 HydrophobicContact CG-CG1 4.49Å; F204-V373 HydrophobicContact CZ-CB 4.3Å; F204-V373 HydrophobicContact CZ-CG1 4Å; F204-V373 HydrophobicContact CZ-CG2 3.87Å; I340-V373 HydrophobicContact CG2-CG2 4.19Å; V341-V373 PolarHBondContact O-N 3.21Å; I342-V373 WeakPolarHBondContact CA-O 3.28Å; S343-V373 PolarHBondContact N-O 2.94Å; V373-S420 CarbonylContact C-O 3.54Å; V373-S420 WeakPolarHBondContact CA-O 3.37Å; V373-L689 HydrophobicContact CG2-CD1 4.3Å |
| 374 | C | 97.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 128.4 | 174.8 | -73.7 | 0 | 0 | 0 | 0 | 110.4 | S343 G345 G347 S420 Y421 Y422 | S343-C374 WeakPolarHBondContact O-CA 3.34Å; G345-C374 WeakPolarHBondContact O-CB 3.46Å; G345-C374 PolarHBondContact O-SG 3.46Å; G347-C374 PolarHBondContact N-SG 3.06Å; C374-S420 PolarHBondContact N-O 3.16Å; C374-Y421 HydrophobicContact CB-CD1 3.47Å; C374-Y421 VanDerWaalsContact CB-CD1 3.47Å; C374-Y421 HydrophobicContact CB-CE1 3.41Å; C374-Y421 VanDerWaalsContact CB-CE1 3.41Å; C374-Y421 HydrophobicContact CB-CG 4.29Å; C374-Y421 WeakPolarHBondContact O-CA 3.09Å; C374-Y422 PolarHBondContact O-N 3.12Å |
| 375 | L | 96.1 | Very high | 90 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -89.1 | -25.7 | 172.6 | -57 | 167.8 | 0 | 0 | 0 | 111.6 | M186 Y196 K199 C200 F204 I342 S343 Y422 | M186-L375 HydrophobicContact CE-CD1 3.37Å; Y196-L375 HydrophobicContact CD1-CB 3.78Å; Y196-L375 HydrophobicContact CE1-CB 4.36Å; Y196-L375 WeakPolarHBondContact CE1-O 3.47Å; K199-L375 HydrophobicContact CD-CB 4.32Å; K199-L375 HydrophobicContact CG-CD2 4.49Å; K199-L375 PolarHBondContact NZ-O 2.91Å; C200-L375 HydrophobicContact CB-CD1 3.8Å; F204-L375 HydrophobicContact CB-CD2 4.42Å; I342-L375 HydrophobicContact CG2-CD1 3.71Å; I342-L375 HydrophobicContact CG2-CD2 4.15Å; I342-L375 HydrophobicContact CG2-CG 3.87Å; S343-L375 PolarHBondContact O-N 2.89Å; L375-Y422 HydrophobicContact CD2-CD1 4.07Å | ||
| 376 | G | 92.7 | Very high | 90.6 | Very high | 5 Ų | 5 | 23.2 Ų | 23.2 | 5% | 0.052 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -65.8 | 176.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113 | P344 Y421 | P344-G376 WeakPolarHBondContact O-CA 3.34Å; P344-G376 PolarHBondContact O-N 2.87Å; G376-Y421 WeakPolarHBondContact O-CD1 3.34Å |
| 377 | E | 90.2 | Very high | 91.1 | Very high | 100 Ų | 100 | 21.9 Ų | 21.9 | 47% | 0.467 | 11% | 0.111 | S | C | . | . | P | Polyproline II helix | trans | -76.9 | 146.3 | 179.1 | -57.5 | -157.1 | 126.8 | 0 | 0 | 112.3 | K191 S346 P379 | K191-E377 WeakPolarHBondContact CD-OE1 3.12Å; K191-E377 WeakPolarHBondContact CE-OE1 3.45Å; K191-E377 IonicContact NZ-OE1 2.87Å; K191-E377 PolarHBondContact NZ-OE1 3.27Å; S346-E377 VanDerWaalsContact CB-O 3.31Å; S346-E377 WeakPolarHBondContact CB-O 3.46Å; S346-E377 PolarHBondContact OG-O 2.74Å; E377-P379 WeakPolarHBondContact O-CD 3.36Å |
| 378 | Q | 90.6 | Very high | 91.3 | Very high | 46 Ų | 46 | 21.6 Ų | 21.6 | 22% | 0.215 | 11% | 0.106 | C | C | . | . | P | Polyproline II helix | trans | -65.9 | 123.2 | 170.6 | -176.1 | -177.8 | -26.2 | 0 | 0 | 109.7 | Y421 W676 I680 | Q378-Y421 VanDerWaalsContact CA-CE1 3.41Å; Q378-Y421 HydrophobicContact CB-CD1 3.89Å; Q378-Y421 HydrophobicContact CB-CD2 3.82Å; Q378-Y421 HydrophobicContact CB-CE1 3.94Å; Q378-Y421 HydrophobicContact CB-CE2 3.86Å; Q378-Y421 HydrophobicContact CB-CG 3.84Å; Q378-Y421 HydrophobicContact CG-CD2 3.91Å; Q378-Y421 HydrophobicContact CG-CE1 4.46Å; Q378-Y421 HydrophobicContact CG-CE2 3.63Å; Q378-Y421 HydrophobicContact CG-CG 4.45Å; Q378-W676 HydrophobicContact CG-CH2 4.48Å; Q378-I680 PolarHBondContact NE2-O 3.25Å |
| 379 | P | 90.3 | Very high | 90.8 | Very high | 21 Ų | 21 | 22.9 Ų | 22.9 | 14% | 0.136 | 11% | 0.114 | C | C | . | . | P | Polyproline II helix | trans | -68.2 | 160.9 | 172.2 | -21.3 | 35.7 | 0 | 0 | 0 | 112.6 | E377 H381 V383 Y421 | E377-P379 WeakPolarHBondContact O-CD 3.36Å; P379-H381 VanDerWaalsContact C-N 3.3Å; P379-H381 WeakPolarHBondContact CB-NE2 3.44Å; P379-V383 HydrophobicContact CB-CG1 4.38Å; P379-V383 HydrophobicContact CG-CG1 3.8Å; P379-Y421 WeakPolarHBondContact CD-OH 3.46Å |
| 380 | F | 86 | Confident | 89.5 | Confident | 171 Ų | 171 | 23.8 Ų | 23.8 | 75% | 0.75 | 13% | 0.128 | S | C | * | . | S | Bend | trans | -76.5 | -18 | 171.3 | -64.2 | -67.3 | 0 | 0 | 0 | 113.3 | W676 P678 | F380-W676 PolarHBondContact O-NE1 2.94Å; F380-P678 HydrophobicContact CD1-CB 4.46Å |
| 381 | H | 86.6 | Confident | 87.6 | Confident | 41 Ų | 41 | 28.4 Ų | 28.4 | 19% | 0.19 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -92 | 168.4 | 174.8 | 67.7 | 67.9 | 0 | 0 | 0 | 111.2 | P379 F590 W676 | P379-H381 VanDerWaalsContact C-N 3.3Å; P379-H381 WeakPolarHBondContact CB-NE2 3.44Å; H381-F590 HydrophobicContact CB-CD1 3.94Å; H381-F590 HydrophobicContact CB-CE1 3.89Å; H381-W676 WeakPolarHBondContact O-CZ2 3.34Å |
| 382 | V | 85.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -61.5 | 140.8 | -177.7 | 74.3 | 0 | 0 | 0 | 0 | 112.9 | L385 V413 I587 P589 P592 W668 W676 | V382-L385 HydrophobicContact CG1-CD1 4.16Å; V382-V413 HydrophobicContact CB-CG2 4.47Å; V382-V413 HydrophobicContact CG1-CG2 3.83Å; V382-V413 HydrophobicContact CG2-CG2 3.79Å; V382-I587 HydrophobicContact CG1-CD1 3.69Å; V382-P589 HydrophobicContact CG1-CB 3.8Å; V382-P589 PolarHBondContact N-O 3.31Å; V382-P592 HydrophobicContact CB-CB 4.17Å; V382-P592 HydrophobicContact CB-CG 4.32Å; V382-P592 HydrophobicContact CG2-CB 4.38Å; V382-W668 HydrophobicContact CG2-CB 3.8Å; V382-W668 HydrophobicContact CG2-CG 3.55Å; V382-W676 HydrophobicContact CB-CD2 4.31Å; V382-W676 HydrophobicContact CB-CG 4.2Å; V382-W676 HydrophobicContact CG2-CB 4.31Å; V382-W676 HydrophobicContact CG2-CD2 4.27Å; V382-W676 HydrophobicContact CG2-CG 4.19Å | ||
| 383 | V | 88.6 | Confident | 82.8 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.024 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -150.5 | 150.2 | -177.3 | -78.8 | 0 | 0 | 0 | 0 | 110.2 | V348 P379 Y421 W668 W676 | V348-V383 HydrophobicContact CG2-CG1 4.49Å; P379-V383 HydrophobicContact CB-CG1 4.38Å; P379-V383 HydrophobicContact CG-CG1 3.8Å; V383-Y421 WeakPolarHBondContact CB-OH 3.14Å; V383-Y421 HydrophobicContact CG2-CE2 4.2Å; V383-Y421 WeakPolarHBondContact CG2-OH 3.15Å; V383-W668 PolarHBondContact O-NE1 2.86Å; V383-W676 HydrophobicContact CG2-CH2 3.69Å; V383-W676 HydrophobicContact CG2-CZ2 4.48Å; V383-W676 HydrophobicContact CG2-CZ3 4.14Å |
| 384 | P | 92.2 | Very high | 80 | Confident | 7 Ų | 7 | 48.3 Ų | 48.3 | 5% | 0.045 | 25% | 0.254 | C | S | . | . | S | Bend | cis | -69.1 | 155.8 | -0.9 | 30.3 | -33.8 | 0 | 0 | 0 | 111.8 | G347 L372 V413 P414 M417 T419 | G347-P384 CarbonylContact O-C 3.55Å; G347-P384 WeakPolarHBondContact O-CA 3.41Å; L372-P384 HydrophobicContact CD2-CB 4.16Å; P384-V413 WeakPolarHBondContact O-CG2 3.47Å; P384-P414 HydrophobicContact CB-CG 4.12Å; P384-P414 HydrophobicContact CG-CG 3.72Å; P384-P414 WeakPolarHBondContact O-CD 3.48Å; P384-M417 HydrophobicContact CB-SD 4.2Å; P384-M417 HydrophobicContact CG-CG 3.95Å; P384-M417 HydrophobicContact CG-SD 4Å; P384-T419 WeakPolarHBondContact CB-OG1 3.5Å; P384-T419 WeakPolarHBondContact CD-OG1 3.44Å; P384-T419 WeakPolarHBondContact CG-OG1 3.08Å |
| 385 | L | 92.5 | Very high | 77 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 126.7 | -173.7 | -164.1 | 67.9 | 0 | 0 | 0 | 111.7 | G347 V348 F349 V382 Y411 V413 I587 P589 | G347-L385 PolarHBondContact O-N 3.1Å; V348-L385 CarbonylContact C-O 3.52Å; V348-L385 WeakPolarHBondContact CA-O 3.18Å; V348-L385 HydrophobicContact CG1-CB 4.42Å; V348-L385 HydrophobicContact CG1-CD2 4.47Å; V348-L385 HydrophobicContact CG2-CB 4.21Å; F349-L385 PolarHBondContact N-O 3.31Å; V382-L385 HydrophobicContact CG1-CD1 4.16Å; L385-Y411 HydrophobicContact CD1-CD1 4.36Å; L385-Y411 HydrophobicContact CD2-CD1 3.67Å; L385-Y411 HydrophobicContact CD2-CE1 4.17Å; L385-Y411 HydrophobicContact CG-CD1 4.01Å; L385-V413 HydrophobicContact CD1-CG2 4.03Å; L385-I587 HydrophobicContact CD1-CD1 4.25Å; L385-P589 HydrophobicContact CD1-CB 4.11Å; L385-P589 HydrophobicContact CD2-CB 3.87Å; L385-P589 HydrophobicContact CD2-CG 4.27Å |
| 386 | F | 94.1 | Very high | 74.2 | Confident | 3 Ų | 3 | 57.4 Ų | 57.4 | 1% | 0.013 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 131.5 | 170.4 | -71.8 | -9.9 | 0 | 0 | 0 | 110.2 | F312 L313 F349 V351 A356 Y411 I412 P414 W416 M417 | F312-F386 HydrophobicContact CD1-CE1 4.24Å; F312-F386 AromaticContact CE1-CE1 3.89Å; F312-F386 HydrophobicContact CE1-CE1 3.89Å; F312-F386 AromaticContact CE1-CZ 4Å; F312-F386 HydrophobicContact CE1-CZ 4Å; L313-F386 HydrophobicContact CD2-CE1 4.39Å; L313-F386 HydrophobicContact CD2-CE2 4.03Å; L313-F386 HydrophobicContact CD2-CZ 3.62Å; F349-F386 HydrophobicContact CB-CD1 4.12Å; F349-F386 HydrophobicContact CB-CE1 4.33Å; F349-F386 HydrophobicContact CD2-CD1 4.4Å; F349-F386 HydrophobicContact CD2-CE1 4.14Å; F349-F386 CarbonylContact O-C 3.58Å; F349-F386 WeakPolarHBondContact O-CA 3.38Å; V351-F386 HydrophobicContact CG1-CD1 4.29Å; V351-F386 HydrophobicContact CG1-CE1 4.47Å; V351-F386 HydrophobicContact CG2-CB 3.59Å; V351-F386 HydrophobicContact CG2-CD1 4.15Å; V351-F386 HydrophobicContact CG2-CD2 3.99Å; V351-F386 HydrophobicContact CG2-CG 3.65Å; A356-F386 HydrophobicContact CB-CD2 4.16Å; A356-F386 HydrophobicContact CB-CE2 4.35Å; F386-Y411 VanDerWaalsContact O-CA 3.3Å; F386-Y411 WeakPolarHBondContact O-CA 3.46Å; F386-I412 HydrophobicContact CB-CB 4.45Å; F386-I412 PolarHBondContact N-O 3.39Å; F386-I412 PolarHBondContact O-N 2.99Å; F386-P414 HydrophobicContact CD1-CG 4.3Å; F386-P414 HydrophobicContact CD2-CB 4.24Å; F386-P414 HydrophobicContact CD2-CG 4.22Å; F386-P414 HydrophobicContact CE1-CG 3.97Å; F386-P414 HydrophobicContact CE2-CB 3.75Å; F386-P414 HydrophobicContact CE2-CG 3.89Å; F386-P414 HydrophobicContact CG-CG 4.41Å; F386-P414 HydrophobicContact CZ-CB 3.98Å; F386-P414 HydrophobicContact CZ-CG 3.74Å; F386-W416 HydrophobicContact CE2-CZ2 4.01Å; F386-W416 HydrophobicContact CZ-CZ2 4.16Å; F386-M417 HydrophobicContact CE1-CE 4.4Å; F386-M417 HydrophobicContact CZ-CE 3.76Å |
| 387 | V | 92.4 | Very high | 71.6 | Confident | 6 Ų | 6 | 64.9 Ų | 64.9 | 4% | 0.036 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 126.4 | -180 | -170.1 | 0 | 0 | 0 | 0 | 109 | V348 F349 Q350 V351 E409 Q410 Y411 | V348-V387 HydrophobicContact CG1-CG2 3.7Å; F349-V387 PolarHBondContact O-N 3.02Å; Q350-V387 HydrophobicContact CG-CB 4.37Å; V351-V387 PolarHBondContact N-O 3.39Å; V387-E409 HydrophobicContact CG1-CB 4.06Å; V387-E409 HydrophobicContact CG1-CG 4.28Å; V387-Q410 WeakPolarHBondContact CA-O 3.32Å; V387-Y411 HydrophobicContact CB-CD1 4.47Å; V387-Y411 HydrophobicContact CB-CE1 4.43Å; V387-Y411 HydrophobicContact CG1-CD1 4.33Å; V387-Y411 HydrophobicContact CG1-CE1 3.95Å; V387-Y411 HydrophobicContact CG2-CD1 3.88Å; V387-Y411 HydrophobicContact CG2-CE1 3.81Å |
| 388 | F | 86.6 | Confident | 68.9 | Low | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.018 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 143 | 171.4 | -46.7 | -60.2 | 0 | 0 | 0 | 110.3 | V351 P353 A356 E409 Q410 I412 V581 | V351-F388 HydrophobicContact CG2-CD1 4.04Å; V351-F388 HydrophobicContact CG2-CE1 3.6Å; V351-F388 WeakPolarHBondContact O-CD1 3.38Å; P353-F388 HydrophobicContact CB-CD1 4.18Å; P353-F388 HydrophobicContact CB-CE1 4.11Å; P353-F388 HydrophobicContact CB-CZ 4.49Å; P353-F388 HydrophobicContact CG-CB 4.18Å; P353-F388 HydrophobicContact CG-CD1 3.58Å; P353-F388 HydrophobicContact CG-CE1 4.03Å; P353-F388 HydrophobicContact CG-CG 3.88Å; A356-F388 HydrophobicContact CB-CE1 4.05Å; A356-F388 HydrophobicContact CB-CZ 4.22Å; F388-E409 WeakPolarHBondContact O-CA 3.35Å; F388-Q410 HydrophobicContact CB-CB 4.2Å; F388-Q410 HydrophobicContact CD2-CB 4.09Å; F388-Q410 PolarHBondContact N-O 2.81Å; F388-Q410 PolarHBondContact O-N 2.78Å; F388-I412 HydrophobicContact CE2-CB 4.17Å; F388-I412 HydrophobicContact CE2-CD1 3.4Å; F388-I412 HydrophobicContact CE2-CG1 3.61Å; F388-I412 HydrophobicContact CZ-CB 4.43Å; F388-I412 HydrophobicContact CZ-CD1 3.74Å; F388-I412 HydrophobicContact CZ-CG1 4.21Å; F388-V581 HydrophobicContact CD2-CG2 4.26Å; F388-V581 HydrophobicContact CE2-CG2 3.86Å; F388-V581 HydrophobicContact CZ-CG2 4.38Å |
| 389 | V | 74.1 | Confident | 66 | Low | 33 Ų | 33 | 69.6 Ų | 69.6 | 20% | 0.2 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 121 | 176.4 | -172.2 | 0 | 0 | 0 | 0 | 107 | ||
| 390 | G | 59.3 | Low | 63.3 | Low | 45 Ų | 45 | 76.1 Ų | 76.1 | 46% | 0.464 | 43% | 0.426 | S | S | . | . | trans | -58.2 | 141.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 391 | D | 53.7 | Low | 60.6 | Low | 104 Ų | 104 | 73.2 Ų | 73.2 | 56% | 0.556 | 43% | 0.426 | S | S | * | . | trans | -87 | 109 | 178.5 | -157 | 6.7 | 0 | 0 | 0 | 109.3 | R393 | D391-R393 PolarHBondContact O-N 2.92Å; D391-R393 IonicContact OD1-NE 3.95Å | ||
| 392 | D | 46.4 | Very low | 58 | Low | 117 Ų | 117 | 77.4 Ų | 77.4 | 63% | 0.626 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -60.9 | -2.7 | 179.5 | -85.7 | -21.4 | 0 | 0 | 0 | 114.1 | S394 S395 | D392-S394 PolarHBondContact O-N 2.78Å; D392-S395 PolarHBondContact O-OG 3.08Å |
| 393 | R | 45.2 | Very low | 55.5 | Low | 188 Ų | 188 | 84.2 Ų | 84.2 | 71% | 0.709 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -79.4 | -12.3 | -169.1 | -66.9 | -177.5 | -179.8 | -162.3 | 3.8 | 114.8 | D391 | D391-R393 PolarHBondContact O-N 2.92Å; D391-R393 IonicContact OD1-NE 3.95Å |
| 394 | S | 39.6 | Very low | 53 | Low | 116 Ų | 116 | 88.9 Ų | 88.9 | 81% | 0.811 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -84.1 | -7.7 | -177.9 | 56.6 | 0 | 0 | 0 | 0 | 114.5 | D392 | D392-S394 PolarHBondContact O-N 2.78Š|
| 395 | S | 34.7 | Very low | 50.5 | Low | 81 Ų | 81 | 94.3 Ų | 94.3 | 57% | 0.566 | 56% | 0.563 | S | S | * | * | trans | -107.4 | 34.7 | -174.3 | 62.5 | 0 | 0 | 0 | 0 | 115 | D392 D397 | D392-S395 PolarHBondContact O-OG 3.08Å; S395-D397 VanDerWaalsContact C-N 3.31Å; S395-D397 PolarHBondContact O-N 2.97Å | ||
| 396 | S | 36.5 | Very low | 48.2 | Very low | 110 Ų | 110 | 102.8 Ų | 102.8 | 77% | 0.769 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -1.7 | -179.8 | 68.3 | 0 | 0 | 0 | 0 | 116 | ||
| 397 | D | 37.8 | Very low | 46.1 | Very low | 162 Ų | 162 | 107.3 Ų | 107.3 | 87% | 0.866 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.5 | 7.9 | -179.6 | -97.1 | -8 | 0 | 0 | 0 | 115.7 | S395 | S395-D397 VanDerWaalsContact C-N 3.31Å; S395-D397 PolarHBondContact O-N 2.97Å |
| 398 | S | 32.8 | Very low | 44.9 | Very low | 98 Ų | 98 | 112.9 Ų | 112.9 | 69% | 0.685 | 65% | 0.653 | S | S | * | * | trans | -99 | 108.6 | 174.7 | -172.4 | 0 | 0 | 0 | 0 | 111.8 | L400 | S398-L400 PolarHBondContact O-N 3.34Š| ||
| 399 | L | 31.4 | Very low | 44.6 | Very low | 146 Ų | 146 | 116.6 Ų | 116.6 | 76% | 0.764 | 67% | 0.671 | S | S | * | * | trans | -49.4 | 127.6 | 174.4 | -79.2 | 151.8 | 0 | 0 | 0 | 113.3 | C401 | L399-C401 PolarHBondContact O-N 3.07Š| ||
| 400 | L | 31.9 | Very low | 45.1 | Very low | 158 Ų | 158 | 118.7 Ų | 118.7 | 83% | 0.827 | 68% | 0.678 | S | S | * | * | trans | 37.9 | 67.9 | 146.6 | -63.6 | 169.9 | 0 | 0 | 0 | 116.6 | S398 | S398-L400 PolarHBondContact O-N 3.34Š| ||
| 401 | C | 30.3 | Very low | 46.4 | Very low | 110 Ų | 110 | 119.1 Ų | 119.1 | 74% | 0.743 | 67% | 0.666 | S | S | * | * | trans | -105.3 | 100.4 | 155.5 | -68.2 | 0 | 0 | 0 | 0 | 108.6 | L399 N403 | L399-C401 PolarHBondContact O-N 3.07Å; C401-N403 PolarHBondContact O-N 3.13Å | ||
| 402 | T | 32.9 | Very low | 48.1 | Very low | 129 Ų | 129 | 114.9 Ų | 114.9 | 79% | 0.791 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -68 | 85.6 | 168.3 | 47.8 | 0 | 0 | 0 | 0 | 108.6 | ||
| 403 | N | 33 | Very low | 50.1 | Low | 143 Ų | 143 | 109.8 Ų | 109.8 | 77% | 0.765 | 62% | 0.616 | S | S | * | * | trans | 176 | 80.3 | 155.9 | -85.2 | -18.6 | 0 | 0 | 0 | 104.9 | C401 V405 | C401-N403 PolarHBondContact O-N 3.13Å; N403-V405 PolarHBondContact O-N 2.96Å | ||
| 404 | A | 35.5 | Very low | 52.3 | Low | 103 Ų | 103 | 100.9 Ų | 100.9 | 85% | 0.851 | 58% | 0.583 | S | S | * | * | trans | -62.7 | 90.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | K406 | A404-K406 PolarHBondContact O-N 3.14Š| ||
| 405 | V | 40.2 | Very low | 54.5 | Low | 121 Ų | 121 | 96.8 Ų | 96.8 | 73% | 0.733 | 55% | 0.551 | S | S | * | * | trans | -61 | 121.9 | 167.9 | 177.7 | 0 | 0 | 0 | 0 | 105.2 | N403 | N403-V405 PolarHBondContact O-N 2.96Š| ||
| 406 | K | 44.6 | Very low | 57 | Low | 181 Ų | 181 | 94.5 Ų | 94.5 | 79% | 0.787 | 53% | 0.53 | S | S | * | . | trans | -50.6 | 147.3 | -172.9 | -67.3 | 168.2 | 173.2 | 176.8 | 0 | 110.8 | A404 D408 | A404-K406 PolarHBondContact O-N 3.14Å; K406-D408 PolarHBondContact O-N 3.07Å | ||
| 407 | N | 49.6 | Very low | 59.6 | Low | 98 Ų | 98 | 89.5 Ų | 89.5 | 52% | 0.524 | 49% | 0.494 | S | S | . | . | trans | -26.3 | 99.2 | 162.4 | -57.7 | 8.2 | 0 | 0 | 0 | 111.8 | E409 | N407-E409 PolarHBondContact O-N 3.2Š| ||
| 408 | D | 67.1 | Low | 62.1 | Low | 123 Ų | 123 | 82.5 Ų | 82.5 | 66% | 0.658 | 46% | 0.457 | S | S | * | . | trans | -74 | 100.3 | 174.7 | -82.8 | -24.5 | 0 | 0 | 0 | 107.2 | K406 Q410 | K406-D408 PolarHBondContact O-N 3.07Å; D408-Q410 PolarHBondContact O-N 3.3Å | ||
| 409 | E | 80 | Confident | 65 | Low | 82 Ų | 82 | 78.4 Ų | 78.4 | 38% | 0.383 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 128.9 | 171 | -69.1 | -174.8 | 151.5 | 0 | 0 | 108.9 | V387 F388 N407 Y411 | V387-E409 HydrophobicContact CG1-CB 4.06Å; V387-E409 HydrophobicContact CG1-CG 4.28Å; F388-E409 WeakPolarHBondContact O-CA 3.35Å; N407-E409 PolarHBondContact O-N 3.2Å; E409-Y411 HydrophobicContact CB-CE2 4.12Å; E409-Y411 VanDerWaalsContact O-CE2 3.23Å; E409-Y411 WeakPolarHBondContact O-CE2 3.36Å; E409-Y411 PolarHBondContact OE2-OH 3.31Å; E409-Y411 VanDerWaalsContact OE2-OH 3.12Å |
| 410 | Q | 84.4 | Confident | 68 | Low | 78 Ų | 78 | 71.5 Ų | 71.5 | 36% | 0.364 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 143.2 | 179.3 | -75.4 | -177.5 | -12 | 0 | 0 | 110 | V387 F388 D408 L586 | V387-Q410 WeakPolarHBondContact CA-O 3.32Å; F388-Q410 HydrophobicContact CB-CB 4.2Å; F388-Q410 HydrophobicContact CD2-CB 4.09Å; F388-Q410 PolarHBondContact N-O 2.81Å; F388-Q410 PolarHBondContact O-N 2.78Å; D408-Q410 PolarHBondContact O-N 3.3Å; Q410-L586 HydrophobicContact CB-CD1 4.44Å; Q410-L586 HydrophobicContact CB-CD2 3.74Å; Q410-L586 HydrophobicContact CG-CD1 3.95Å; Q410-L586 HydrophobicContact CG-CD2 4.19Å |
| 411 | Y | 87.8 | Confident | 71 | Confident | 54 Ų | 54 | 65 Ų | 65 | 21% | 0.212 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 138.3 | -172.2 | -56 | -86.3 | 0 | 0 | 0 | 113 | L385 F386 V387 E409 L586 I587 P589 | L385-Y411 HydrophobicContact CD1-CD1 4.36Å; L385-Y411 HydrophobicContact CD2-CD1 3.67Å; L385-Y411 HydrophobicContact CD2-CE1 4.17Å; L385-Y411 HydrophobicContact CG-CD1 4.01Å; F386-Y411 VanDerWaalsContact O-CA 3.3Å; F386-Y411 WeakPolarHBondContact O-CA 3.46Å; V387-Y411 HydrophobicContact CB-CD1 4.47Å; V387-Y411 HydrophobicContact CB-CE1 4.43Å; V387-Y411 HydrophobicContact CG1-CD1 4.33Å; V387-Y411 HydrophobicContact CG1-CE1 3.95Å; V387-Y411 HydrophobicContact CG2-CD1 3.88Å; V387-Y411 HydrophobicContact CG2-CE1 3.81Å; E409-Y411 HydrophobicContact CB-CE2 4.12Å; E409-Y411 VanDerWaalsContact O-CE2 3.23Å; E409-Y411 WeakPolarHBondContact O-CE2 3.36Å; E409-Y411 PolarHBondContact OE2-OH 3.31Å; E409-Y411 VanDerWaalsContact OE2-OH 3.12Å; Y411-L586 WeakPolarHBondContact O-CA 3.35Å; Y411-I587 PolarHBondContact O-N 3.26Å; Y411-P589 HydrophobicContact CD1-CG 4.18Å; Y411-P589 HydrophobicContact CD2-CG 4.08Å; Y411-P589 HydrophobicContact CE1-CG 4.4Å; Y411-P589 HydrophobicContact CE2-CG 4.34Å; Y411-P589 HydrophobicContact CG-CG 4.01Å |
| 412 | I | 88.5 | Confident | 74.1 | Confident | 14 Ų | 14 | 60.2 Ų | 60.2 | 7% | 0.072 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 141.9 | 172.1 | -72.4 | -174.4 | 0 | 0 | 0 | 110.5 | M357 F386 F388 V581 Q585 L586 | M357-I412 HydrophobicContact CE-CD1 3.77Å; F386-I412 HydrophobicContact CB-CB 4.45Å; F386-I412 PolarHBondContact N-O 3.39Å; F386-I412 PolarHBondContact O-N 2.99Å; F388-I412 HydrophobicContact CE2-CB 4.17Å; F388-I412 HydrophobicContact CE2-CD1 3.4Å; F388-I412 HydrophobicContact CE2-CG1 3.61Å; F388-I412 HydrophobicContact CZ-CB 4.43Å; F388-I412 HydrophobicContact CZ-CD1 3.74Å; F388-I412 HydrophobicContact CZ-CG1 4.21Å; I412-V581 HydrophobicContact CD1-CG1 3.64Å; I412-V581 HydrophobicContact CD1-CG2 4.41Å; I412-V581 HydrophobicContact CG1-CG1 4.38Å; I412-Q585 HydrophobicContact CD1-CB 4.28Å; I412-L586 HydrophobicContact CG1-CD2 4.21Å |
| 413 | V | 89.1 | Confident | 76.6 | Confident | 10 Ų | 10 | 57.8 Ų | 57.8 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | trans | -97.4 | 116.8 | 166 | 170.8 | 0 | 0 | 0 | 0 | 110.5 | V382 P384 L385 H415 I587 | V382-V413 HydrophobicContact CB-CG2 4.47Å; V382-V413 HydrophobicContact CG1-CG2 3.83Å; V382-V413 HydrophobicContact CG2-CG2 3.79Å; P384-V413 WeakPolarHBondContact O-CG2 3.47Å; L385-V413 HydrophobicContact CD1-CG2 4.03Å; V413-H415 PolarHBondContact O-N 3.21Å; V413-I587 HydrophobicContact CB-CD1 4.17Å; V413-I587 HydrophobicContact CG2-CD1 3.26Å | ||
| 414 | P | 90.6 | Very high | 78.4 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.013 | 28% | 0.276 | C | S | . | . | trans | -77.8 | 91.1 | 177.8 | 31.4 | -34.1 | 0 | 0 | 0 | 111.5 | P384 F386 W416 M417 | P384-P414 HydrophobicContact CB-CG 4.12Å; P384-P414 HydrophobicContact CG-CG 3.72Å; P384-P414 WeakPolarHBondContact O-CD 3.48Å; F386-P414 HydrophobicContact CD1-CG 4.3Å; F386-P414 HydrophobicContact CD2-CB 4.24Å; F386-P414 HydrophobicContact CD2-CG 4.22Å; F386-P414 HydrophobicContact CE1-CG 3.97Å; F386-P414 HydrophobicContact CE2-CB 3.75Å; F386-P414 HydrophobicContact CE2-CG 3.89Å; F386-P414 HydrophobicContact CG-CG 4.41Å; F386-P414 HydrophobicContact CZ-CB 3.98Å; F386-P414 HydrophobicContact CZ-CG 3.74Å; P414-W416 HydrophobicContact CB-CD2 4.42Å; P414-W416 HydrophobicContact CB-CZ2 4.03Å; P414-W416 PolarHBondContact O-N 3.49Å; P414-W416 VanDerWaalsContact O-N 3.12Å; P414-M417 HydrophobicContact CB-CE 4Å; P414-M417 HydrophobicContact CB-CG 4.19Å; P414-M417 HydrophobicContact CB-SD 4.36Å; P414-M417 HydrophobicContact CG-CE 3.92Å; P414-M417 HydrophobicContact CG-CG 3.96Å; P414-M417 HydrophobicContact CG-SD 3.77Å; P414-M417 WeakPolarHBondContact O-CG 3.2Å; P414-M417 PolarHBondContact O-N 2.91Å | ||
| 415 | H | 85.2 | Confident | 79.8 | Confident | 30 Ų | 30 | 53.5 Ų | 53.5 | 14% | 0.139 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -15.6 | 178.2 | 63.4 | -85.1 | 0 | 0 | 0 | 115.5 | V413 M417 R603 P670 | V413-H415 PolarHBondContact O-N 3.21Å; H415-M417 VanDerWaalsContact C-N 3.27Å; H415-M417 PolarHBondContact O-N 3.16Å; H415-R603 VanDerWaalsContact CB-NH2 3.27Å; H415-P670 WeakPolarHBondContact O-CA 3.28Å |
| 416 | W | 88.3 | Confident | 80 | Confident | 33 Ų | 33 | 54.6 Ų | 54.6 | 13% | 0.125 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -3.7 | -178.5 | 52.6 | -93.7 | 0 | 0 | 0 | 113.5 | L316 T359 K360 I364 V370 F386 P414 | L316-W416 HydrophobicContact CD1-CH2 4.09Å; L316-W416 HydrophobicContact CD1-CZ3 4.31Å; T359-W416 HydrophobicContact CG2-CH2 3.68Å; T359-W416 HydrophobicContact CG2-CZ2 4.26Å; T359-W416 HydrophobicContact CG2-CZ3 4.36Å; K360-W416 HydrophobicContact CB-CG 4.49Å; K360-W416 HydrophobicContact CG-CG 4.26Å; I364-W416 HydrophobicContact CD1-CB 4.27Å; I364-W416 HydrophobicContact CG1-CB 4.13Å; V370-W416 HydrophobicContact CB-CZ3 4.37Å; V370-W416 HydrophobicContact CG1-CZ3 4.44Å; V370-W416 HydrophobicContact CG2-CE3 4.44Å; V370-W416 HydrophobicContact CG2-CZ3 4.13Å; F386-W416 HydrophobicContact CE2-CZ2 4.01Å; F386-W416 HydrophobicContact CZ-CZ2 4.16Å; P414-W416 HydrophobicContact CB-CD2 4.42Å; P414-W416 HydrophobicContact CB-CZ2 4.03Å; P414-W416 PolarHBondContact O-N 3.49Å; P414-W416 VanDerWaalsContact O-N 3.12Å |
| 417 | M | 90.3 | Very high | 79.5 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.02 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -120.1 | 147 | 172.8 | 67 | 176.6 | 64.7 | 0 | 0 | 110.9 | F312 L316 V370 P384 F386 P414 H415 | F312-M417 HydrophobicContact CE1-CE 3.9Å; F312-M417 HydrophobicContact CE1-SD 4.48Å; F312-M417 HydrophobicContact CZ-CE 3.97Å; F312-M417 HydrophobicContact CZ-SD 4.16Å; L316-M417 HydrophobicContact CD1-CE 4.37Å; V370-M417 HydrophobicContact CB-CB 3.94Å; V370-M417 HydrophobicContact CG1-CB 3.97Å; V370-M417 WeakPolarHBondContact O-CA 3.39Å; P384-M417 HydrophobicContact CB-SD 4.2Å; P384-M417 HydrophobicContact CG-CG 3.95Å; P384-M417 HydrophobicContact CG-SD 4Å; F386-M417 HydrophobicContact CE1-CE 4.4Å; F386-M417 HydrophobicContact CZ-CE 3.76Å; P414-M417 HydrophobicContact CB-CE 4Å; P414-M417 HydrophobicContact CB-CG 4.19Å; P414-M417 HydrophobicContact CB-SD 4.36Å; P414-M417 HydrophobicContact CG-CE 3.92Å; P414-M417 HydrophobicContact CG-CG 3.96Å; P414-M417 HydrophobicContact CG-SD 3.77Å; P414-M417 WeakPolarHBondContact O-CG 3.2Å; P414-M417 PolarHBondContact O-N 2.91Å; H415-M417 VanDerWaalsContact C-N 3.27Å; H415-M417 PolarHBondContact O-N 3.16Å |
| 418 | N | 91 | Very high | 78.7 | Confident | 16 Ų | 16 | 52.4 Ų | 52.4 | 9% | 0.086 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 145.7 | 171.1 | -172.1 | 44.3 | 0 | 0 | 0 | 109.6 | V370 D371 L372 Q620 | V370-N418 PolarHBondContact O-N 3.3Å; D371-N418 VanDerWaalsContact OD1-CB 3.31Å; D371-N418 WeakPolarHBondContact OD1-CB 3.27Å; D371-N418 PolarHBondContact OD1-ND2 3.03Å; L372-N418 PolarHBondContact N-O 3.46Å; N418-Q620 PolarHBondContact OD1-NE2 3.33Å |
| 419 | T | 93.6 | Very high | 77.5 | Confident | 11 Ų | 11 | 52.2 Ų | 52.2 | 7% | 0.067 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 141.5 | 177.8 | -63 | 0 | 0 | 0 | 0 | 110 | L372 P384 Y421 V682 | L372-T419 HydrophobicContact CB-CG2 4.49Å; L372-T419 HydrophobicContact CD2-CG2 3.98Å; L372-T419 HydrophobicContact CG-CG2 4.25Å; L372-T419 CarbonylContact O-C 3.45Å; L372-T419 WeakPolarHBondContact O-CA 3.14Å; P384-T419 WeakPolarHBondContact CB-OG1 3.5Å; P384-T419 WeakPolarHBondContact CD-OG1 3.44Å; P384-T419 WeakPolarHBondContact CG-OG1 3.08Å; T419-Y421 HydrophobicContact CG2-CE2 4.12Å; T419-V682 WeakPolarHBondContact O-CG1 3.39Å |
| 420 | S | 94.8 | Very high | 75.4 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.014 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 145.5 | -173.3 | -81.9 | 0 | 0 | 0 | 0 | 110.4 | L372 V373 C374 C683 D685 | L372-S420 PolarHBondContact O-N 2.93Å; V373-S420 CarbonylContact C-O 3.54Å; V373-S420 WeakPolarHBondContact CA-O 3.37Å; C374-S420 PolarHBondContact N-O 3.16Å; S420-C683 PolarHBondContact OG-O 2.82Å; S420-D685 PolarHBondContact OG-N 3.2Å; S420-D685 VanDerWaalsContact OG-N 3.16Å |
| 421 | Y | 94.6 | Very high | 73.2 | Confident | 21 Ų | 21 | 54.9 Ų | 54.9 | 8% | 0.082 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 128.9 | 175.6 | -64.8 | -91.7 | 0 | 0 | 0 | 110.6 | S346 C374 G376 Q378 P379 V383 T419 V682 V684 | S346-Y421 PolarHBondContact O-OH 2.75Å; C374-Y421 HydrophobicContact CB-CD1 3.47Å; C374-Y421 VanDerWaalsContact CB-CD1 3.47Å; C374-Y421 HydrophobicContact CB-CE1 3.41Å; C374-Y421 VanDerWaalsContact CB-CE1 3.41Å; C374-Y421 HydrophobicContact CB-CG 4.29Å; C374-Y421 WeakPolarHBondContact O-CA 3.09Å; G376-Y421 WeakPolarHBondContact O-CD1 3.34Å; Q378-Y421 VanDerWaalsContact CA-CE1 3.41Å; Q378-Y421 HydrophobicContact CB-CD1 3.89Å; Q378-Y421 HydrophobicContact CB-CD2 3.82Å; Q378-Y421 HydrophobicContact CB-CE1 3.94Å; Q378-Y421 HydrophobicContact CB-CE2 3.86Å; Q378-Y421 HydrophobicContact CB-CG 3.84Å; Q378-Y421 HydrophobicContact CG-CD2 3.91Å; Q378-Y421 HydrophobicContact CG-CE1 4.46Å; Q378-Y421 HydrophobicContact CG-CE2 3.63Å; Q378-Y421 HydrophobicContact CG-CG 4.45Å; P379-Y421 WeakPolarHBondContact CD-OH 3.46Å; V383-Y421 WeakPolarHBondContact CB-OH 3.14Å; V383-Y421 HydrophobicContact CG2-CE2 4.2Å; V383-Y421 WeakPolarHBondContact CG2-OH 3.15Å; T419-Y421 HydrophobicContact CG2-CE2 4.12Å; Y421-V682 HydrophobicContact CD2-CB 4.03Å; Y421-V682 HydrophobicContact CD2-CG1 4.38Å; Y421-V682 HydrophobicContact CE2-CB 4.48Å; Y421-V682 PolarHBondContact N-O 2.77Å; Y421-V684 WeakPolarHBondContact O-CG2 3.38Å |
| 422 | Y | 94.4 | Very high | 70.9 | Confident | 9 Ų | 9 | 57.4 Ų | 57.4 | 4% | 0.035 | 33% | 0.333 | C | S | . | . | trans | -96.5 | 121.8 | 177.6 | 178.3 | -103.1 | 0 | 0 | 0 | 111.1 | K199 G203 F204 D207 C374 L375 P424 V684 W686 | K199-Y422 WeakPolarHBondContact CE-O 3.35Å; K199-Y422 HydrophobicContact CG-CD1 4.06Å; K199-Y422 HydrophobicContact CG-CE1 4.08Å; K199-Y422 PolarHBondContact NZ-O 3.08Å; G203-Y422 VanDerWaalsContact C-CZ 3.5Å; G203-Y422 WeakPolarHBondContact CA-OH 3.15Å; G203-Y422 PolarHBondContact O-OH 3.18Å; F204-Y422 VanDerWaalsContact CA-CZ 3.48Å; F204-Y422 HydrophobicContact CB-CD1 3.74Å; F204-Y422 HydrophobicContact CB-CD2 4.11Å; F204-Y422 HydrophobicContact CB-CE1 3.79Å; F204-Y422 HydrophobicContact CB-CE2 4.14Å; F204-Y422 HydrophobicContact CB-CG 3.91Å; F204-Y422 AromaticContact CD2-CD2 3.71Å; F204-Y422 HydrophobicContact CD2-CD2 3.71Å; F204-Y422 HydrophobicContact CD2-CE2 4.24Å; F204-Y422 AromaticContact CD2-CG 3.91Å; F204-Y422 HydrophobicContact CD2-CG 3.91Å; F204-Y422 HydrophobicContact CG-CD2 4.41Å; F204-Y422 HydrophobicContact CG-CG 4.35Å; F204-Y422 VanDerWaalsContact N-CE1 3.3Å; F204-Y422 VanDerWaalsContact N-CZ 3.25Å; F204-Y422 PolarHBondContact N-OH 2.95Å; D207-Y422 WeakPolarHBondContact OD2-CE2 3.48Å; D207-Y422 PolarHBondContact OD2-OH 2.9Å; C374-Y422 PolarHBondContact O-N 3.12Å; L375-Y422 HydrophobicContact CD2-CD1 4.07Å; Y422-P424 HydrophobicContact CE1-CB 4.22Å; Y422-P424 HydrophobicContact CE1-CG 4.47Å; Y422-V684 HydrophobicContact CD2-CG2 3.95Å; Y422-V684 HydrophobicContact CG-CG2 4.46Å; Y422-W686 HydrophobicContact CD2-CH2 4.39Å; Y422-W686 HydrophobicContact CD2-CZ2 4.4Å; Y422-W686 HydrophobicContact CE2-CH2 4.28Å; Y422-W686 HydrophobicContact CE2-CZ2 4.35Å | ||
| 423 | D | 85.7 | Confident | 68.4 | Low | 79 Ų | 79 | 62.9 Ų | 62.9 | 42% | 0.422 | 36% | 0.363 | S | S | . | . | trans | -127.4 | 119.8 | 169.2 | -154.3 | -10.4 | 0 | 0 | 0 | 108.5 | Q192 V425 | Q192-D423 PolarHBondContact NE2-OD1 2.86Å; D423-V425 PolarHBondContact O-N 2.83Å | ||
| 424 | P | 71.1 | Confident | 65.9 | Low | 23 Ų | 23 | 67.8 Ų | 67.8 | 15% | 0.149 | 39% | 0.392 | C | S | . | . | trans | -63.1 | 133.6 | -177.9 | 22.4 | -32.6 | 0 | 0 | 0 | 111.5 | Y422 K426 | Y422-P424 HydrophobicContact CE1-CB 4.22Å; Y422-P424 HydrophobicContact CE1-CG 4.47Å; P424-K426 PolarHBondContact O-N 2.8Å | ||
| 425 | V | 64 | Low | 63.3 | Low | 132 Ų | 132 | 73.4 Ų | 73.4 | 80% | 0.8 | 43% | 0.427 | S | S | * | . | trans | -70.5 | 9.2 | 176.8 | -171.1 | 0 | 0 | 0 | 0 | 112.4 | D423 H427 | D423-V425 PolarHBondContact O-N 2.83Å; V425-H427 PolarHBondContact O-N 3.06Å | ||
| 426 | K | 45.9 | Very low | 61.2 | Low | 144 Ų | 144 | 75.9 Ų | 75.9 | 63% | 0.626 | 45% | 0.447 | S | S | * | . | trans | -75.1 | 76.4 | 179.3 | -71 | -177.8 | -175.4 | 165.7 | 0 | 110 | N202 P424 | N202-K426 PolarHBondContact O-NZ 3.17Å; P424-K426 PolarHBondContact O-N 2.8Å | ||
| 427 | H | 34.2 | Very low | 59.3 | Low | 169 Ų | 169 | 86.1 Ų | 86.1 | 78% | 0.782 | 49% | 0.486 | S | S | * | . | trans | 164 | 73 | 149.7 | -77.1 | -28.4 | 0 | 0 | 0 | 107.7 | V425 S429 | V425-H427 PolarHBondContact O-N 3.06Å; H427-S429 PolarHBondContact O-N 3.08Å | ||
| 428 | G | 33 | Very low | 57.2 | Low | 64 Ų | 64 | 92.6 Ų | 92.6 | 66% | 0.66 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 135.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 429 | S | 41.3 | Very low | 55 | Low | 120 Ų | 120 | 100.6 Ų | 100.6 | 84% | 0.839 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88.2 | 17.1 | 158 | 61.6 | 0 | 0 | 0 | 0 | 122.6 | H427 | H427-S429 PolarHBondContact O-N 3.08Š|
| 430 | S | 36.5 | Very low | 52.7 | Low | 82 Ų | 82 | 104.5 Ų | 104.5 | 57% | 0.573 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -114.7 | -27.8 | 164.8 | 64.6 | 0 | 0 | 0 | 0 | 116.3 | ||
| 431 | I | 38.4 | Very low | 50.8 | Low | 133 Ų | 133 | 108.1 Ų | 108.1 | 68% | 0.682 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -86.9 | -19 | -171.1 | -62.9 | 175 | 0 | 0 | 0 | 114 | N433 V434 | I431-N433 PolarHBondContact O-N 2.87Å; I431-V434 HydrophobicContact CG2-CG2 4.24Å; I431-V434 PolarHBondContact O-N 3.17Å; I431-V434 VanDerWaalsContact O-N 3.09Å |
| 432 | S | 38.1 | Very low | 48.8 | Very low | 107 Ų | 107 | 112.2 Ų | 112.2 | 75% | 0.748 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -62.7 | -10.1 | 174.9 | 60.9 | 0 | 0 | 0 | 0 | 113.8 | ||
| 433 | N | 36.9 | Very low | 47.1 | Very low | 130 Ų | 130 | 116 Ų | 116 | 70% | 0.695 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -108.9 | 13.4 | 177.9 | -68.9 | -4.1 | 0 | 0 | 0 | 114 | I431 T435 | I431-N433 PolarHBondContact O-N 2.87Å; N433-T435 PolarHBondContact O-N 2.87Å |
| 434 | V | 36.8 | Very low | 45.7 | Very low | 112 Ų | 112 | 116.8 Ų | 116.8 | 68% | 0.679 | 66% | 0.655 | S | S | * | * | trans | -75.2 | 82.9 | 169.9 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | I431 | I431-V434 HydrophobicContact CG2-CG2 4.24Å; I431-V434 PolarHBondContact O-N 3.17Å; I431-V434 VanDerWaalsContact O-N 3.09Å | ||
| 435 | T | 36.3 | Very low | 44.8 | Very low | 121 Ų | 121 | 121.5 Ų | 121.5 | 74% | 0.742 | 68% | 0.678 | S | S | * | * | trans | -67.6 | 127.2 | 160.2 | 47.8 | 0 | 0 | 0 | 0 | 108.2 | N433 R437 | N433-T435 PolarHBondContact O-N 2.87Å; T435-R437 PolarHBondContact O-N 3.21Å | ||
| 436 | S | 40.1 | Very low | 43.6 | Very low | 81 Ų | 81 | 122 Ų | 122 | 57% | 0.566 | 67% | 0.672 | S | S | * | * | trans | -50.1 | 133 | 175.1 | 60.4 | 0 | 0 | 0 | 0 | 110.4 | I438 | S436-I438 PolarHBondContact O-N 3.06Å; S436-I438 PolarHBondContact OG-O 2.75Å; S436-I438 VanDerWaalsContact OG-O 3.11Å | ||
| 437 | R | 48.3 | Very low | 43.3 | Very low | 249 Ų | 249 | 117.8 Ų | 117.8 | 94% | 0.94 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -63.7 | -22.5 | 172.8 | -79.6 | -174.6 | 175.6 | -167.2 | -1.4 | 111.9 | T435 K439 | T435-R437 PolarHBondContact O-N 3.21Å; R437-K439 VanDerWaalsContact C-N 3.32Å; R437-K439 PolarHBondContact O-N 2.7Å |
| 438 | I | 46.1 | Very low | 43.4 | Very low | 140 Ų | 140 | 115.5 Ų | 115.5 | 72% | 0.718 | 66% | 0.663 | S | S | * | * | trans | -75.5 | 88.3 | 170.8 | -53.4 | 176.1 | 0 | 0 | 0 | 107.7 | S436 I440 | S436-I438 PolarHBondContact O-N 3.06Å; S436-I438 PolarHBondContact OG-O 2.75Å; S436-I438 VanDerWaalsContact OG-O 3.11Å; I438-I440 PolarHBondContact O-N 3.19Å | ||
| 439 | K | 44.1 | Very low | 43.8 | Very low | 183 Ų | 183 | 118.5 Ų | 118.5 | 80% | 0.796 | 67% | 0.669 | S | S | * | * | trans | -75.7 | 107.9 | 167.2 | -66.4 | -175.9 | -179.9 | -178.8 | 0 | 107.5 | R437 P441 | R437-K439 VanDerWaalsContact C-N 3.32Å; R437-K439 PolarHBondContact O-N 2.7Å; K439-P441 WeakPolarHBondContact O-CD 3.4Å | ||
| 440 | I | 47.2 | Very low | 43.4 | Very low | 93 Ų | 93 | 118.1 Ų | 118.1 | 48% | 0.477 | 67% | 0.666 | S | S | . | * | trans | -56.9 | 124.7 | 169 | -60.6 | 174.7 | 0 | 0 | 0 | 106.6 | I438 N442 V444 L445 | I438-I440 PolarHBondContact O-N 3.19Å; I440-N442 PolarHBondContact O-N 3.42Å; I440-V444 HydrophobicContact CG2-CB 3.75Å; I440-V444 HydrophobicContact CG2-CG1 3.89Å; I440-V444 HydrophobicContact CG2-CG2 4.38Å; I440-L445 HydrophobicContact CG2-CD2 4.49Å; I440-L445 HydrophobicContact CG2-CG 4.23Å | ||
| 441 | P | 53.3 | Low | 43.3 | Very low | 78 Ų | 78 | 119.2 Ų | 119.2 | 51% | 0.506 | 67% | 0.669 | S | S | . | * | trans | -54.5 | 134.8 | -179.2 | -25.2 | 33.3 | 0 | 0 | 0 | 110.4 | K439 S443 V444 | K439-P441 WeakPolarHBondContact O-CD 3.4Å; P441-S443 PolarHBondContact O-N 3.44Å; P441-V444 HydrophobicContact CB-CG2 4.38Å; P441-V444 WeakPolarHBondContact O-CB 3.35Å; P441-V444 PolarHBondContact O-N 3.13Å | ||
| 442 | N | 52.6 | Low | 43.1 | Very low | 108 Ų | 108 | 118.2 Ų | 118.2 | 58% | 0.578 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -54.5 | -27.5 | 179.4 | -72 | -2.7 | 0 | 0 | 0 | 112.1 | I440 V444 L445 E446 | I440-N442 PolarHBondContact O-N 3.42Å; N442-V444 PolarHBondContact O-N 3.06Å; N442-L445 PolarHBondContact O-N 3.06Å; N442-L445 VanDerWaalsContact O-N 3.12Å; N442-E446 VanDerWaalsContact O-CB 3.25Å; N442-E446 WeakPolarHBondContact O-CB 3.4Å; N442-E446 WeakPolarHBondContact O-CG 3.43Å; N442-E446 PolarHBondContact O-N 3.39Å |
| 443 | S | 59.2 | Low | 42.9 | Very low | 87 Ų | 87 | 119.9 Ų | 119.9 | 61% | 0.608 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -60.3 | -26.5 | 173.6 | 54.7 | 0 | 0 | 0 | 0 | 114.2 | P441 A447 | P441-S443 PolarHBondContact O-N 3.44Å; S443-A447 WeakPolarHBondContact O-CB 3.24Å; S443-A447 PolarHBondContact O-N 3.03Å; S443-A447 VanDerWaalsContact O-N 3.16Å |
| 444 | V | 57.3 | Low | 42.5 | Very low | 96 Ų | 96 | 124.3 Ų | 124.3 | 58% | 0.582 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -81.9 | -35.9 | 174.9 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | I440 P441 N442 | I440-V444 HydrophobicContact CG2-CB 3.75Å; I440-V444 HydrophobicContact CG2-CG1 3.89Å; I440-V444 HydrophobicContact CG2-CG2 4.38Å; P441-V444 HydrophobicContact CB-CG2 4.38Å; P441-V444 WeakPolarHBondContact O-CB 3.35Å; P441-V444 PolarHBondContact O-N 3.13Å; N442-V444 PolarHBondContact O-N 3.06Å |
| 445 | L | 50.9 | Low | 42.2 | Very low | 122 Ų | 122 | 125 Ų | 125 | 64% | 0.639 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -75.8 | -30 | 177.3 | -66.1 | 172.5 | 0 | 0 | 0 | 112.6 | I440 N442 | I440-L445 HydrophobicContact CG2-CD2 4.49Å; I440-L445 HydrophobicContact CG2-CG 4.23Å; N442-L445 PolarHBondContact O-N 3.06Å; N442-L445 VanDerWaalsContact O-N 3.12Å |
| 446 | E | 40 | Very low | 41.9 | Very low | 144 Ų | 144 | 125.3 Ų | 125.3 | 67% | 0.673 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -101.9 | 2.7 | -178.2 | -64.3 | 177.7 | 179.5 | 0 | 0 | 112.8 | N442 P448 | N442-E446 VanDerWaalsContact O-CB 3.25Å; N442-E446 WeakPolarHBondContact O-CB 3.4Å; N442-E446 WeakPolarHBondContact O-CG 3.43Å; N442-E446 PolarHBondContact O-N 3.39Å; E446-P448 WeakPolarHBondContact O-CD 2.88Å |
| 447 | A | 38.6 | Very low | 41.4 | Very low | 54 Ų | 54 | 127 Ų | 127 | 45% | 0.446 | 70% | 0.702 | S | S | . | * | trans | -56.4 | 113.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | S443 V449 | S443-A447 WeakPolarHBondContact O-CB 3.24Å; S443-A447 PolarHBondContact O-N 3.03Å; S443-A447 VanDerWaalsContact O-N 3.16Å; A447-V449 PolarHBondContact O-N 3Å | ||
| 448 | P | 36.7 | Very low | 40.5 | Very low | 121 Ų | 121 | 120 Ų | 120 | 79% | 0.786 | 69% | 0.687 | S | S | * | * | trans | -68.8 | 105 | -176.7 | 25.8 | -30 | 0 | 0 | 0 | 107.2 | E446 S450 | E446-P448 WeakPolarHBondContact O-CD 2.88Å; P448-S450 PolarHBondContact O-N 2.79Å | ||
| 449 | V | 40.2 | Very low | 39.7 | Very low | 127 Ų | 127 | 121.4 Ų | 121.4 | 77% | 0.77 | 69% | 0.69 | S | S | * | * | trans | -65.3 | 94.9 | 166.2 | -170.5 | 0 | 0 | 0 | 0 | 105.4 | A447 V451 | A447-V449 PolarHBondContact O-N 3Å; V449-V451 HydrophobicContact CG1-CG2 3.66Å; V449-V451 PolarHBondContact O-N 2.59Å | ||
| 450 | S | 33.6 | Very low | 39 | Very low | 112 Ų | 112 | 120.3 Ų | 120.3 | 78% | 0.783 | 69% | 0.692 | S | S | * | * | trans | -70.9 | 79.7 | 175.6 | 57.7 | 0 | 0 | 0 | 0 | 108.5 | P448 | P448-S450 PolarHBondContact O-N 2.79Š| ||
| 451 | V | 35.6 | Very low | 38 | Very low | 105 Ų | 105 | 124.9 Ų | 124.9 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | trans | -97 | 122.4 | 158.6 | -159.6 | 0 | 0 | 0 | 0 | 106.2 | V449 N453 | V449-V451 HydrophobicContact CG1-CG2 3.66Å; V449-V451 PolarHBondContact O-N 2.59Å; V451-N453 PolarHBondContact O-N 2.93Å | ||
| 452 | P | 33.9 | Very low | 36.9 | Very low | 112 Ų | 112 | 127 Ų | 127 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | 128.6 | -177.5 | -18.1 | 29.2 | 0 | 0 | 0 | 110.7 | ||
| 453 | N | 33.1 | Very low | 35.7 | Very low | 142 Ų | 142 | 129.7 Ų | 129.7 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 95.1 | 10.4 | 158 | -61 | -15.4 | 0 | 0 | 0 | 122.1 | V451 | V451-N453 PolarHBondContact O-N 2.93Š|
| 454 | Y | 28.4 | Very low | 34.1 | Very low | 224 Ų | 224 | 133.2 Ų | 133.2 | 88% | 0.878 | 75% | 0.748 | S | S | * | * | trans | -145.7 | 120 | 161.1 | -70.7 | -78.7 | 0 | 0 | 0 | 112.5 | ||||
| 455 | S | 29.7 | Very low | 32.8 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 89% | 0.888 | 76% | 0.757 | S | S | * | * | trans | -100.2 | 121.2 | 174.8 | 54.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 456 | V | 30.6 | Very low | 31.6 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | trans | -128.4 | 111.4 | 170.8 | -179.4 | 0 | 0 | 0 | 0 | 107.8 | V458 | V456-V458 HydrophobicContact CG1-CG2 4.15Š| ||
| 457 | C | 29.7 | Very low | 31 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | trans | -94.5 | 115.4 | 174.3 | -171.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 458 | V | 30.7 | Very low | 30.3 | Very low | 102 Ų | 102 | 136.5 Ų | 136.5 | 62% | 0.618 | 79% | 0.787 | S | S | * | * | trans | -99.5 | 101.1 | 176.9 | -178.5 | 0 | 0 | 0 | 0 | 108.4 | V456 L460 | V456-V458 HydrophobicContact CG1-CG2 4.15Å; V458-L460 HydrophobicContact CG1-CG 4.31Å | ||
| 459 | Q | 27.9 | Very low | 30 | Very low | 170 Ų | 170 | 137.3 Ų | 137.3 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | -89 | 108.2 | 169 | -78.3 | -172.4 | -24 | 0 | 0 | 109.8 | ||||
| 460 | L | 29.3 | Very low | 29.4 | Very low | 160 Ų | 160 | 137.2 Ų | 137.2 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -82 | 111 | 170.8 | -69.5 | 164.9 | 0 | 0 | 0 | 109 | V458 | V458-L460 HydrophobicContact CG1-CG 4.31Š| ||
| 461 | K | 26.1 | Very low | 29.1 | Very low | 189 Ų | 189 | 135 Ų | 135 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 127.3 | 170.2 | -85.2 | -175 | 175.4 | -179.9 | 0 | 110 | ||
| 462 | P | 30.8 | Very low | 28.7 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 141.8 | 174.3 | -11.1 | 26.7 | 0 | 0 | 0 | 111.3 | ||
| 463 | L | 27.8 | Very low | 28.5 | Very low | 164 Ų | 164 | 141.4 Ų | 141.4 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 126.7 | 177.7 | -87.8 | 126.4 | 0 | 0 | 0 | 111.7 | V465 | L463-V465 PolarHBondContact O-N 3.35Š|
| 464 | D | 25 | Very low | 28.3 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | trans | -69.7 | 107.8 | 173.7 | -75.7 | -42 | 0 | 0 | 0 | 111 | ||||
| 465 | V | 29.4 | Very low | 28.5 | Very low | 126 Ų | 126 | 140.5 Ų | 140.5 | 76% | 0.764 | 81% | 0.807 | S | S | * | * | trans | -112.8 | 94.1 | 168.6 | -176.4 | 0 | 0 | 0 | 0 | 108.4 | L463 S467 | L463-V465 PolarHBondContact O-N 3.35Å; V465-S467 PolarHBondContact O-N 3.26Å | ||
| 466 | T | 25.5 | Very low | 28.7 | Very low | 137 Ų | 137 | 139 Ų | 139 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | trans | -79.3 | 107.4 | 172.8 | 53.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 467 | S | 27.5 | Very low | 29.1 | Very low | 102 Ų | 102 | 138.5 Ų | 138.5 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | -145.4 | 113 | 154.7 | 60.9 | 0 | 0 | 0 | 0 | 110.2 | V465 | V465-S467 PolarHBondContact O-N 3.26Š| ||
| 468 | S | 25.7 | Very low | 29.6 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | -79.2 | 113.2 | -179.9 | 51.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 469 | V | 29.2 | Very low | 30.5 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | trans | -129.3 | 99.5 | 161.6 | -177.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 470 | S | 27.5 | Very low | 31.1 | Very low | 126 Ų | 126 | 142 Ų | 142 | 88% | 0.881 | 78% | 0.779 | S | S | * | * | trans | -82.4 | 110.4 | 173.2 | 64.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 471 | G | 28.8 | Very low | 31.6 | Very low | 64 Ų | 64 | 137.9 Ų | 137.9 | 66% | 0.66 | 76% | 0.762 | S | S | * | * | trans | -149.2 | 101.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | N473 | G471-N473 PolarHBondContact O-N 3.47Å; G471-N473 VanDerWaalsContact O-N 3.08Å | ||
| 472 | K | 26.9 | Very low | 32.2 | Very low | 204 Ų | 204 | 133.1 Ų | 133.1 | 89% | 0.887 | 75% | 0.746 | S | S | * | * | trans | -68.5 | 97.8 | 179.1 | -68.2 | 179.3 | 175.4 | -177 | 0 | 109.5 | ||||
| 473 | N | 29.2 | Very low | 33 | Very low | 148 Ų | 148 | 131.1 Ų | 131.1 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | trans | -103.6 | 106.1 | 161.3 | -78.1 | -8 | 0 | 0 | 0 | 107.4 | G471 L475 | G471-N473 PolarHBondContact O-N 3.47Å; G471-N473 VanDerWaalsContact O-N 3.08Å; N473-L475 PolarHBondContact O-N 3.38Å; N473-L475 VanDerWaalsContact O-N 3.08Å | ||
| 474 | E | 29.7 | Very low | 34 | Very low | 192 Ų | 192 | 127.2 Ų | 127.2 | 90% | 0.897 | 73% | 0.726 | S | S | * | * | trans | -63.1 | 106.1 | 173.3 | -69.6 | 177.5 | 166.9 | 0 | 0 | 108.5 | ||||
| 475 | L | 32.1 | Very low | 34.8 | Very low | 156 Ų | 156 | 125.3 Ų | 125.3 | 82% | 0.817 | 72% | 0.715 | S | S | * | * | trans | -71.2 | 137.8 | 175.7 | -77.4 | 156.1 | 0 | 0 | 0 | 109.5 | N473 D477 | N473-L475 PolarHBondContact O-N 3.38Å; N473-L475 VanDerWaalsContact O-N 3.08Å; L475-D477 PolarHBondContact O-N 2.94Å | ||
| 476 | P | 33.7 | Very low | 35.3 | Very low | 95 Ų | 95 | 127.4 Ų | 127.4 | 62% | 0.617 | 71% | 0.714 | S | S | * | * | trans | -63.8 | 135 | 174.8 | -17.1 | 30 | 0 | 0 | 0 | 111.1 | F478 | P476-F478 WeakPolarHBondContact O-CD2 3.35Å; P476-F478 WeakPolarHBondContact O-CE2 3.43Å; P476-F478 PolarHBondContact O-N 2.74Å; P476-F478 VanDerWaalsContact O-N 3.08Å | ||
| 477 | D | 39.8 | Very low | 35.6 | Very low | 116 Ų | 116 | 124.4 Ų | 124.4 | 62% | 0.62 | 70% | 0.703 | S | S | * | * | trans | -75.4 | 91.8 | -176.5 | -169.8 | 5.1 | 0 | 0 | 0 | 111.3 | L475 D479 R480 | L475-D477 PolarHBondContact O-N 2.94Å; D477-D479 PolarHBondContact O-N 2.93Å; D477-R480 PolarHBondContact O-N 2.89Å | ||
| 478 | F | 39.5 | Very low | 35.8 | Very low | 142 Ų | 142 | 126 Ų | 126 | 62% | 0.623 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -22.6 | -177.4 | -73.9 | -84.9 | 0 | 0 | 0 | 113.5 | P476 R480 C481 D482 | P476-F478 WeakPolarHBondContact O-CD2 3.35Å; P476-F478 WeakPolarHBondContact O-CE2 3.43Å; P476-F478 PolarHBondContact O-N 2.74Å; P476-F478 VanDerWaalsContact O-N 3.08Å; F478-R480 PolarHBondContact O-N 2.83Å; F478-C481 WeakPolarHBondContact O-CB 3.47Å; F478-C481 PolarHBondContact O-N 3.29Å; F478-D482 PolarHBondContact O-N 3.08Å; F478-D482 VanDerWaalsContact O-N 3.08Å |
| 479 | D | 48.7 | Very low | 36 | Very low | 114 Ų | 114 | 130 Ų | 130 | 61% | 0.61 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -63.4 | -26.8 | 179.5 | -70 | -15.7 | 0 | 0 | 0 | 111.6 | D477 S483 | D477-D479 PolarHBondContact O-N 2.93Å; D479-S483 VanDerWaalsContact O-CB 3.32Å; D479-S483 WeakPolarHBondContact O-CB 3.16Å; D479-S483 PolarHBondContact O-N 2.98Å; D479-S483 PolarHBondContact O-OG 3.36Å |
| 480 | R | 40.9 | Very low | 36 | Very low | 207 Ų | 207 | 128.4 Ų | 128.4 | 78% | 0.781 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -75.5 | -28.4 | 175.3 | -143.1 | 177.8 | -170.7 | -179.3 | 3.5 | 112.8 | D477 F478 A484 | D477-R480 PolarHBondContact O-N 2.89Å; F478-R480 PolarHBondContact O-N 2.83Å; R480-A484 PolarHBondContact O-N 2.85Å |
| 481 | C | 39.2 | Very low | 36 | Very low | 72 Ų | 72 | 127 Ų | 127 | 49% | 0.486 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -76.4 | -42 | 176.7 | -161.7 | 0 | 0 | 0 | 0 | 110.8 | F478 A484 L485 | F478-C481 WeakPolarHBondContact O-CB 3.47Å; F478-C481 PolarHBondContact O-N 3.29Å; C481-A484 PolarHBondContact O-N 2.82Å; C481-L485 PolarHBondContact O-N 2.96Å |
| 482 | D | 40.5 | Very low | 35.9 | Very low | 90 Ų | 90 | 130.9 Ų | 130.9 | 48% | 0.481 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -68.7 | -37.2 | 177.1 | -76.1 | -11 | 0 | 0 | 0 | 111.8 | F478 A484 L485 F486 | F478-D482 PolarHBondContact O-N 3.08Å; F478-D482 VanDerWaalsContact O-N 3.08Å; D482-A484 PolarHBondContact O-N 3.31Å; D482-L485 PolarHBondContact O-N 3.46Å; D482-F486 WeakPolarHBondContact O-CD2 3.43Å; D482-F486 PolarHBondContact O-N 3.49Å |
| 483 | S | 47.7 | Very low | 36 | Very low | 79 Ų | 79 | 124.8 Ų | 124.8 | 55% | 0.552 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -64.3 | -29.5 | 173.7 | -59.3 | 0 | 0 | 0 | 0 | 112.7 | D479 A487 | D479-S483 VanDerWaalsContact O-CB 3.32Å; D479-S483 WeakPolarHBondContact O-CB 3.16Å; D479-S483 PolarHBondContact O-N 2.98Å; D479-S483 PolarHBondContact O-OG 3.36Å; S483-A487 WeakPolarHBondContact O-CB 3.48Å; S483-A487 PolarHBondContact O-N 3.5Å |
| 484 | A | 47.2 | Very low | 35.7 | Very low | 82 Ų | 82 | 126.7 Ų | 126.7 | 68% | 0.678 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -78.5 | -26.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | R480 C481 D482 | R480-A484 PolarHBondContact O-N 2.85Å; C481-A484 PolarHBondContact O-N 2.82Å; D482-A484 PolarHBondContact O-N 3.31Å |
| 485 | L | 41.8 | Very low | 35.4 | Very low | 122 Ų | 122 | 122.4 Ų | 122.4 | 64% | 0.639 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -80.8 | -26 | 179.6 | -105.3 | 147.6 | 0 | 0 | 0 | 113 | C481 D482 | C481-L485 PolarHBondContact O-N 2.96Å; D482-L485 PolarHBondContact O-N 3.46Å |
| 486 | F | 39.7 | Very low | 35 | Very low | 169 Ų | 169 | 120.2 Ų | 120.2 | 74% | 0.741 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -120.9 | 4.8 | -173.5 | -60.4 | -69.3 | 0 | 0 | 0 | 115.5 | D482 D488 | D482-F486 WeakPolarHBondContact O-CD2 3.43Å; D482-F486 PolarHBondContact O-N 3.49Å; F486-D488 PolarHBondContact O-N 3.12Å |
| 487 | A | 32.1 | Very low | 34.7 | Very low | 74 Ų | 74 | 123.4 Ų | 123.4 | 61% | 0.612 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -82.7 | 106.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S483 | S483-A487 WeakPolarHBondContact O-CB 3.48Å; S483-A487 PolarHBondContact O-N 3.5Å |
| 488 | D | 31.3 | Very low | 34 | Very low | 135 Ų | 135 | 121.7 Ų | 121.7 | 72% | 0.722 | 72% | 0.715 | S | S | * | * | trans | 52 | 95.7 | 155.8 | -80.4 | -11.8 | 0 | 0 | 0 | 119.1 | F486 V490 | F486-D488 PolarHBondContact O-N 3.12Å; D488-V490 HydrophobicContact CB-CG2 4.27Å | ||
| 489 | Q | 31.3 | Very low | 33.3 | Very low | 207 Ų | 207 | 126 Ų | 126 | 97% | 0.967 | 73% | 0.726 | S | S | * | * | trans | -108.5 | 80.1 | 140.6 | -69.7 | -160 | 6.1 | 0 | 0 | 109.7 | S491 | Q489-S491 PolarHBondContact O-N 3.34Š| ||
| 490 | V | 28.8 | Very low | 32.2 | Very low | 102 Ų | 102 | 130 Ų | 130 | 62% | 0.618 | 74% | 0.739 | S | S | * | * | trans | -74.3 | 112.2 | 171.1 | 170.3 | 0 | 0 | 0 | 0 | 109.6 | D488 | D488-V490 HydrophobicContact CB-CG2 4.27Š| ||
| 491 | S | 27.7 | Very low | 31.2 | Very low | 98 Ų | 98 | 129.3 Ų | 129.3 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | trans | 41.6 | 102.3 | 148.2 | 65.1 | 0 | 0 | 0 | 0 | 119.4 | Q489 | Q489-S491 PolarHBondContact O-N 3.34Š| ||
| 492 | T | 27 | Very low | 30.5 | Very low | 145 Ų | 145 | 131.9 Ų | 131.9 | 89% | 0.89 | 76% | 0.76 | S | S | * | * | trans | -136.6 | 110.6 | 149.8 | 51.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 493 | G | 27.8 | Very low | 29.9 | Very low | 76 Ų | 76 | 133.7 Ų | 133.7 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | trans | 81.2 | 63.4 | 141.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | S495 | G493-S495 PolarHBondContact O-N 2.88Š| ||
| 494 | L | 22.9 | Very low | 28.9 | Very low | 188 Ų | 188 | 135.5 Ų | 135.5 | 98% | 0.984 | 79% | 0.79 | S | S | * | * | trans | -77.4 | 94.8 | 158.2 | -81.3 | 161.4 | 0 | 0 | 0 | 109.9 | ||||
| 495 | S | 23.3 | Very low | 27.6 | Very low | 102 Ų | 102 | 137.9 Ų | 137.9 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | trans | -150.5 | 118.5 | 158.5 | 58.2 | 0 | 0 | 0 | 0 | 112 | G493 | G493-S495 PolarHBondContact O-N 2.88Š| ||
| 496 | S | 24.7 | Very low | 26.8 | Very low | 109 Ų | 109 | 137 Ų | 137 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | 59.1 | 108.2 | 156.1 | 67.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 497 | L | 27 | Very low | 26.3 | Very low | 163 Ų | 163 | 135.1 Ų | 135.1 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -163.7 | 74.5 | 135.1 | -100.5 | 156.5 | 0 | 0 | 0 | 108.6 | R499 | L497-R499 PolarHBondContact O-N 3.3Š| ||
| 498 | G | 24.1 | Very low | 26 | Very low | 80 Ų | 80 | 143.1 Ų | 143.1 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | -68.4 | 112.2 | 165 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 499 | R | 26.6 | Very low | 25.7 | Very low | 231 Ų | 231 | 142 Ų | 142 | 87% | 0.872 | 82% | 0.823 | S | S | * | * | trans | -102.8 | 102.8 | 160.5 | -89.3 | -172.7 | -171.9 | -165.5 | 2.9 | 108.8 | L497 M501 | L497-R499 PolarHBondContact O-N 3.3Å; R499-M501 PolarHBondContact O-N 2.94Å | ||
| 500 | K | 24.2 | Very low | 25.3 | Very low | 200 Ų | 200 | 139.4 Ų | 139.4 | 87% | 0.87 | 82% | 0.816 | S | S | * | * | trans | -56.5 | 126 | 167.2 | -79.2 | 177.7 | 171.7 | 178.3 | 0 | 109.8 | ||||
| 501 | M | 20.9 | Very low | 25 | Very low | 191 Ų | 191 | 145.8 Ų | 145.8 | 94% | 0.941 | 83% | 0.829 | S | S | * | * | trans | -67.3 | 126.9 | 159.9 | -68.2 | -178.3 | 89.7 | 0 | 0 | 108.8 | R499 | R499-M501 PolarHBondContact O-N 2.94Š| ||
| 502 | T | 23.7 | Very low | 24.8 | Very low | 126 Ų | 126 | 152.1 Ų | 152.1 | 77% | 0.773 | 84% | 0.838 | S | S | * | * | trans | -109 | 127.9 | 167.9 | 43.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 503 | P | 28.7 | Very low | 24.6 | Very low | 129 Ų | 129 | 154.6 Ų | 154.6 | 84% | 0.838 | 84% | 0.836 | S | S | * | * | trans | -86 | 119.7 | 179.1 | 32.5 | -28.5 | 0 | 0 | 0 | 109.4 | ||||
| 504 | S | 25.4 | Very low | 24.3 | Very low | 117 Ų | 117 | 162.2 Ų | 162.2 | 82% | 0.818 | 84% | 0.842 | S | S | * | * | trans | -109.1 | 93.2 | 172.4 | 65.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 505 | C | 20 | Very low | 24.3 | Very low | 132 Ų | 132 | 162 Ų | 162 | 89% | 0.892 | 84% | 0.835 | S | S | * | * | trans | -70 | 126.2 | 157.1 | -76.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 506 | S | 26.1 | Very low | 24.2 | Very low | 104 Ų | 104 | 168.4 Ų | 168.4 | 73% | 0.727 | 84% | 0.844 | S | S | * | * | trans | -155.9 | 128.4 | 144.7 | 54.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 507 | P | 29.8 | Very low | 24.2 | Very low | 129 Ų | 129 | 170.1 Ų | 170.1 | 84% | 0.838 | 84% | 0.844 | S | S | * | * | trans | -85.4 | 138.8 | -173 | 33.2 | -32.1 | 0 | 0 | 0 | 110.8 | ||||
| 508 | R | 24.3 | Very low | 23.9 | Very low | 242 Ų | 242 | 173.3 Ų | 173.3 | 91% | 0.913 | 85% | 0.845 | S | S | * | * | trans | -112.5 | 132.9 | 168.2 | -76.8 | -172.6 | 176.3 | -174.2 | -0 | 110.5 | ||||
| 509 | P | 25.3 | Very low | 23.9 | Very low | 111 Ų | 111 | 174.2 Ų | 174.2 | 72% | 0.721 | 84% | 0.839 | S | S | * | * | trans | -95.2 | 151.3 | -158 | 37.3 | -35 | 0 | 0 | 0 | 114.1 | ||||
| 510 | N | 22.8 | Very low | 23.7 | Very low | 152 Ų | 152 | 169 Ų | 169 | 81% | 0.813 | 83% | 0.832 | S | S | * | * | trans | 27.8 | 97.8 | 144.4 | -72.4 | -20.8 | 0 | 0 | 0 | 117.9 | ||||
| 511 | R | 23.2 | Very low | 23.5 | Very low | 237 Ų | 237 | 166.5 Ų | 166.5 | 89% | 0.894 | 83% | 0.828 | S | S | * | * | trans | -109.1 | 90.5 | 150.7 | -86.8 | -173.6 | 173.6 | -177.9 | -1.2 | 110.2 | F513 | R511-F513 PolarHBondContact O-N 2.9Š| ||
| 512 | R | 23 | Very low | 23.6 | Very low | 231 Ų | 231 | 166.3 Ų | 166.3 | 87% | 0.872 | 82% | 0.823 | S | S | * | * | trans | -60.7 | 122.6 | 154.8 | -71.8 | 175.1 | 173.9 | 167.9 | -3 | 108 | ||||
| 513 | F | 22.9 | Very low | 23.4 | Very low | 196 Ų | 196 | 166 Ų | 166 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | trans | -136.2 | 127.8 | 154.4 | -98.9 | -81.4 | 0 | 0 | 0 | 111 | R511 | R511-F513 PolarHBondContact O-N 2.9Š| ||
| 514 | R | 21.3 | Very low | 23.3 | Very low | 237 Ų | 237 | 167.7 Ų | 167.7 | 89% | 0.894 | 83% | 0.825 | S | S | * | * | trans | -65.4 | 146 | -167.5 | -74.6 | 164.8 | 161.2 | 163.8 | -6.8 | 113.2 | ||||
| 515 | H | 22.6 | Very low | 23.1 | Very low | 184 Ų | 184 | 170.4 Ų | 170.4 | 85% | 0.852 | 83% | 0.829 | S | S | * | * | trans | -35.2 | 133.9 | 150.4 | -88.3 | -91.9 | 0 | 0 | 0 | 112.8 | ||||
| 516 | R | 21.6 | Very low | 23.3 | Very low | 236 Ų | 236 | 167.4 Ų | 167.4 | 89% | 0.891 | 82% | 0.82 | S | S | * | * | trans | -146.8 | 106.2 | 157.8 | -137 | 178 | -173.2 | 180 | 1.9 | 110 | ||||
| 517 | D | 23.9 | Very low | 23.1 | Very low | 144 Ų | 144 | 167.1 Ų | 167.1 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | trans | -51.9 | 135.5 | 166.6 | -62.4 | -59.3 | 0 | 0 | 0 | 112 | ||||
| 518 | R | 22.3 | Very low | 22.9 | Very low | 230 Ų | 230 | 165.9 Ų | 165.9 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | trans | -151.9 | 100.8 | 147.9 | -77.3 | -159.4 | 173.3 | 169 | -4.6 | 110.3 | ||||
| 519 | S | 23.3 | Very low | 23 | Very low | 100 Ų | 100 | 161 Ų | 161 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | trans | -4.3 | 130.6 | 139.7 | 56.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 520 | V | 21.9 | Very low | 22.8 | Very low | 121 Ų | 121 | 166.1 Ų | 166.1 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | -153.9 | 114.5 | 125.5 | -172.3 | 0 | 0 | 0 | 0 | 108.4 | F522 | V520-F522 HydrophobicContact CG1-CD2 4.46Å; V520-F522 HydrophobicContact CG1-CE2 4.23Å | |||
| 521 | D | 21.5 | Very low | 22.9 | Very low | 148 Ų | 148 | 170 Ų | 170 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | trans | -63.3 | 129.5 | 169.6 | -66.9 | -57.8 | 0 | 0 | 0 | 111.2 | ||||
| 522 | F | 22.5 | Very low | 23 | Very low | 187 Ų | 187 | 167.4 Ų | 167.4 | 82% | 0.82 | 81% | 0.809 | S | S | * | * | trans | -116.1 | 95.6 | 161.8 | -90.4 | -78.3 | 0 | 0 | 0 | 109.8 | V520 L524 | V520-F522 HydrophobicContact CG1-CD2 4.46Å; V520-F522 HydrophobicContact CG1-CE2 4.23Å; F522-L524 PolarHBondContact O-N 2.93Å | ||
| 523 | C | 20 | Very low | 22.9 | Very low | 118 Ų | 118 | 164.2 Ų | 164.2 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -71 | 107.1 | 165.3 | -70.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 524 | L | 25 | Very low | 22.9 | Very low | 165 Ų | 165 | 159.7 Ų | 159.7 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -108.1 | 122.4 | 158.9 | -77.4 | 169.6 | 0 | 0 | 0 | 108.8 | F522 G526 | F522-L524 PolarHBondContact O-N 2.93Å; L524-G526 PolarHBondContact O-N 2.8Å; L524-G526 VanDerWaalsContact O-N 3.09Å | ||
| 525 | I | 22.1 | Very low | 23 | Very low | 174 Ų | 174 | 155.3 Ų | 155.3 | 89% | 0.892 | 80% | 0.801 | S | S | * | * | trans | -69.6 | 99.3 | -169.5 | -63.7 | 165.5 | 0 | 0 | 0 | 109.1 | ||||
| 526 | G | 25 | Very low | 23 | Very low | 69 Ų | 69 | 158.3 Ų | 158.3 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 122.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | L524 | L524-G526 PolarHBondContact O-N 2.8Å; L524-G526 VanDerWaalsContact O-N 3.09Å |
| 527 | C | 21.9 | Very low | 23 | Very low | 99 Ų | 99 | 152.7 Ų | 152.7 | 67% | 0.669 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 126.2 | 178.2 | -143.5 | 0 | 0 | 0 | 0 | 110.2 | V529 R1200 | C527-V529 PolarHBondContact O-N 3.34Å; C527-R1200 PolarHBondContact SG-NH1 3.14Å; C527-R1200 VanDerWaalsContact SG-NH1 3.45Å |
| 528 | P | 24.8 | Very low | 23 | Very low | 103 Ų | 103 | 151.2 Ų | 151.2 | 67% | 0.669 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 118.1 | -178.8 | 3.4 | 9.3 | 0 | 0 | 0 | 110.4 | R530 | P528-R530 PolarHBondContact O-N 2.91Š|
| 529 | V | 26.6 | Very low | 23.2 | Very low | 140 Ų | 140 | 143.8 Ų | 143.8 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 126.8 | 159.2 | 176 | 0 | 0 | 0 | 0 | 107.1 | C527 R531 | C527-V529 PolarHBondContact O-N 3.34Å; V529-R531 VanDerWaalsContact C-N 3.31Å; V529-R531 PolarHBondContact O-N 3.1Å |
| 530 | R | 21.6 | Very low | 23.6 | Very low | 217 Ų | 217 | 144.6 Ų | 144.6 | 82% | 0.819 | 80% | 0.801 | S | S | * | * | trans | -66.2 | 85.3 | -175.7 | -156 | 179.6 | -168.5 | 176.3 | 2.2 | 108.8 | P528 K532 | P528-R530 PolarHBondContact O-N 2.91Å; R530-K532 PolarHBondContact O-N 2.77Å; R530-K532 VanDerWaalsContact O-N 3.08Å | ||
| 531 | R | 24.9 | Very low | 23.7 | Very low | 234 Ų | 234 | 147.1 Ų | 147.1 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | trans | -55.2 | 114 | 156.7 | -81.5 | -176.2 | 177.3 | 158.5 | -1.1 | 106.2 | V529 L533 | V529-R531 VanDerWaalsContact C-N 3.31Å; V529-R531 PolarHBondContact O-N 3.1Å; R531-L533 PolarHBondContact O-N 2.95Å | ||
| 532 | K | 23.7 | Very low | 23.8 | Very low | 182 Ų | 182 | 143.2 Ų | 143.2 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -61.4 | 104.5 | 173.1 | -74.1 | 178.2 | 178.9 | 172.4 | 0 | 107.1 | R530 | R530-K532 PolarHBondContact O-N 2.77Å; R530-K532 VanDerWaalsContact O-N 3.08Å |
| 533 | L | 22.1 | Very low | 23.8 | Very low | 164 Ų | 164 | 142 Ų | 142 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 61.7 | 135.9 | 177 | -62.7 | 145.6 | 0 | 0 | 0 | 114.1 | R531 | R531-L533 PolarHBondContact O-N 2.95Š|
| 534 | S | 22.6 | Very low | 24 | Very low | 101 Ų | 101 | 143.7 Ų | 143.7 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | cis | -171.2 | 105.8 | -9.8 | 152.2 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 535 | T | 23.2 | Very low | 23.9 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | trans | -153.5 | 119.9 | 149.4 | 43.2 | 0 | 0 | 0 | 0 | 108.4 | S537 | T535-S537 PolarHBondContact O-N 2.78Š| ||
| 536 | R | 22.6 | Very low | 24 | Very low | 248 Ų | 248 | 143.1 Ų | 143.1 | 94% | 0.936 | 80% | 0.804 | S | S | * | * | trans | -75.6 | 114.2 | -173 | -162.1 | 178.1 | -173.6 | -176.1 | 0.9 | 108.6 | ||||
| 537 | S | 22.2 | Very low | 23.9 | Very low | 117 Ų | 117 | 147.5 Ų | 147.5 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -75.9 | 120.6 | 172.3 | 55.7 | 0 | 0 | 0 | 0 | 110.9 | T535 | T535-S537 PolarHBondContact O-N 2.78Š| ||
| 538 | S | 23.4 | Very low | 24.2 | Very low | 113 Ų | 113 | 149.8 Ų | 149.8 | 79% | 0.79 | 82% | 0.822 | S | S | * | * | trans | -161.1 | 120.2 | 155.5 | 52.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 539 | G | 25.3 | Very low | 24.2 | Very low | 74 Ų | 74 | 148.9 Ų | 148.9 | 76% | 0.763 | 82% | 0.823 | S | S | * | * | trans | 106.1 | 118.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 540 | P | 32.8 | Very low | 24.1 | Very low | 118 Ų | 118 | 147.2 Ų | 147.2 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | trans | -82.4 | 169.2 | 168.8 | 36 | -30.5 | 0 | 0 | 0 | 110.2 | ||||
| 541 | L | 24.2 | Very low | 24.5 | Very low | 173 Ų | 173 | 142 Ų | 142 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | 98 | 102.3 | 169.2 | -52.7 | 168 | 0 | 0 | 0 | 115 | ||||
| 542 | G | 22.9 | Very low | 24.4 | Very low | 66 Ų | 66 | 139.9 Ų | 139.9 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | 85.4 | 102.7 | 127 | 0 | 0 | 0 | 0 | 0 | 117 | |||||
| 543 | L | 22.4 | Very low | 24.5 | Very low | 162 Ų | 162 | 142.7 Ų | 142.7 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | trans | 76.9 | 128 | 137.3 | -59.8 | 165.1 | 0 | 0 | 0 | 118.3 | ||||
| 544 | N | 24.7 | Very low | 24.5 | Very low | 153 Ų | 153 | 142.9 Ų | 142.9 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 80.5 | 85.4 | 158.8 | -59 | -11 | 0 | 0 | 0 | 117.5 | L546 | N544-L546 PolarHBondContact O-N 2.79Š| ||
| 545 | L | 23.5 | Very low | 24.5 | Very low | 167 Ų | 167 | 144.5 Ų | 144.5 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | -61.3 | 110.5 | 150.8 | -100.7 | 89.6 | 0 | 0 | 0 | 109.2 | ||||
| 546 | L | 23.7 | Very low | 24.5 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -174.9 | 104.7 | 145.3 | -100.2 | 152.5 | 0 | 0 | 0 | 107.1 | N544 | N544-L546 PolarHBondContact O-N 2.79Š| ||
| 547 | D | 23.1 | Very low | 24.5 | Very low | 161 Ų | 161 | 134.3 Ų | 134.3 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | 145.4 | 77.8 | 156.9 | -80.9 | -12.1 | 0 | 0 | 0 | 110.3 | ||||
| 548 | V | 27.5 | Very low | 24.6 | Very low | 147 Ų | 147 | 134.6 Ų | 134.6 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | trans | -93.3 | 105.4 | 165.4 | 174.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 549 | A | 24.9 | Very low | 24.5 | Very low | 84 Ų | 84 | 137.9 Ų | 137.9 | 69% | 0.694 | 80% | 0.801 | S | S | * | * | trans | 70 | 100.6 | 138.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 550 | D | 24.8 | Very low | 24.4 | Very low | 105 Ų | 105 | 140 Ų | 140 | 56% | 0.561 | 80% | 0.804 | S | S | * | * | trans | -42.5 | 113.2 | 151.4 | 179.3 | 5.7 | 0 | 0 | 0 | 112.7 | R552 | D550-R552 PolarHBondContact O-N 2.66Å; D550-R552 IonicContact OD1-NE 3.79Å; D550-R552 IonicContact OD2-CZ 3.51Å; D550-R552 IonicContact OD2-NE 3.59Å; D550-R552 PolarHBondContact OD2-NE 3.29Å; D550-R552 IonicContact OD2-NH2 2.77Å; D550-R552 PolarHBondContact OD2-NH2 2.84Å | ||
| 551 | P | 29.4 | Very low | 24 | Very low | 108 Ų | 108 | 139.2 Ų | 139.2 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | -89.3 | 79.9 | -175.4 | 35.3 | -32 | 0 | 0 | 0 | 110.9 | ||||
| 552 | R | 24.1 | Very low | 23.9 | Very low | 189 Ų | 189 | 138.6 Ų | 138.6 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | trans | -104.3 | 55.1 | 170.4 | -80.3 | -173.4 | -79.3 | 163.8 | -5.9 | 112.9 | D550 | D550-R552 PolarHBondContact O-N 2.66Å; D550-R552 IonicContact OD1-NE 3.79Å; D550-R552 IonicContact OD2-CZ 3.51Å; D550-R552 IonicContact OD2-NE 3.59Å; D550-R552 PolarHBondContact OD2-NE 3.29Å; D550-R552 IonicContact OD2-NH2 2.77Å; D550-R552 PolarHBondContact OD2-NH2 2.84Å | ||
| 553 | Y | 25.6 | Very low | 23.9 | Very low | 241 Ų | 241 | 139.2 Ų | 139.2 | 95% | 0.945 | 81% | 0.811 | S | S | * | * | trans | -159.3 | 86 | 156 | -78.9 | -68.3 | 0 | 0 | 0 | 110.1 | ||||
| 554 | L | 22.5 | Very low | 23.8 | Very low | 168 Ų | 168 | 140.9 Ų | 140.9 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | trans | -112 | 111.1 | 167.1 | -99.6 | 152.4 | 0 | 0 | 0 | 108 | ||||
| 555 | C | 22 | Very low | 23.7 | Very low | 135 Ų | 135 | 138.7 Ų | 138.7 | 91% | 0.912 | 81% | 0.809 | S | S | * | * | trans | -102.3 | 117.1 | 168 | -169.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 556 | G | 23.1 | Very low | 23.7 | Very low | 63 Ų | 63 | 138.6 Ų | 138.6 | 65% | 0.649 | 81% | 0.808 | S | S | * | * | trans | 79 | 82.3 | 141.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 557 | S | 21.3 | Very low | 23.6 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | 47 | 110.9 | 133.1 | 59.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 558 | S | 24.4 | Very low | 23.6 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | -178.8 | 158.5 | 93.9 | 47 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 559 | E | 21.9 | Very low | 23.5 | Very low | 183 Ų | 183 | 136.6 Ų | 136.6 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | -89 | 161.5 | -143.8 | -68.2 | 160.8 | 153.8 | 0 | 0 | 116.2 | ||||
| 560 | S | 22.7 | Very low | 23.5 | Very low | 118 Ų | 118 | 141.2 Ų | 141.2 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | 89.3 | 100.6 | 146.9 | 73.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 561 | A | 24.3 | Very low | 23.4 | Very low | 101 Ų | 101 | 142 Ų | 142 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | -173.3 | 126.8 | 123.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | G563 | A561-G563 PolarHBondContact O-N 2.72Š| |||
| 562 | N | 22.8 | Very low | 23 | Very low | 160 Ų | 160 | 142.2 Ų | 142.2 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | trans | -61.5 | 119.8 | -170.3 | -63.7 | -38.6 | 0 | 0 | 0 | 113.2 | ||||
| 563 | G | 23.4 | Very low | 22.9 | Very low | 79 Ų | 79 | 144.3 Ų | 144.3 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | trans | -82.3 | 115.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | A561 | A561-G563 PolarHBondContact O-N 2.72Š| ||
| 564 | F | 20.7 | Very low | 22.8 | Very low | 198 Ų | 198 | 141.4 Ų | 141.4 | 87% | 0.868 | 82% | 0.821 | S | S | * | * | trans | -70.7 | 127.7 | 170 | -84.6 | -95.6 | 0 | 0 | 0 | 110.5 | ||||
| 565 | S | 21.1 | Very low | 22.9 | Very low | 106 Ų | 106 | 140.6 Ų | 140.6 | 74% | 0.741 | 82% | 0.817 | S | S | * | * | trans | -72.7 | 118.8 | 173.7 | 175.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 566 | L | 25.2 | Very low | 22.9 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -103.7 | 101.4 | 168.3 | -115.9 | 135.2 | 0 | 0 | 0 | 107.4 | ||||
| 567 | E | 21.4 | Very low | 23.1 | Very low | 155 Ų | 155 | 145.9 Ų | 145.9 | 72% | 0.724 | 81% | 0.813 | S | S | * | * | trans | -73 | 140.3 | 174.6 | -72 | -176.4 | 153.3 | 0 | 0 | 111.4 | ||||
| 568 | N | 23.4 | Very low | 23.6 | Very low | 145 Ų | 145 | 146.6 Ų | 146.6 | 78% | 0.775 | 81% | 0.808 | S | S | * | * | trans | 53.1 | 91.8 | 150 | -62 | -20.1 | 0 | 0 | 0 | 118.9 | ||||
| 569 | V | 25.6 | Very low | 24.3 | Very low | 127 Ų | 127 | 144.4 Ų | 144.4 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | -123.5 | 106.7 | 148.4 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 570 | E | 23.1 | Very low | 25.3 | Very low | 182 Ų | 182 | 143.3 Ų | 143.3 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | -59 | 142.5 | 173.1 | -71.1 | 178.8 | 143.6 | 0 | 0 | 111.3 | T572 | E570-T572 PolarHBondContact O-N 2.83Å; E570-T572 PolarHBondContact O-OG1 3.13Å | ||
| 571 | S | 22.7 | Very low | 26.5 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | trans | -36.3 | 85.5 | 177.6 | -57.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 572 | T | 22.7 | Very low | 27.8 | Very low | 113 Ų | 113 | 136.5 Ų | 136.5 | 69% | 0.693 | 73% | 0.733 | S | S | * | * | trans | -84.2 | 115.4 | 163.1 | 7.2 | 0 | 0 | 0 | 0 | 107.1 | E570 L574 | E570-T572 PolarHBondContact O-N 2.83Å; E570-T572 PolarHBondContact O-OG1 3.13Å; T572-L574 PolarHBondContact O-N 3.15Å; T572-L574 VanDerWaalsContact O-N 3.09Å | ||
| 573 | R | 21.9 | Very low | 28.9 | Very low | 233 Ų | 233 | 135.7 Ų | 135.7 | 88% | 0.879 | 73% | 0.729 | S | S | * | * | trans | -44.3 | 120.8 | 163.5 | -81.5 | 175.2 | 161.7 | 162.6 | -5.5 | 107.4 | L575 | R573-L575 PolarHBondContact O-N 2.95Š| ||
| 574 | L | 23.7 | Very low | 30.4 | Very low | 179 Ų | 179 | 134.8 Ų | 134.8 | 94% | 0.937 | 72% | 0.719 | S | S | * | * | trans | -59 | 80.9 | 175.4 | -66 | 163.7 | 0 | 0 | 0 | 108.9 | T572 | T572-L574 PolarHBondContact O-N 3.15Å; T572-L574 VanDerWaalsContact O-N 3.09Å | ||
| 575 | L | 23.2 | Very low | 32.4 | Very low | 152 Ų | 152 | 128.9 Ų | 128.9 | 80% | 0.796 | 69% | 0.694 | S | S | * | * | trans | -62.8 | 133.3 | 154.1 | -72.1 | 165.7 | 0 | 0 | 0 | 105.1 | R573 E577 | R573-L575 PolarHBondContact O-N 2.95Å; L575-E577 PolarHBondContact O-N 2.96Å | ||
| 576 | M | 23.1 | Very low | 34.8 | Very low | 127 Ų | 127 | 125.1 Ų | 125.1 | 63% | 0.626 | 67% | 0.666 | S | S | * | * | trans | -41.7 | 109.9 | 171.4 | -70.7 | 167.2 | 64.1 | 0 | 0 | 107.8 | N578 | M576-N578 PolarHBondContact O-N 2.97Š| ||
| 577 | E | 26.6 | Very low | 37.1 | Very low | 182 Ų | 182 | 117.9 Ų | 117.9 | 85% | 0.85 | 63% | 0.628 | S | S | * | * | trans | -58.3 | 115.2 | 164.7 | -85.4 | -179.3 | 158.4 | 0 | 0 | 104.8 | L575 T579 | L575-E577 PolarHBondContact O-N 2.96Å; E577-T579 PolarHBondContact O-N 2.97Å | ||
| 578 | N | 32.3 | Very low | 40 | Very low | 131 Ų | 131 | 114 Ų | 114 | 70% | 0.701 | 61% | 0.612 | S | S | * | * | trans | -48 | 109 | 179.9 | -69.4 | -23.8 | 0 | 0 | 0 | 107.3 | M576 E580 | M576-N578 PolarHBondContact O-N 2.97Å; N578-E580 HydrophobicContact CB-CG 3.95Å; N578-E580 PolarHBondContact O-N 3.21Å | ||
| 579 | T | 38.1 | Very low | 42.6 | Very low | 75 Ų | 75 | 107.2 Ų | 107.2 | 46% | 0.46 | 58% | 0.576 | S | S | . | * | trans | -72.9 | 78.3 | 166.9 | -21.1 | 0 | 0 | 0 | 0 | 104.6 | E577 V581 | E577-T579 PolarHBondContact O-N 2.97Å; T579-V581 PolarHBondContact O-N 3.21Å | ||
| 580 | E | 43.2 | Very low | 45.2 | Very low | 160 Ų | 160 | 108.7 Ų | 108.7 | 75% | 0.748 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 122.9 | 176.8 | -71.6 | -174.8 | 174.6 | 0 | 0 | 107.1 | N578 A582 | N578-E580 HydrophobicContact CB-CG 3.95Å; N578-E580 PolarHBondContact O-N 3.21Å; E580-A582 PolarHBondContact O-N 3.49Å; E580-A582 VanDerWaalsContact O-N 3.12Å |
| 581 | V | 47.7 | Very low | 47.8 | Very low | 18 Ų | 18 | 102.8 Ų | 102.8 | 11% | 0.109 | 55% | 0.551 | C | S | . | * | P | Polyproline II helix | trans | -60.1 | 116.8 | 168.7 | 173.7 | 0 | 0 | 0 | 0 | 106 | P353 F388 I412 T579 D583 Q585 L586 | P353-V581 HydrophobicContact CB-CG2 4.01Å; F388-V581 HydrophobicContact CD2-CG2 4.26Å; F388-V581 HydrophobicContact CE2-CG2 3.86Å; F388-V581 HydrophobicContact CZ-CG2 4.38Å; I412-V581 HydrophobicContact CD1-CG1 3.64Å; I412-V581 HydrophobicContact CD1-CG2 4.41Å; I412-V581 HydrophobicContact CG1-CG1 4.38Å; T579-V581 PolarHBondContact O-N 3.21Å; V581-D583 PolarHBondContact O-N 2.87Å; V581-Q585 HydrophobicContact CG1-CB 4.02Å; V581-L586 HydrophobicContact CB-CD2 4.38Å; V581-L586 HydrophobicContact CG1-CD2 3.62Å; V581-L586 HydrophobicContact CG1-CG 3.99Å |
| 582 | A | 53 | Low | 50 | Low | 59 Ų | 59 | 98 Ų | 98 | 49% | 0.488 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 132.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | E580 G584 Q585 | E580-A582 PolarHBondContact O-N 3.49Å; E580-A582 VanDerWaalsContact O-N 3.12Å; A582-G584 PolarHBondContact O-N 3.3Å; A582-Q585 WeakPolarHBondContact O-CB 3.41Å; A582-Q585 PolarHBondContact O-N 2.97Å |
| 583 | D | 45.3 | Very low | 52.1 | Low | 143 Ų | 143 | 94.9 Ų | 94.9 | 77% | 0.765 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -50.2 | -32.3 | -172.4 | -131.8 | 7.3 | 0 | 0 | 0 | 112.9 | V581 Q585 L586 | V581-D583 PolarHBondContact O-N 2.87Å; D583-Q585 VanDerWaalsContact C-N 3.29Å; D583-Q585 PolarHBondContact O-N 2.83Å; D583-L586 PolarHBondContact O-N 3.31Å |
| 584 | G | 53.7 | Low | 54.2 | Low | 59 Ų | 59 | 85.7 Ų | 85.7 | 61% | 0.608 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -74.2 | -3.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | A582 | A582-G584 PolarHBondContact O-N 3.3Š|
| 585 | Q | 62.8 | Low | 56.6 | Low | 74 Ų | 74 | 80 Ų | 80 | 35% | 0.346 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -95.6 | -16.6 | 173.5 | -64.4 | -173.6 | 6.5 | 0 | 0 | 112.9 | I412 V581 A582 D583 | I412-Q585 HydrophobicContact CD1-CB 4.28Å; V581-Q585 HydrophobicContact CG1-CB 4.02Å; A582-Q585 WeakPolarHBondContact O-CB 3.41Å; A582-Q585 PolarHBondContact O-N 2.97Å; D583-Q585 VanDerWaalsContact C-N 3.29Å; D583-Q585 PolarHBondContact O-N 2.83Å |
| 586 | L | 71.4 | Confident | 59 | Low | 27 Ų | 27 | 75.2 Ų | 75.2 | 14% | 0.141 | 43% | 0.428 | C | S | . | . | trans | -77.3 | 141.9 | -179.4 | -61.5 | 178.2 | 0 | 0 | 0 | 110.2 | Q410 Y411 I412 V581 D583 | Q410-L586 HydrophobicContact CB-CD1 4.44Å; Q410-L586 HydrophobicContact CB-CD2 3.74Å; Q410-L586 HydrophobicContact CG-CD1 3.95Å; Q410-L586 HydrophobicContact CG-CD2 4.19Å; Y411-L586 WeakPolarHBondContact O-CA 3.35Å; I412-L586 HydrophobicContact CG1-CD2 4.21Å; V581-L586 HydrophobicContact CB-CD2 4.38Å; V581-L586 HydrophobicContact CG1-CD2 3.62Å; V581-L586 HydrophobicContact CG1-CG 3.99Å; D583-L586 PolarHBondContact O-N 3.31Å | ||
| 587 | I | 75.1 | Confident | 61.5 | Low | 14 Ų | 14 | 70.2 Ų | 70.2 | 7% | 0.072 | 41% | 0.405 | C | S | . | . | trans | -128.8 | 151.7 | -179.9 | 67 | 163.5 | 0 | 0 | 0 | 111.7 | V382 L385 Y411 V413 P589 H595 A667 | V382-I587 HydrophobicContact CG1-CD1 3.69Å; L385-I587 HydrophobicContact CD1-CD1 4.25Å; Y411-I587 PolarHBondContact O-N 3.26Å; V413-I587 HydrophobicContact CB-CD1 4.17Å; V413-I587 HydrophobicContact CG2-CD1 3.26Å; I587-P589 WeakPolarHBondContact O-CD 3.29Å; I587-H595 HydrophobicContact CB-CB 4.44Å; I587-H595 HydrophobicContact CG2-CB 4.02Å; I587-A667 HydrophobicContact CG2-CB 3.94Å | ||
| 588 | D | 80.7 | Confident | 63.9 | Low | 72 Ų | 72 | 65.5 Ų | 65.5 | 39% | 0.385 | 39% | 0.39 | S | S | . | . | trans | -82.2 | 111.2 | 157.1 | 179.8 | -4 | 0 | 0 | 0 | 108.9 | F590 S591 H595 | D588-F590 PolarHBondContact O-N 3.1Å; D588-F590 VanDerWaalsContact O-N 3.17Å; D588-F590 PolarHBondContact OD1-N 2.92Å; D588-S591 CarbonylContact O-C 3.49Å; D588-S591 PolarHBondContact O-N 3.17Å; D588-S591 VanDerWaalsContact O-N 3.12Å; D588-S591 WeakPolarHBondContact OD2-CB 3.27Å; D588-H595 PolarHBondContact N-CD2 2.67Å; D588-H595 PolarHBondContact N-NE2 3.19Å | ||
| 589 | P | 79.7 | Confident | 66 | Low | 3 Ų | 3 | 60.2 Ų | 60.2 | 2% | 0.019 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -18.2 | -177.8 | 26.9 | -34.2 | 0 | 0 | 0 | 113.9 | V382 L385 Y411 I587 | V382-P589 HydrophobicContact CG1-CB 3.8Å; V382-P589 PolarHBondContact N-O 3.31Å; L385-P589 HydrophobicContact CD1-CB 4.11Å; L385-P589 HydrophobicContact CD2-CB 3.87Å; L385-P589 HydrophobicContact CD2-CG 4.27Å; Y411-P589 HydrophobicContact CD1-CG 4.18Å; Y411-P589 HydrophobicContact CD2-CG 4.08Å; Y411-P589 HydrophobicContact CE1-CG 4.4Å; Y411-P589 HydrophobicContact CE2-CG 4.34Å; Y411-P589 HydrophobicContact CG-CG 4.01Å; I587-P589 WeakPolarHBondContact O-CD 3.29Å |
| 590 | F | 79.4 | Confident | 68 | Low | 158 Ų | 158 | 58.6 Ų | 58.6 | 69% | 0.693 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -7 | 178.5 | -58.5 | -76.3 | 0 | 0 | 0 | 113.1 | H381 D588 P592 | H381-F590 HydrophobicContact CB-CD1 3.94Å; H381-F590 HydrophobicContact CB-CE1 3.89Å; D588-F590 PolarHBondContact O-N 3.1Å; D588-F590 VanDerWaalsContact O-N 3.17Å; D588-F590 PolarHBondContact OD1-N 2.92Å; F590-P592 VanDerWaalsContact C-CD 3.42Å |
| 591 | S | 76.9 | Confident | 69.9 | Low | 59 Ų | 59 | 51.6 Ų | 51.6 | 41% | 0.413 | 32% | 0.323 | S | S | . | . | trans | -131.4 | 51.7 | 174.5 | -162.5 | 0 | 0 | 0 | 0 | 112.6 | D588 A593 G594 H595 | D588-S591 CarbonylContact O-C 3.49Å; D588-S591 PolarHBondContact O-N 3.17Å; D588-S591 VanDerWaalsContact O-N 3.12Å; D588-S591 WeakPolarHBondContact OD2-CB 3.27Å; S591-A593 VanDerWaalsContact C-N 3.25Å; S591-A593 PolarHBondContact O-N 3.48Å; S591-G594 PolarHBondContact O-N 3.44Å; S591-H595 PolarHBondContact O-CD2 2.95Å | ||
| 592 | P | 68.7 | Low | 71.6 | Confident | 21 Ų | 21 | 51.4 Ų | 51.4 | 14% | 0.136 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -66.1 | -27.2 | -172.8 | 26.3 | -33.5 | 0 | 0 | 0 | 113.1 | V382 F590 G594 H595 W676 | V382-P592 HydrophobicContact CB-CB 4.17Å; V382-P592 HydrophobicContact CB-CG 4.32Å; V382-P592 HydrophobicContact CG2-CB 4.38Å; F590-P592 VanDerWaalsContact C-CD 3.42Å; P592-G594 PolarHBondContact O-N 3.01Å; P592-H595 PolarHBondContact O-N 2.81Å; P592-W676 HydrophobicContact CB-CB 4.08Å; P592-W676 HydrophobicContact CG-CB 3.83Å; P592-W676 VanDerWaalsContact CG-CD1 3.41Å; P592-W676 HydrophobicContact CG-CG 3.88Å |
| 593 | A | 67.1 | Low | 72.9 | Confident | 47 Ų | 47 | 49.2 Ų | 49.2 | 39% | 0.388 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -65.9 | -11.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S591 W666 | S591-A593 VanDerWaalsContact C-N 3.25Å; S591-A593 PolarHBondContact O-N 3.48Å; A593-W666 WeakPolarHBondContact O-CH2 3.29Å; A593-W666 WeakPolarHBondContact O-CZ3 3.48Å |
| 594 | G | 67.6 | Low | 74.7 | Confident | 40 Ų | 40 | 44 Ų | 44 | 41% | 0.412 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -90 | -7.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S591 P592 | S591-G594 PolarHBondContact O-N 3.44Å; P592-G594 PolarHBondContact O-N 3.01Å |
| 595 | H | 72.8 | Confident | 76.2 | Confident | 60 Ų | 60 | 41.4 Ų | 41.4 | 28% | 0.278 | 24% | 0.242 | S | C | . | . | trans | -113.5 | 103.2 | -171.1 | -75.4 | -81.9 | 0 | 0 | 0 | 112.8 | I587 D588 S591 P592 A667 | I587-H595 HydrophobicContact CB-CB 4.44Å; I587-H595 HydrophobicContact CG2-CB 4.02Å; D588-H595 PolarHBondContact N-CD2 2.67Å; D588-H595 PolarHBondContact N-NE2 3.19Å; S591-H595 PolarHBondContact O-CD2 2.95Å; P592-H595 PolarHBondContact O-N 2.81Å; H595-A667 HydrophobicContact CB-CB 4.42Å; H595-A667 PolarHBondContact O-N 2.79Å | ||
| 596 | S | 73.9 | Confident | 77.3 | Confident | 51 Ų | 51 | 40.8 Ų | 40.8 | 36% | 0.357 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 143.4 | 166.8 | 59.8 | 0 | 0 | 0 | 0 | 110.9 | V665 | S596-V665 CarbonylContact C-O 3.51Å; S596-V665 WeakPolarHBondContact CA-O 3.38Å |
| 597 | V | 76 | Confident | 77.7 | Confident | 22 Ų | 22 | 39.6 Ų | 39.6 | 13% | 0.133 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 148.2 | 175 | -66.1 | 0 | 0 | 0 | 0 | 110.2 | F664 V665 A667 | V597-F664 WeakPolarHBondContact O-CA 3.39Å; V597-V665 HydrophobicContact CG2-CG2 4.05Å; V597-V665 PolarHBondContact N-O 3.16Å; V597-V665 PolarHBondContact O-N 3.04Å; V597-A667 HydrophobicContact CG1-CB 4.03Å |
| 598 | P | 76.1 | Confident | 77.9 | Confident | 82 Ų | 82 | 39.3 Ų | 39.3 | 53% | 0.532 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 142.7 | 174.2 | 25.4 | -33.1 | 0 | 0 | 0 | 110.3 | S600 E663 F664 | P598-S600 PolarHBondContact O-N 3.47Å; P598-E663 WeakPolarHBondContact CA-O 3.5Å; P598-F664 HydrophobicContact CB-CD1 4.41Å; P598-F664 HydrophobicContact CB-CE1 4.13Å |
| 599 | I | 77.1 | Confident | 78.2 | Confident | 20 Ų | 20 | 36.7 Ų | 36.7 | 10% | 0.103 | 22% | 0.215 | C | C | . | . | trans | -64.5 | 134.1 | 173.8 | -71.3 | 165.5 | 0 | 0 | 0 | 108.6 | R604 K662 E663 V665 F701 | I599-R604 HydrophobicContact CG2-CG 3.4Å; I599-R604 VanDerWaalsContact CG2-CG 3.4Å; I599-K662 VanDerWaalsContact CD1-C 3.48Å; I599-K662 WeakPolarHBondContact CD1-O 3.18Å; I599-E663 PolarHBondContact N-O 3.17Å; I599-V665 HydrophobicContact CD1-CG1 3.8Å; I599-V665 HydrophobicContact CG1-CB 4.2Å; I599-V665 HydrophobicContact CG1-CG1 3.59Å; I599-V665 HydrophobicContact CG1-CG2 3.76Å; I599-F701 HydrophobicContact CG2-CD2 3.65Å; I599-F701 HydrophobicContact CG2-CE2 3.71Å | ||
| 600 | S | 80.4 | Confident | 78.3 | Confident | 41 Ų | 41 | 38.8 Ų | 38.8 | 29% | 0.287 | 22% | 0.224 | S | C | . | . | trans | -125 | 158.4 | 175.6 | 56.5 | 0 | 0 | 0 | 0 | 110.5 | P598 D602 R603 R604 | P598-S600 PolarHBondContact O-N 3.47Å; S600-D602 VanDerWaalsContact C-N 3.28Å; S600-D602 PolarHBondContact O-N 2.82Å; S600-R603 PolarHBondContact O-N 2.77Å; S600-R603 PolarHBondContact OG-N 2.83Å; S600-R604 PolarHBondContact O-N 2.54Å; S600-R604 VanDerWaalsContact O-N 3.08Å | ||
| 601 | A | 82.5 | Confident | 78.4 | Confident | 13 Ų | 13 | 32.6 Ų | 32.6 | 11% | 0.107 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -53.1 | -48.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R603 R604 R605 F701 N785 Y788 | A601-R603 VanDerWaalsContact C-N 3.34Å; A601-R603 PolarHBondContact O-N 3.08Å; A601-R604 PolarHBondContact O-N 3.48Å; A601-R604 VanDerWaalsContact O-N 3.09Å; A601-R605 WeakPolarHBondContact O-CG 3.29Å; A601-R605 PolarHBondContact O-N 3.07Å; A601-F701 HydrophobicContact CB-CD1 3.52Å; A601-F701 HydrophobicContact CB-CE1 3.58Å; A601-F701 HydrophobicContact CB-CG 4.49Å; A601-N785 WeakPolarHBondContact CB-O 3.32Å; A601-Y788 WeakPolarHBondContact CB-OH 3.31Å |
| 602 | D | 82.9 | Confident | 78.5 | Confident | 15 Ų | 15 | 31.1 Ų | 31.1 | 8% | 0.08 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -48.9 | -51.5 | 176.1 | -80.9 | 6.4 | 0 | 0 | 0 | 112.8 | K360 I364 S600 R604 R605 | K360-D602 IonicContact NZ-OD2 3.52Å; I364-D602 HydrophobicContact CD1-CB 3.92Å; I364-D602 HydrophobicContact CG2-CB 4.41Å; S600-D602 VanDerWaalsContact C-N 3.28Å; S600-D602 PolarHBondContact O-N 2.82Å; D602-R604 VanDerWaalsContact C-N 3.34Å; D602-R604 PolarHBondContact O-N 2.96Å; D602-R605 WeakPolarHBondContact O-CG 3.29Å |
| 603 | R | 80.5 | Confident | 78.7 | Confident | 13 Ų | 13 | 30.7 Ų | 30.7 | 5% | 0.049 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.1 | -36.4 | -178.9 | -179.2 | 174.2 | -86.7 | -109.9 | 15 | 110.9 | H415 S600 A601 R605 I607 V665 W666 A667 G669 | H415-R603 VanDerWaalsContact CB-NH2 3.27Å; S600-R603 PolarHBondContact O-N 2.77Å; S600-R603 PolarHBondContact OG-N 2.83Å; A601-R603 VanDerWaalsContact C-N 3.34Å; A601-R603 PolarHBondContact O-N 3.08Å; R603-R605 VanDerWaalsContact C-N 3.33Å; R603-R605 PolarHBondContact O-N 3.09Å; R603-I607 HydrophobicContact CG-CD1 3.58Å; R603-I607 WeakPolarHBondContact O-CD1 3.41Å; R603-I607 WeakPolarHBondContact O-CG1 3.08Å; R603-V665 VanDerWaalsContact CD-CG2 3.41Å; R603-W666 PolarHBondContact NH1-O 2.82Å; R603-A667 PolarHBondContact NH2-O 3.36Å; R603-G669 PolarHBondContact NH1-O 3.21Å |
| 604 | R | 84 | Confident | 78.8 | Confident | 33 Ų | 33 | 33 Ų | 33 | 13% | 0.125 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -78.9 | -3.7 | -177.4 | -76.7 | -80 | -176.2 | 168.7 | -13 | 115.7 | I599 S600 A601 D602 W606 E673 D700 F701 | I599-R604 HydrophobicContact CG2-CG 3.4Å; I599-R604 VanDerWaalsContact CG2-CG 3.4Å; S600-R604 PolarHBondContact O-N 2.54Å; S600-R604 VanDerWaalsContact O-N 3.08Å; A601-R604 PolarHBondContact O-N 3.48Å; A601-R604 VanDerWaalsContact O-N 3.09Å; D602-R604 VanDerWaalsContact C-N 3.34Å; D602-R604 PolarHBondContact O-N 2.96Å; R604-W606 PolarHBondContact O-N 3.2Å; R604-W606 VanDerWaalsContact O-N 3.13Å; R604-E673 IonicContact NH2-OE1 3.95Å; R604-D700 WeakPolarHBondContact CD-OD1 3.39Å; R604-D700 IonicContact NH1-OD1 2.91Å; R604-D700 IonicContact NH1-OD2 2.87Å; R604-D700 PolarHBondContact NH1-OD2 3.32Å; R604-F701 HydrophobicContact CB-CB 3.61Å; R604-F701 HydrophobicContact CB-CD2 4.48Å; R604-F701 HydrophobicContact CB-CG 4.22Å; R604-F701 HydrophobicContact CG-CB 3.97Å; R604-F701 HydrophobicContact CG-CD2 4.08Å; R604-F701 HydrophobicContact CG-CG 4.31Å |
| 605 | R | 85.4 | Confident | 79 | Confident | 5 Ų | 5 | 37.4 Ų | 37.4 | 2% | 0.019 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.5 | -26.9 | -177 | -63.3 | -169.4 | 69.5 | -171.6 | -10.7 | 114.8 | I364 A601 D602 R603 G751 Q753 N785 | I364-R605 VanDerWaalsContact CG2-NH1 3.34Å; I364-R605 PolarHBondContact O-NH1 2.78Å; A601-R605 WeakPolarHBondContact O-CG 3.29Å; A601-R605 PolarHBondContact O-N 3.07Å; D602-R605 WeakPolarHBondContact O-CG 3.29Å; R603-R605 VanDerWaalsContact C-N 3.33Å; R603-R605 PolarHBondContact O-N 3.09Å; R605-G751 PolarHBondContact NH2-O 3.4Å; R605-Q753 PolarHBondContact O-NE2 3.26Å; R605-N785 PolarHBondContact NH1-OD1 2.74Å |
| 606 | W | 84.3 | Confident | 79.1 | Confident | 61 Ų | 61 | 36.7 Ų | 36.7 | 23% | 0.231 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -120.6 | -24.8 | -176.3 | -62.4 | 89.6 | 0 | 0 | 0 | 114.4 | R604 H608 V609 F610 A693 L695 P696 | R604-W606 PolarHBondContact O-N 3.2Å; R604-W606 VanDerWaalsContact O-N 3.13Å; W606-H608 VanDerWaalsContact C-N 3.32Å; W606-H608 PolarHBondContact O-N 3.14Å; W606-V609 WeakPolarHBondContact O-CG2 3.29Å; W606-V609 PolarHBondContact O-N 2.95Å; W606-V609 VanDerWaalsContact O-N 3.17Å; W606-F610 HydrophobicContact CB-CE2 3.92Å; W606-F610 VanDerWaalsContact O-CD2 3.24Å; W606-F610 WeakPolarHBondContact O-CD2 3.13Å; W606-A693 HydrophobicContact CZ3-CB 3.96Å; W606-L695 HydrophobicContact CD2-CD1 4.39Å; W606-L695 VanDerWaalsContact CH2-CA 3.49Å; W606-L695 HydrophobicContact CH2-CB 4.18Å; W606-L695 HydrophobicContact CH2-CD1 4.32Å; W606-L695 HydrophobicContact CZ2-CB 4.22Å; W606-L695 HydrophobicContact CZ2-CD1 3.66Å; W606-P696 HydrophobicContact CE3-CG 4.12Å |
| 607 | I | 80.8 | Confident | 79.2 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.7 | -44.9 | -164.4 | -63.9 | 174.1 | 0 | 0 | 0 | 111.6 | R603 V609 F610 S618 T671 | R603-I607 HydrophobicContact CG-CD1 3.58Å; R603-I607 WeakPolarHBondContact O-CD1 3.41Å; R603-I607 WeakPolarHBondContact O-CG1 3.08Å; I607-V609 PolarHBondContact O-N 2.89Å; I607-F610 PolarHBondContact O-N 2.94Å; I607-S618 PolarHBondContact O-OG 2.96Å; I607-T671 WeakPolarHBondContact CD1-O 3.44Å |
| 608 | H | 79.8 | Confident | 79.4 | Confident | 8 Ų | 8 | 35.1 Ų | 35.1 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -4.5 | -173.9 | 73.5 | -58.6 | 0 | 0 | 0 | 113.8 | R166 W606 T698 D700 | R166-H608 WeakPolarHBondContact CD-O 3.48Å; R166-H608 VanDerWaalsContact CZ-O 3.27Å; R166-H608 PolarHBondContact NE-O 3.47Å; R166-H608 PolarHBondContact NH1-O 3.3Å; W606-H608 VanDerWaalsContact C-N 3.32Å; W606-H608 PolarHBondContact O-N 3.14Å; H608-T698 PolarHBondContact CE1-O 3.41Å; H608-T698 VanDerWaalsContact NE2-C 3.34Å; H608-T698 PolarHBondContact NE2-O 2.86Å; H608-T698 PolarHBondContact NE2-OG1 3.08Å; H608-T698 VanDerWaalsContact NE2-OG1 3.11Å; H608-D700 HydrophobicContact CB-CB 4.39Å |
| 609 | V | 85.4 | Confident | 79.7 | Confident | 17 Ų | 17 | 31.4 Ų | 31.4 | 10% | 0.103 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 1.2 | 174.9 | -61.9 | 0 | 0 | 0 | 0 | 114.2 | V168 W606 I607 P696 | V168-V609 HydrophobicContact CG2-CB 3.62Å; V168-V609 HydrophobicContact CG2-CG1 3.82Å; V168-V609 HydrophobicContact CG2-CG2 4.27Å; W606-V609 WeakPolarHBondContact O-CG2 3.29Å; W606-V609 PolarHBondContact O-N 2.95Å; W606-V609 VanDerWaalsContact O-N 3.17Å; I607-V609 PolarHBondContact O-N 2.89Å; V609-P696 HydrophobicContact CB-CG 4.37Å; V609-P696 HydrophobicContact CG1-CB 3.95Å; V609-P696 HydrophobicContact CG1-CG 3.94Å; V609-P696 HydrophobicContact CG2-CB 4.43Å; V609-P696 HydrophobicContact CG2-CG 3.51Å |
| 610 | F | 83.2 | Confident | 80.1 | Confident | 47 Ų | 47 | 30.7 Ų | 30.7 | 21% | 0.206 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -69.9 | 154.4 | 174.3 | -81.1 | -95.5 | 0 | 0 | 0 | 111.1 | W606 I607 V612 Q620 P670 T671 | W606-F610 HydrophobicContact CB-CE2 3.92Å; W606-F610 VanDerWaalsContact O-CD2 3.24Å; W606-F610 WeakPolarHBondContact O-CD2 3.13Å; I607-F610 PolarHBondContact O-N 2.94Å; F610-V612 PolarHBondContact O-N 2.83Å; F610-Q620 HydrophobicContact CE1-CG 4.44Å; F610-P670 HydrophobicContact CZ-CB 4.49Å; F610-T671 HydrophobicContact CB-CG2 4.42Å; F610-T671 HydrophobicContact CD1-CG2 4.08Å; F610-T671 HydrophobicContact CD2-CG2 4.25Å; F610-T671 HydrophobicContact CE1-CG2 4.42Å; F610-T671 HydrophobicContact CG-CG2 3.99Å |
| 611 | P | 80.5 | Confident | 80.2 | Confident | 28 Ų | 28 | 31 Ų | 31 | 18% | 0.182 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -55.6 | 136.3 | 168.7 | -22.9 | 34.4 | 0 | 0 | 0 | 110.7 | K619 I631 | P611-K619 PolarHBondContact O-N 3.1Å; P611-K619 VanDerWaalsContact O-N 3.08Å; P611-I631 HydrophobicContact CB-CD1 3.78Å; P611-I631 HydrophobicContact CG-CD1 4.41Å |
| 612 | V | 78.8 | Confident | 80.4 | Confident | 28 Ų | 28 | 31 Ų | 31 | 17% | 0.17 | 17% | 0.168 | C | C | . | . | B | Isolated β-bridge | trans | -102.1 | 145.4 | 176.4 | -62.9 | 0 | 0 | 0 | 0 | 110.6 | F610 G616 F617 | F610-V612 PolarHBondContact O-N 2.83Å; V612-G616 WeakPolarHBondContact CG1-O 3.25Å; V612-F617 CarbonylContact C-O 3.58Å; V612-F617 VanDerWaalsContact CA-O 3.22Å; V612-F617 WeakPolarHBondContact CA-O 3.41Å |
| 613 | D | 74 | Confident | 80.6 | Confident | 12 Ų | 12 | 30.3 Ų | 30.3 | 6% | 0.064 | 16% | 0.164 | C | C | . | . | trans | -72.8 | -177.6 | 168.1 | 68.3 | 14.2 | 0 | 0 | 0 | 111.6 | Y615 G616 F617 K619 | D613-Y615 PolarHBondContact O-N 3.5Å; D613-Y615 VanDerWaalsContact O-N 3.09Å; D613-Y615 VanDerWaalsContact OD1-CA 3.31Å; D613-Y615 WeakPolarHBondContact OD1-CA 3.38Å; D613-Y615 WeakPolarHBondContact OD1-CB 3.39Å; D613-Y615 PolarHBondContact OD1-N 2.8Å; D613-G616 PolarHBondContact O-N 3.43Å; D613-G616 VanDerWaalsContact O-N 3.11Å; D613-G616 PolarHBondContact OD1-N 3.18Å; D613-F617 PolarHBondContact N-O 2.77Å; D613-F617 PolarHBondContact OD1-N 2.81Å; D613-K619 HydrophobicContact CB-CG 4.43Å; D613-K619 WeakPolarHBondContact OD2-CE 3.23Å | ||
| 614 | S | 69.6 | Low | 80.8 | Confident | 97 Ų | 97 | 32.4 Ų | 32.4 | 68% | 0.678 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -12 | 177.8 | 53.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 615 | Y | 72.1 | Confident | 80.6 | Confident | 132 Ų | 132 | 31.2 Ų | 31.2 | 52% | 0.518 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -6.6 | 179.4 | -57.9 | -83.7 | 0 | 0 | 0 | 112.4 | D613 Y635 | D613-Y615 PolarHBondContact O-N 3.5Å; D613-Y615 VanDerWaalsContact O-N 3.09Å; D613-Y615 VanDerWaalsContact OD1-CA 3.31Å; D613-Y615 WeakPolarHBondContact OD1-CA 3.38Å; D613-Y615 WeakPolarHBondContact OD1-CB 3.39Å; D613-Y615 PolarHBondContact OD1-N 2.8Å; Y615-Y635 HydrophobicContact CD2-CD2 4.11Å; Y615-Y635 HydrophobicContact CE2-CD2 4.05Å; Y615-Y635 HydrophobicContact CE2-CG 4.2Å; Y615-Y635 HydrophobicContact CG-CD2 4.49Å; Y615-Y635 WeakPolarHBondContact OH-CB 3.26Å |
| 616 | G | 73.9 | Confident | 80 | Confident | 45 Ų | 45 | 39.1 Ų | 39.1 | 46% | 0.464 | 20% | 0.201 | S | C | . | . | S | Bend | trans | 93.4 | 5.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | V612 D613 | V612-G616 WeakPolarHBondContact CG1-O 3.25Å; D613-G616 PolarHBondContact O-N 3.43Å; D613-G616 VanDerWaalsContact O-N 3.11Å; D613-G616 PolarHBondContact OD1-N 3.18Å |
| 617 | F | 76.8 | Confident | 79.5 | Confident | 35 Ų | 35 | 39.5 Ų | 39.5 | 15% | 0.154 | 22% | 0.223 | C | C | . | . | trans | -84.3 | 136.6 | 178.5 | -61.8 | -66.5 | 0 | 0 | 0 | 111.5 | V612 D613 K619 | V612-F617 CarbonylContact C-O 3.58Å; V612-F617 VanDerWaalsContact CA-O 3.22Å; V612-F617 WeakPolarHBondContact CA-O 3.41Å; D613-F617 PolarHBondContact N-O 2.77Å; D613-F617 PolarHBondContact OD1-N 2.81Å; F617-K619 PolarHBondContact O-N 3.12Å | ||
| 618 | S | 79.8 | Confident | 79.3 | Confident | 5 Ų | 5 | 42.7 Ų | 42.7 | 4% | 0.035 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -74.9 | 114.8 | 178.5 | -52.4 | 0 | 0 | 0 | 0 | 110.1 | I607 T671 E673 | I607-S618 PolarHBondContact O-OG 2.96Å; S618-T671 VanDerWaalsContact O-CB 3.28Å; S618-T671 WeakPolarHBondContact O-CB 3.17Å; S618-T671 WeakPolarHBondContact O-CG2 3.49Å; S618-T671 PolarHBondContact O-OG1 2.88Å; S618-T671 VanDerWaalsContact O-OG1 3.1Å; S618-E673 WeakPolarHBondContact CA-OE2 3.17Å; S618-E673 WeakPolarHBondContact CB-OE2 3.44Å; S618-E673 PolarHBondContact N-OE2 3.44Å; S618-E673 PolarHBondContact OG-OE2 3.4Å |
| 619 | K | 82 | Confident | 79.4 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.017 | 25% | 0.251 | C | S | . | . | trans | -125.6 | 154.2 | -177 | -55.6 | -75.5 | -173.2 | 170.5 | 0 | 111.1 | P611 D613 F617 V630 I631 E638 E673 E674 | P611-K619 PolarHBondContact O-N 3.1Å; P611-K619 VanDerWaalsContact O-N 3.08Å; D613-K619 HydrophobicContact CB-CG 4.43Å; D613-K619 WeakPolarHBondContact OD2-CE 3.23Å; F617-K619 PolarHBondContact O-N 3.12Å; K619-V630 HydrophobicContact CB-CG2 3.84Å; K619-I631 HydrophobicContact CB-CG1 3.88Å; K619-E638 IonicContact NZ-OE1 2.95Å; K619-E638 PolarHBondContact NZ-OE1 3.14Å; K619-E673 PolarHBondContact NZ-O 3.3Å; K619-E674 HydrophobicContact CD-CB 4.06Å; K619-E674 HydrophobicContact CD-CG 3.99Å | ||
| 620 | Q | 84.6 | Confident | 79 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.019 | 25% | 0.247 | C | C | . | . | trans | -86.3 | 122.6 | 176.7 | -63.5 | -167 | -75.1 | 0 | 0 | 110.9 | N418 F610 H622 H623 V630 T671 | N418-Q620 PolarHBondContact OD1-NE2 3.33Å; F610-Q620 HydrophobicContact CE1-CG 4.44Å; Q620-H622 PolarHBondContact NE2-CE1 2.86Å; Q620-H622 PolarHBondContact O-N 3.18Å; Q620-H622 VanDerWaalsContact O-N 3.12Å; Q620-H623 PolarHBondContact O-N 3.15Å; Q620-H623 VanDerWaalsContact O-N 3.13Å; Q620-H623 PolarHBondContact OE1-CE1 3.06Å; Q620-H623 PolarHBondContact OE1-NE2 3.3Å; Q620-H623 VanDerWaalsContact OE1-NE2 3.16Å; Q620-V630 VanDerWaalsContact O-CG2 3.22Å; Q620-V630 WeakPolarHBondContact O-CG2 3.33Å; Q620-T671 HydrophobicContact CG-CG2 4.17Å | ||
| 621 | P | 83.3 | Confident | 78.7 | Confident | 48 Ų | 48 | 42 Ų | 42 | 31% | 0.312 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -21.5 | -173 | 23.6 | -33.5 | 0 | 0 | 0 | 114.2 | H623 S629 I631 | P621-H623 VanDerWaalsContact C-N 3.33Å; P621-S629 PolarHBondContact O-OG 2.87Å; P621-I631 VanDerWaalsContact CA-CD1 3.48Å; P621-I631 HydrophobicContact CB-CD1 3.54Å; P621-I631 HydrophobicContact CG-CD1 4.4Å |
| 622 | H | 85.8 | Confident | 78.4 | Confident | 12 Ų | 12 | 49.3 Ų | 49.3 | 6% | 0.056 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 3.8 | -179 | 62.6 | -91.3 | 0 | 0 | 0 | 113.5 | Q620 F624 C683 D685 | Q620-H622 PolarHBondContact NE2-CE1 2.86Å; Q620-H622 PolarHBondContact O-N 3.18Å; Q620-H622 VanDerWaalsContact O-N 3.12Å; H622-F624 VanDerWaalsContact C-CE2 3.5Å; H622-F624 VanDerWaalsContact O-CD2 3.23Å; H622-F624 WeakPolarHBondContact O-CD2 3.42Å; H622-F624 VanDerWaalsContact O-CE2 3.26Å; H622-F624 WeakPolarHBondContact O-CE2 3.16Å; H622-C683 PolarHBondContact CD2-O 3.13Å; H622-C683 PolarHBondContact O-N 2.57Å; H622-D685 HydrophobicContact CB-CB 4.42Å; H622-D685 IonicContact CE1-OD2 3.78Å; H622-D685 PolarHBondContact CE1-OD2 2.86Å; H622-D685 WeakPolarHBondContact ND1-CB 3.34Å; H622-D685 VanDerWaalsContact ND1-CG 3.29Å; H622-D685 IonicContact ND1-OD2 3.35Å; H622-D685 PolarHBondContact ND1-OD2 3Å |
| 623 | H | 88.8 | Confident | 77.8 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 140.8 | 167.2 | -62.1 | 174.1 | 0 | 0 | 0 | 110.1 | Q620 P621 S629 V630 W668 E674 | Q620-H623 PolarHBondContact O-N 3.15Å; Q620-H623 VanDerWaalsContact O-N 3.13Å; Q620-H623 PolarHBondContact OE1-CE1 3.06Å; Q620-H623 PolarHBondContact OE1-NE2 3.3Å; Q620-H623 VanDerWaalsContact OE1-NE2 3.16Å; P621-H623 VanDerWaalsContact C-N 3.33Å; H623-S629 WeakPolarHBondContact O-CA 3.12Å; H623-V630 HydrophobicContact CB-CB 4.42Å; H623-V630 HydrophobicContact CB-CG1 3.68Å; H623-V630 HydrophobicContact CB-CG2 3.8Å; H623-V630 PolarHBondContact O-N 2.87Å; H623-W668 AromaticContact CE1-CH2 3.32Å; H623-W668 WeakPolarHBondContact CE1-CH2 3.4Å; H623-W668 AromaticContact CE1-CZ2 3.82Å; H623-W668 AromaticContact ND1-CH2 3.63Å; H623-E674 IonicContact CE1-OE2 3.61Å; H623-E674 IonicContact CG-OE1 3.02Å; H623-E674 IonicContact CG-OE2 3.33Å; H623-E674 IonicContact ND1-OE1 2.76Å; H623-E674 PolarHBondContact ND1-OE1 3.46Å; H623-E674 IonicContact ND1-OE2 3.58Å; H623-E674 PolarHBondContact ND1-OE2 2.93Å |
| 624 | F | 84.6 | Confident | 77 | Confident | 58 Ų | 58 | 52.5 Ų | 52.5 | 25% | 0.254 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 137.7 | -176.5 | -63.8 | -97.9 | 0 | 0 | 0 | 112.3 | H622 S628 V681 C683 | H622-F624 VanDerWaalsContact C-CE2 3.5Å; H622-F624 VanDerWaalsContact O-CD2 3.23Å; H622-F624 WeakPolarHBondContact O-CD2 3.42Å; H622-F624 VanDerWaalsContact O-CE2 3.26Å; H622-F624 WeakPolarHBondContact O-CE2 3.16Å; F624-S628 CarbonylContact C-O 3.45Å; F624-S628 VanDerWaalsContact CA-O 3.23Å; F624-S628 WeakPolarHBondContact CA-O 3.12Å; F624-S628 VanDerWaalsContact CD1-C 3.46Å; F624-V681 PolarHBondContact N-O 3.34Å; F624-V681 PolarHBondContact O-N 2.74Å; F624-C683 HydrophobicContact CD2-CB 4.28Å; F624-C683 HydrophobicContact CE2-CB 4.01Å |
| 625 | Y | 78.6 | Confident | 76.3 | Confident | 8 Ų | 8 | 49.6 Ų | 49.6 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 122.5 | 162 | -70.5 | -63.6 | 0 | 0 | 0 | 108.9 | G627 S628 V630 V637 N677 I680 | Y625-G627 PolarHBondContact O-N 3Å; Y625-S628 PolarHBondContact N-O 3.27Å; Y625-S628 PolarHBondContact O-N 2.86Å; Y625-V630 HydrophobicContact CD2-CB 4.32Å; Y625-V630 HydrophobicContact CD2-CG1 3.58Å; Y625-V630 HydrophobicContact CE2-CB 4.22Å; Y625-V630 HydrophobicContact CE2-CG1 3.51Å; Y625-V630 HydrophobicContact CG-CG1 4.41Å; Y625-V637 HydrophobicContact CG-CG1 4.44Å; Y625-N677 HydrophobicContact CE1-CB 4.07Å; Y625-N677 WeakPolarHBondContact CE1-ND2 3.37Å; Y625-I680 HydrophobicContact CD1-CG1 4.13Å; Y625-I680 HydrophobicContact CE1-CD1 4.14Å; Y625-I680 HydrophobicContact CE1-CG1 3.46Å; Y625-I680 VanDerWaalsContact CE1-CG1 3.46Å; Y625-I680 HydrophobicContact CE2-CG1 4.47Å; Y625-I680 WeakPolarHBondContact OH-CD1 3.37Å |
| 626 | Y | 73.7 | Confident | 75.4 | Confident | 171 Ų | 171 | 50.9 Ų | 50.9 | 67% | 0.671 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 38.2 | 175.6 | -56.1 | -79.7 | 0 | 0 | 0 | 113.8 | S628 V637 E679 | Y626-S628 VanDerWaalsContact C-N 3.33Å; Y626-S628 PolarHBondContact O-N 2.64Å; Y626-V637 HydrophobicContact CE2-CG1 4.38Å; Y626-E679 WeakPolarHBondContact CE2-OE2 3.45Å; Y626-E679 VanDerWaalsContact CZ-OE2 3.29Å; Y626-E679 PolarHBondContact OH-OE1 3.21Å; Y626-E679 VanDerWaalsContact OH-OE1 3.09Å; Y626-E679 PolarHBondContact OH-OE2 2.64Å |
| 627 | G | 73.2 | Confident | 74.2 | Confident | 68 Ų | 68 | 50.4 Ų | 50.4 | 70% | 0.701 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | 0.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116 | Y625 | Y625-G627 PolarHBondContact O-N 3Š|
| 628 | S | 77 | Confident | 73 | Confident | 68 Ų | 68 | 50.8 Ų | 50.8 | 48% | 0.476 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 137.2 | 174 | -63.1 | 0 | 0 | 0 | 0 | 111 | F624 Y625 Y626 | F624-S628 CarbonylContact C-O 3.45Å; F624-S628 VanDerWaalsContact CA-O 3.23Å; F624-S628 WeakPolarHBondContact CA-O 3.12Å; F624-S628 VanDerWaalsContact CD1-C 3.46Å; Y625-S628 PolarHBondContact N-O 3.27Å; Y625-S628 PolarHBondContact O-N 2.86Å; Y626-S628 VanDerWaalsContact C-N 3.33Å; Y626-S628 PolarHBondContact O-N 2.64Å |
| 629 | S | 80.7 | Confident | 71.3 | Confident | 23 Ų | 23 | 55.6 Ų | 55.6 | 16% | 0.161 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 138.8 | 178.8 | 178.3 | 0 | 0 | 0 | 0 | 110.4 | P621 H623 I631 K632 S633 | P621-S629 PolarHBondContact O-OG 2.87Å; H623-S629 WeakPolarHBondContact O-CA 3.12Å; S629-I631 PolarHBondContact O-N 2.9Å; S629-I631 VanDerWaalsContact O-N 3.15Å; S629-K632 PolarHBondContact O-N 3.01Å; S629-S633 PolarHBondContact O-N 3.39Å |
| 630 | V | 77.9 | Confident | 69.6 | Low | 4 Ų | 4 | 65.7 Ų | 65.7 | 2% | 0.024 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -55.2 | -32.8 | 179.5 | -64.7 | 0 | 0 | 0 | 0 | 112.7 | K619 Q620 H623 Y625 K632 S633 | K619-V630 HydrophobicContact CB-CG2 3.84Å; Q620-V630 VanDerWaalsContact O-CG2 3.22Å; Q620-V630 WeakPolarHBondContact O-CG2 3.33Å; H623-V630 HydrophobicContact CB-CB 4.42Å; H623-V630 HydrophobicContact CB-CG1 3.68Å; H623-V630 HydrophobicContact CB-CG2 3.8Å; H623-V630 PolarHBondContact O-N 2.87Å; Y625-V630 HydrophobicContact CD2-CB 4.32Å; Y625-V630 HydrophobicContact CD2-CG1 3.58Å; Y625-V630 HydrophobicContact CE2-CB 4.22Å; Y625-V630 HydrophobicContact CE2-CG1 3.51Å; Y625-V630 HydrophobicContact CG-CG1 4.41Å; V630-K632 PolarHBondContact O-N 3.37Å; V630-S633 PolarHBondContact O-N 2.77Å |
| 631 | I | 77.9 | Confident | 67.6 | Low | 31 Ų | 31 | 68 Ų | 68 | 16% | 0.159 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -61.8 | -31.2 | 178 | -63.6 | 168.2 | 0 | 0 | 0 | 111.8 | P611 K619 P621 S629 | P611-I631 HydrophobicContact CB-CD1 3.78Å; P611-I631 HydrophobicContact CG-CD1 4.41Å; K619-I631 HydrophobicContact CB-CG1 3.88Å; P621-I631 VanDerWaalsContact CA-CD1 3.48Å; P621-I631 HydrophobicContact CB-CD1 3.54Å; P621-I631 HydrophobicContact CG-CD1 4.4Å; S629-I631 PolarHBondContact O-N 2.9Å; S629-I631 VanDerWaalsContact O-N 3.15Å |
| 632 | K | 73.8 | Confident | 65.6 | Low | 182 Ų | 182 | 70.3 Ų | 70.3 | 79% | 0.791 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -101.3 | -1.8 | -178.4 | -62.1 | -173.8 | 179.9 | -175.9 | 0 | 112.9 | S629 V630 | S629-K632 PolarHBondContact O-N 3.01Å; V630-K632 PolarHBondContact O-N 3.37Å |
| 633 | S | 65.4 | Low | 63.2 | Low | 21 Ų | 21 | 74.3 Ų | 74.3 | 15% | 0.147 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -75.4 | 132.2 | -175 | -169.2 | 0 | 0 | 0 | 0 | 110.4 | S629 V630 Y635 | S629-S633 PolarHBondContact O-N 3.39Å; V630-S633 PolarHBondContact O-N 2.77Å; S633-Y635 PolarHBondContact O-N 2.84Å |
| 634 | P | 57.6 | Low | 60.9 | Low | 86 Ų | 86 | 78 Ų | 78 | 56% | 0.558 | 42% | 0.418 | S | S | * | . | trans | -67.4 | 130.9 | 175.3 | 24.7 | -29.8 | 0 | 0 | 0 | 110.8 | K636 V637 | P634-K636 PolarHBondContact O-N 2.84Å; P634-V637 HydrophobicContact CG-CG2 4.24Å; P634-V637 WeakPolarHBondContact O-CG2 3.26Å; P634-V637 PolarHBondContact O-N 3.15Å | ||
| 635 | Y | 55.3 | Low | 58.4 | Low | 35 Ų | 35 | 83.6 Ų | 83.6 | 14% | 0.137 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | -28.1 | -176.8 | -164.3 | -93.2 | 0 | 0 | 0 | 115.6 | Y615 S633 V637 E638 Q639 A656 | Y615-Y635 HydrophobicContact CD2-CD2 4.11Å; Y615-Y635 HydrophobicContact CE2-CD2 4.05Å; Y615-Y635 HydrophobicContact CE2-CG 4.2Å; Y615-Y635 HydrophobicContact CG-CD2 4.49Å; Y615-Y635 WeakPolarHBondContact OH-CB 3.26Å; S633-Y635 PolarHBondContact O-N 2.84Å; Y635-V637 PolarHBondContact O-N 3.48Å; Y635-V637 VanDerWaalsContact O-N 3.09Å; Y635-E638 WeakPolarHBondContact CE2-OE2 3.38Å; Y635-E638 WeakPolarHBondContact O-CB 3.46Å; Y635-E638 PolarHBondContact O-N 2.66Å; Y635-Q639 HydrophobicContact CD1-CG 4.09Å; Y635-Q639 HydrophobicContact CE1-CG 3.83Å; Y635-Q639 PolarHBondContact O-N 2.67Å; Y635-A656 WeakPolarHBondContact OH-CA 3.27Å; Y635-A656 WeakPolarHBondContact OH-CB 3.36Å; Y635-A656 PolarHBondContact OH-O 2.92Å |
| 636 | K | 52.9 | Low | 56.2 | Low | 159 Ų | 159 | 88.6 Ų | 88.6 | 69% | 0.691 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -56.9 | -24.5 | 175.3 | -73.5 | -175.3 | 177.6 | 179.6 | 0 | 113.7 | P634 R640 | P634-K636 PolarHBondContact O-N 2.84Å; K636-R640 PolarHBondContact O-N 3.22Å |
| 637 | V | 48.4 | Very low | 54.2 | Low | 35 Ų | 35 | 87.7 Ų | 87.7 | 21% | 0.212 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -66.9 | -40.7 | 174 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | Y625 Y626 P634 Y635 V641 | Y625-V637 HydrophobicContact CG-CG1 4.44Å; Y626-V637 HydrophobicContact CE2-CG1 4.38Å; P634-V637 HydrophobicContact CG-CG2 4.24Å; P634-V637 WeakPolarHBondContact O-CG2 3.26Å; P634-V637 PolarHBondContact O-N 3.15Å; Y635-V637 PolarHBondContact O-N 3.48Å; Y635-V637 VanDerWaalsContact O-N 3.09Å; V637-V641 VanDerWaalsContact O-CG2 3.31Å; V637-V641 WeakPolarHBondContact O-CG2 3.48Å |
| 638 | E | 50.6 | Low | 52.4 | Low | 43 Ų | 43 | 90.8 Ų | 90.8 | 20% | 0.201 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -67.5 | -42.4 | 176.9 | -65.4 | -174.9 | 163.9 | 0 | 0 | 111.5 | K619 Y635 R640 V641 | K619-E638 IonicContact NZ-OE1 2.95Å; K619-E638 PolarHBondContact NZ-OE1 3.14Å; Y635-E638 WeakPolarHBondContact CE2-OE2 3.38Å; Y635-E638 WeakPolarHBondContact O-CB 3.46Å; Y635-E638 PolarHBondContact O-N 2.66Å; E638-R640 PolarHBondContact O-N 2.9Å; E638-V641 PolarHBondContact O-N 3.41Å |
| 639 | Q | 44.9 | Very low | 50.1 | Low | 107 Ų | 107 | 94.2 Ų | 94.2 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.1 | -36.5 | 179.3 | -80.7 | -174.4 | -25 | 0 | 0 | 114.5 | Y635 V641 | Y635-Q639 HydrophobicContact CD1-CG 4.09Å; Y635-Q639 HydrophobicContact CE1-CG 3.83Å; Y635-Q639 PolarHBondContact O-N 2.67Å; Q639-V641 PolarHBondContact O-N 3.48Å |
| 640 | R | 46 | Very low | 47.8 | Very low | 216 Ų | 216 | 97.6 Ų | 97.6 | 82% | 0.815 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -18.4 | 179.9 | -82.6 | -178.4 | 176.8 | 176.8 | -1.2 | 113.2 | K636 E638 | K636-R640 PolarHBondContact O-N 3.22Å; E638-R640 PolarHBondContact O-N 2.9Å |
| 641 | V | 44.2 | Very low | 45.6 | Very low | 52 Ų | 52 | 103 Ų | 103 | 32% | 0.315 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -15.9 | -170.4 | -179.8 | 0 | 0 | 0 | 0 | 112.4 | V637 E638 Q639 P643 | V637-V641 VanDerWaalsContact O-CG2 3.31Å; V637-V641 WeakPolarHBondContact O-CG2 3.48Å; E638-V641 PolarHBondContact O-N 3.41Å; Q639-V641 PolarHBondContact O-N 3.48Å; V641-P643 WeakPolarHBondContact O-CD 3.34Å |
| 642 | L | 39.8 | Very low | 43.6 | Very low | 96 Ų | 96 | 104.5 Ų | 104.5 | 50% | 0.503 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -91.7 | 95.5 | 179 | -66.2 | 168.6 | 0 | 0 | 0 | 110.5 | V652 | L642-V652 HydrophobicContact CD1-CG1 3.98Š|
| 643 | P | 35.3 | Very low | 41.6 | Very low | 96 Ų | 96 | 101.7 Ų | 101.7 | 62% | 0.623 | 55% | 0.552 | S | S | * | * | trans | -90.2 | 123.1 | -173.9 | 6.6 | 16.4 | 0 | 0 | 0 | 109.7 | V641 F645 | V641-P643 WeakPolarHBondContact O-CD 3.34Å; P643-F645 VanDerWaalsContact C-N 3.32Å; P643-F645 WeakPolarHBondContact O-CD2 3.36Å; P643-F645 PolarHBondContact O-N 3.43Å | ||
| 644 | G | 40.6 | Very low | 40.2 | Very low | 78 Ų | 78 | 104.4 Ų | 104.4 | 80% | 0.804 | 57% | 0.568 | S | S | * | * | trans | 58 | 16.1 | 141.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | S646 | G644-S646 VanDerWaalsContact C-N 3.3Å; G644-S646 PolarHBondContact O-N 3.11Å | ||
| 645 | F | 32.4 | Very low | 39.1 | Very low | 177 Ų | 177 | 102.6 Ų | 102.6 | 78% | 0.776 | 55% | 0.554 | S | S | * | * | trans | -79.3 | 75.5 | 176.8 | -82 | -82.9 | 0 | 0 | 0 | 112.2 | P643 Q647 | P643-F645 VanDerWaalsContact C-N 3.32Å; P643-F645 WeakPolarHBondContact O-CD2 3.36Å; P643-F645 PolarHBondContact O-N 3.43Å; F645-Q647 VanDerWaalsContact C-N 3.26Å; F645-Q647 PolarHBondContact O-N 3Å; F645-Q647 VanDerWaalsContact O-N 3.17Å | ||
| 646 | S | 31.8 | Very low | 38.1 | Very low | 112 Ų | 112 | 101.7 Ų | 101.7 | 78% | 0.783 | 55% | 0.553 | S | S | * | * | trans | -82.7 | 64.8 | 166.2 | 64.3 | 0 | 0 | 0 | 0 | 110.7 | G644 | G644-S646 VanDerWaalsContact C-N 3.3Å; G644-S646 PolarHBondContact O-N 3.11Å | ||
| 647 | Q | 33.3 | Very low | 37.3 | Very low | 153 Ų | 153 | 97.7 Ų | 97.7 | 72% | 0.715 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -140.1 | 102.4 | 165.9 | -73.8 | -168.9 | -6.6 | 0 | 0 | 109.5 | F645 F649 | F645-Q647 VanDerWaalsContact C-N 3.26Å; F645-Q647 PolarHBondContact O-N 3Å; F645-Q647 VanDerWaalsContact O-N 3.17Å; Q647-F649 WeakPolarHBondContact O-CD2 3.13Å; Q647-F649 PolarHBondContact O-N 3.25Å |
| 648 | S | 34.7 | Very low | 36.7 | Very low | 133 Ų | 133 | 101.4 Ų | 101.4 | 93% | 0.93 | 56% | 0.564 | S | S | * | * | S | Bend | trans | 46.1 | 22 | 159.3 | 59.9 | 0 | 0 | 0 | 0 | 119.8 | ||
| 649 | F | 28.8 | Very low | 36.4 | Very low | 139 Ų | 139 | 100.1 Ų | 100.1 | 61% | 0.61 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -86.7 | 142.4 | 160.6 | -78.6 | -83.2 | 0 | 0 | 0 | 109.5 | Q647 N651 | Q647-F649 WeakPolarHBondContact O-CD2 3.13Å; Q647-F649 PolarHBondContact O-N 3.25Å; F649-N651 PolarHBondContact O-N 3.2Å |
| 650 | P | 32.7 | Very low | 36.4 | Very low | 95 Ų | 95 | 96.4 Ų | 96.4 | 62% | 0.617 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -57 | 127.9 | 171.6 | 24.7 | -29.9 | 0 | 0 | 0 | 107.7 | V652 L655 | P650-V652 PolarHBondContact O-N 2.95Å; P650-V652 VanDerWaalsContact O-N 3.15Å; P650-L655 WeakPolarHBondContact O-CD1 3.44Å |
| 651 | N | 31.7 | Very low | 36.5 | Very low | 116 Ų | 116 | 88.1 Ų | 88.1 | 62% | 0.62 | 53% | 0.527 | S | S | * | . | trans | -25.4 | 113.1 | -172.3 | -105.3 | -18.2 | 0 | 0 | 0 | 112.9 | F649 D653 T654 L655 | F649-N651 PolarHBondContact O-N 3.2Å; N651-D653 PolarHBondContact O-N 2.91Å; N651-D653 VanDerWaalsContact O-N 3.11Å; N651-T654 WeakPolarHBondContact CB-OG1 3.29Å; N651-T654 WeakPolarHBondContact O-CB 3.19Å; N651-T654 PolarHBondContact O-N 2.83Å; N651-T654 PolarHBondContact O-OG1 2.68Å; N651-L655 PolarHBondContact O-N 2.76Å | ||
| 652 | V | 34.6 | Very low | 37.3 | Very low | 63 Ų | 63 | 94.8 Ų | 94.8 | 38% | 0.382 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -58.1 | -25.1 | 177.3 | 177.3 | 0 | 0 | 0 | 0 | 111.4 | L642 P650 T654 L655 A656 | L642-V652 HydrophobicContact CD1-CG1 3.98Å; P650-V652 PolarHBondContact O-N 2.95Å; P650-V652 VanDerWaalsContact O-N 3.15Å; V652-T654 PolarHBondContact O-N 3.08Å; V652-L655 HydrophobicContact CG2-CD1 4.5Å; V652-L655 PolarHBondContact O-N 2.9Å; V652-A656 WeakPolarHBondContact O-CB 2.99Å; V652-A656 PolarHBondContact O-N 3.32Å |
| 653 | D | 32.5 | Very low | 38.5 | Very low | 123 Ų | 123 | 96.7 Ų | 96.7 | 66% | 0.658 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -57.7 | -31.8 | 171.4 | -71.3 | -28.7 | 0 | 0 | 0 | 113.2 | N651 S657 | N651-D653 PolarHBondContact O-N 2.91Å; N651-D653 VanDerWaalsContact O-N 3.11Å; D653-S657 PolarHBondContact O-OG 3.16Å |
| 654 | T | 36.1 | Very low | 40.4 | Very low | 79 Ų | 79 | 96.1 Ų | 96.1 | 49% | 0.485 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -81.8 | -31.9 | 173.8 | 7.6 | 0 | 0 | 0 | 0 | 112.6 | N651 V652 D658 | N651-T654 WeakPolarHBondContact CB-OG1 3.29Å; N651-T654 WeakPolarHBondContact O-CB 3.19Å; N651-T654 PolarHBondContact O-N 2.83Å; N651-T654 PolarHBondContact O-OG1 2.68Å; V652-T654 PolarHBondContact O-N 3.08Å; T654-D658 WeakPolarHBondContact O-CB 3.36Å; T654-D658 PolarHBondContact O-N 3.04Å |
| 655 | L | 33.8 | Very low | 42.2 | Very low | 47 Ų | 47 | 92.7 Ų | 92.7 | 25% | 0.246 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -75.9 | -26.4 | 179.2 | -68.2 | 168.5 | 0 | 0 | 0 | 112.9 | P650 N651 V652 G659 L660 | P650-L655 WeakPolarHBondContact O-CD1 3.44Å; N651-L655 PolarHBondContact O-N 2.76Å; V652-L655 HydrophobicContact CG2-CD1 4.5Å; V652-L655 PolarHBondContact O-N 2.9Å; L655-G659 CarbonylContact C-O 3.57Å; L655-G659 CarbonylContact O-C 3.43Å; L655-G659 WeakPolarHBondContact O-CA 3.39Å; L655-G659 PolarHBondContact O-N 3.5Å; L655-L660 HydrophobicContact CD2-CD2 4.01Å |
| 656 | A | 35.3 | Very low | 44.4 | Very low | 16 Ų | 16 | 86.8 Ų | 86.8 | 13% | 0.132 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -81.4 | -48.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y635 V652 D658 | Y635-A656 WeakPolarHBondContact OH-CA 3.27Å; Y635-A656 WeakPolarHBondContact OH-CB 3.36Å; Y635-A656 PolarHBondContact OH-O 2.92Å; V652-A656 WeakPolarHBondContact O-CB 2.99Å; V652-A656 PolarHBondContact O-N 3.32Å; A656-D658 VanDerWaalsContact C-N 3.34Å; A656-D658 PolarHBondContact O-N 3.46Å |
| 657 | S | 36.5 | Very low | 46.6 | Very low | 76 Ų | 76 | 82 Ų | 82 | 53% | 0.531 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -69.3 | -30.9 | -179.8 | 70.6 | 0 | 0 | 0 | 0 | 113.5 | D653 | D653-S657 PolarHBondContact O-OG 3.16Å |
| 658 | D | 36 | Very low | 48.8 | Very low | 113 Ų | 113 | 75.3 Ų | 75.3 | 60% | 0.604 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -113.4 | 3 | -170.4 | -61.2 | 0.9 | 0 | 0 | 0 | 113.1 | T654 A656 | T654-D658 WeakPolarHBondContact O-CB 3.36Å; T654-D658 PolarHBondContact O-N 3.04Å; A656-D658 VanDerWaalsContact C-N 3.34Å; A656-D658 PolarHBondContact O-N 3.46Å |
| 659 | G | 43.5 | Very low | 50.8 | Low | 16 Ų | 16 | 69.2 Ų | 69.2 | 17% | 0.165 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | -176.8 | -162.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L655 G661 | L655-G659 CarbonylContact C-O 3.57Å; L655-G659 CarbonylContact O-C 3.43Å; L655-G659 WeakPolarHBondContact O-CA 3.39Å; L655-G659 PolarHBondContact O-N 3.5Å; G659-G661 PolarHBondContact O-N 2.93Å |
| 660 | L | 44.5 | Very low | 53.2 | Low | 29 Ų | 29 | 63.8 Ų | 63.8 | 15% | 0.152 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 14 | 172.8 | -85.6 | 157.7 | 0 | 0 | 0 | 114 | L655 F664 W666 | L655-L660 HydrophobicContact CD2-CD2 4.01Å; L660-F664 HydrophobicContact CB-CB 3.97Å; L660-F664 WeakPolarHBondContact CB-O 3.24Å; L660-F664 HydrophobicContact CD2-CB 4.43Å; L660-W666 HydrophobicContact CD1-CD2 3.48Å; L660-W666 VanDerWaalsContact CD1-CD2 3.48Å; L660-W666 HydrophobicContact CD1-CE3 3.81Å; L660-W666 HydrophobicContact CD1-CG 3.81Å; L660-W666 HydrophobicContact CD1-CH2 4.29Å; L660-W666 HydrophobicContact CD1-CZ2 4Å; L660-W666 HydrophobicContact CD1-CZ3 4.18Å; L660-W666 VanDerWaalsContact CD1-N 3.35Å; L660-W666 HydrophobicContact CG-CZ2 4.18Å |
| 661 | G | 49.1 | Very low | 55.4 | Low | 41 Ų | 41 | 59.3 Ų | 59.3 | 42% | 0.423 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | -179.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G659 E663 | G659-G661 PolarHBondContact O-N 2.93Å; G661-E663 PolarHBondContact O-N 3.46Å |
| 662 | K | 59.6 | Low | 57.7 | Low | 192 Ų | 192 | 53.8 Ų | 53.8 | 84% | 0.835 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -4.3 | 177.6 | -68.9 | -174.8 | 178.5 | -179.3 | 0 | 113.9 | I599 | I599-K662 VanDerWaalsContact CD1-C 3.48Å; I599-K662 WeakPolarHBondContact CD1-O 3.18Å |
| 663 | E | 65.3 | Low | 59.7 | Low | 137 Ų | 137 | 52.5 Ų | 52.5 | 64% | 0.64 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | -29.5 | -173.8 | -68.3 | 178.5 | -176.5 | 0 | 0 | 113.5 | P598 I599 G661 | P598-E663 WeakPolarHBondContact CA-O 3.5Å; I599-E663 PolarHBondContact N-O 3.17Å; G661-E663 PolarHBondContact O-N 3.46Å |
| 664 | F | 76 | Confident | 61.9 | Low | 83 Ų | 83 | 46.7 Ų | 46.7 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 152 | -175.7 | -68.7 | -90.3 | 0 | 0 | 0 | 111.9 | V597 P598 L660 | V597-F664 WeakPolarHBondContact O-CA 3.39Å; P598-F664 HydrophobicContact CB-CD1 4.41Å; P598-F664 HydrophobicContact CB-CE1 4.13Å; L660-F664 HydrophobicContact CB-CB 3.97Å; L660-F664 WeakPolarHBondContact CB-O 3.24Å; L660-F664 HydrophobicContact CD2-CB 4.43Å |
| 665 | V | 77.7 | Confident | 63.8 | Low | 6 Ų | 6 | 44.4 Ų | 44.4 | 4% | 0.036 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 159.8 | 176.2 | -78.3 | 0 | 0 | 0 | 0 | 109.7 | S596 V597 I599 R603 G672 | S596-V665 CarbonylContact C-O 3.51Å; S596-V665 WeakPolarHBondContact CA-O 3.38Å; V597-V665 HydrophobicContact CG2-CG2 4.05Å; V597-V665 PolarHBondContact N-O 3.16Å; V597-V665 PolarHBondContact O-N 3.04Å; I599-V665 HydrophobicContact CD1-CG1 3.8Å; I599-V665 HydrophobicContact CG1-CB 4.2Å; I599-V665 HydrophobicContact CG1-CG1 3.59Å; I599-V665 HydrophobicContact CG1-CG2 3.76Å; R603-V665 VanDerWaalsContact CD-CG2 3.41Å; V665-G672 WeakPolarHBondContact CB-O 3.49Å |
| 666 | W | 79 | Confident | 66 | Low | 54 Ų | 54 | 43 Ų | 43 | 21% | 0.205 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 142.4 | 173.6 | -62.7 | 111.8 | 0 | 0 | 0 | 110.3 | A593 R603 L660 W668 G672 C675 | A593-W666 WeakPolarHBondContact O-CH2 3.29Å; A593-W666 WeakPolarHBondContact O-CZ3 3.48Å; R603-W666 PolarHBondContact NH1-O 2.82Å; L660-W666 HydrophobicContact CD1-CD2 3.48Å; L660-W666 VanDerWaalsContact CD1-CD2 3.48Å; L660-W666 HydrophobicContact CD1-CE3 3.81Å; L660-W666 HydrophobicContact CD1-CG 3.81Å; L660-W666 HydrophobicContact CD1-CH2 4.29Å; L660-W666 HydrophobicContact CD1-CZ2 4Å; L660-W666 HydrophobicContact CD1-CZ3 4.18Å; L660-W666 VanDerWaalsContact CD1-N 3.35Å; L660-W666 HydrophobicContact CG-CZ2 4.18Å; W666-W668 PolarHBondContact O-N 2.78Å; W666-G672 WeakPolarHBondContact CB-O 3.03Å; W666-G672 PolarHBondContact N-O 2.87Å; W666-G672 WeakPolarHBondContact O-CA 3.35Å; W666-C675 HydrophobicContact CD2-CB 4.28Å; W666-C675 HydrophobicContact CG-CB 4.36Å |
| 667 | A | 77.3 | Confident | 67.9 | Low | 10 Ų | 10 | 42.8 Ų | 42.8 | 8% | 0.083 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -64.2 | -28.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I587 H595 V597 R603 | I587-A667 HydrophobicContact CG2-CB 3.94Å; H595-A667 HydrophobicContact CB-CB 4.42Å; H595-A667 PolarHBondContact O-N 2.79Å; V597-A667 HydrophobicContact CG1-CB 4.03Å; R603-A667 PolarHBondContact NH2-O 3.36Å |
| 668 | W | 81.3 | Confident | 70 | Confident | 14 Ų | 14 | 42.7 Ų | 42.7 | 5% | 0.053 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -83.7 | 154.1 | -178 | -179 | 68.7 | 0 | 0 | 0 | 113.9 | V382 V383 H623 W666 G672 E674 W676 I680 | V382-W668 HydrophobicContact CG2-CB 3.8Å; V382-W668 HydrophobicContact CG2-CG 3.55Å; V383-W668 PolarHBondContact O-NE1 2.86Å; H623-W668 AromaticContact CE1-CH2 3.32Å; H623-W668 WeakPolarHBondContact CE1-CH2 3.4Å; H623-W668 AromaticContact CE1-CZ2 3.82Å; H623-W668 AromaticContact ND1-CH2 3.63Å; W666-W668 PolarHBondContact O-N 2.78Å; W668-G672 WeakPolarHBondContact O-CA 3.42Å; W668-E674 HydrophobicContact CZ3-CB 4.05Å; W668-E674 HydrophobicContact CZ3-CG 3.85Å; W668-W676 HydrophobicContact CB-CB 4.34Å; W668-W676 HydrophobicContact CD2-CB 4.09Å; W668-W676 AromaticContact CD2-CE3 3.78Å; W668-W676 HydrophobicContact CD2-CE3 3.78Å; W668-W676 AromaticContact CE2-CE3 3.33Å; W668-W676 AromaticContact CE2-CZ3 3.76Å; W668-W676 HydrophobicContact CE3-CB 4.12Å; W668-W676 HydrophobicContact CE3-CE3 4.25Å; W668-W676 HydrophobicContact CG-CB 4.17Å; W668-W676 HydrophobicContact CG-CE3 4.33Å; W668-W676 AromaticContact CH2-CE3 3.9Å; W668-W676 HydrophobicContact CH2-CE3 3.9Å; W668-W676 HydrophobicContact CH2-CZ3 4.25Å; W668-W676 AromaticContact CZ2-CE3 3.42Å; W668-W676 HydrophobicContact CZ2-CE3 3.42Å; W668-W676 VanDerWaalsContact CZ2-CE3 3.42Å; W668-W676 AromaticContact CZ2-CZ3 3.55Å; W668-W676 HydrophobicContact CZ2-CZ3 3.55Å; W668-W676 HydrophobicContact CZ3-CE3 4.3Å; W668-W676 AromaticContact NE1-CE3 3.63Å; W668-W676 AromaticContact NE1-CZ3 3.91Å; W668-I680 HydrophobicContact CH2-CD1 4.18Å; W668-I680 HydrophobicContact CZ3-CD1 4.21Å |
| 669 | G | 76.7 | Confident | 72.1 | Confident | 5 Ų | 5 | 41.2 Ų | 41.2 | 5% | 0.052 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 153.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R603 T671 G672 | R603-G669 PolarHBondContact NH1-O 3.21Å; G669-T671 PolarHBondContact O-N 3.21Å; G669-G672 PolarHBondContact O-N 3.39Å |
| 670 | P | 78.5 | Confident | 74 | Confident | 25 Ų | 25 | 40.6 Ų | 40.6 | 16% | 0.162 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -28.8 | 172.7 | -25.4 | 36.5 | 0 | 0 | 0 | 113.7 | H415 F610 | H415-P670 WeakPolarHBondContact O-CA 3.28Å; F610-P670 HydrophobicContact CZ-CB 4.49Å |
| 671 | T | 79 | Confident | 76.1 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -33.5 | 179.5 | 68.8 | 0 | 0 | 0 | 0 | 113 | I607 F610 S618 Q620 G669 E673 | I607-T671 WeakPolarHBondContact CD1-O 3.44Å; F610-T671 HydrophobicContact CB-CG2 4.42Å; F610-T671 HydrophobicContact CD1-CG2 4.08Å; F610-T671 HydrophobicContact CD2-CG2 4.25Å; F610-T671 HydrophobicContact CE1-CG2 4.42Å; F610-T671 HydrophobicContact CG-CG2 3.99Å; S618-T671 VanDerWaalsContact O-CB 3.28Å; S618-T671 WeakPolarHBondContact O-CB 3.17Å; S618-T671 WeakPolarHBondContact O-CG2 3.49Å; S618-T671 PolarHBondContact O-OG1 2.88Å; S618-T671 VanDerWaalsContact O-OG1 3.1Å; Q620-T671 HydrophobicContact CG-CG2 4.17Å; G669-T671 PolarHBondContact O-N 3.21Å; T671-E673 PolarHBondContact O-N 3.14Å; T671-E673 PolarHBondContact OG1-N 2.99Å |
| 672 | G | 78.6 | Confident | 78 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | S | Bend | trans | 63.4 | -1.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | V665 W666 W668 G669 | V665-G672 WeakPolarHBondContact CB-O 3.49Å; W666-G672 WeakPolarHBondContact CB-O 3.03Å; W666-G672 PolarHBondContact N-O 2.87Å; W666-G672 WeakPolarHBondContact O-CA 3.35Å; W668-G672 WeakPolarHBondContact O-CA 3.42Å; G669-G672 PolarHBondContact O-N 3.39Å |
| 673 | E | 78.1 | Confident | 79.5 | Confident | 36 Ų | 36 | 34.3 Ų | 34.3 | 17% | 0.168 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -100.6 | 1 | 179.1 | -64.8 | -179 | 176.9 | 0 | 0 | 111.2 | R604 S618 K619 T671 | R604-E673 IonicContact NH2-OE1 3.95Å; S618-E673 WeakPolarHBondContact CA-OE2 3.17Å; S618-E673 WeakPolarHBondContact CB-OE2 3.44Å; S618-E673 PolarHBondContact N-OE2 3.44Å; S618-E673 PolarHBondContact OG-OE2 3.4Å; K619-E673 PolarHBondContact NZ-O 3.3Å; T671-E673 PolarHBondContact O-N 3.14Å; T671-E673 PolarHBondContact OG1-N 2.99Å |
| 674 | E | 77.4 | Confident | 80.8 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -111.6 | 125.6 | 173.2 | -162 | 178.2 | 163.7 | 0 | 0 | 109.5 | K619 H623 W668 I680 | K619-E674 HydrophobicContact CD-CB 4.06Å; K619-E674 HydrophobicContact CD-CG 3.99Å; H623-E674 IonicContact CE1-OE2 3.61Å; H623-E674 IonicContact CG-OE1 3.02Å; H623-E674 IonicContact CG-OE2 3.33Å; H623-E674 IonicContact ND1-OE1 2.76Å; H623-E674 PolarHBondContact ND1-OE1 3.46Å; H623-E674 IonicContact ND1-OE2 3.58Å; H623-E674 PolarHBondContact ND1-OE2 2.93Å; W668-E674 HydrophobicContact CZ3-CB 4.05Å; W668-E674 HydrophobicContact CZ3-CG 3.85Å; E674-I680 HydrophobicContact CG-CD1 4.45Å; E674-I680 WeakPolarHBondContact OE1-CD1 3.44Å |
| 675 | C | 76.7 | Confident | 81.6 | Confident | 31 Ų | 31 | 25.3 Ų | 25.3 | 21% | 0.209 | 14% | 0.142 | C | C | . | . | trans | -81.6 | 139 | 174.5 | -169.1 | 0 | 0 | 0 | 0 | 109.3 | W666 N677 | W666-C675 HydrophobicContact CD2-CB 4.28Å; W666-C675 HydrophobicContact CG-CB 4.36Å; C675-N677 PolarHBondContact O-N 2.8Å | ||
| 676 | W | 79.5 | Confident | 82.4 | Confident | 16 Ų | 16 | 28 Ų | 28 | 6% | 0.061 | 15% | 0.152 | C | C | . | . | trans | -63.9 | 136 | 174.1 | 175.2 | -98 | 0 | 0 | 0 | 110.8 | Q378 F380 H381 V382 V383 P592 W668 | Q378-W676 HydrophobicContact CG-CH2 4.48Å; F380-W676 PolarHBondContact O-NE1 2.94Å; H381-W676 WeakPolarHBondContact O-CZ2 3.34Å; V382-W676 HydrophobicContact CB-CD2 4.31Å; V382-W676 HydrophobicContact CB-CG 4.2Å; V382-W676 HydrophobicContact CG2-CB 4.31Å; V382-W676 HydrophobicContact CG2-CD2 4.27Å; V382-W676 HydrophobicContact CG2-CG 4.19Å; V383-W676 HydrophobicContact CG2-CH2 3.69Å; V383-W676 HydrophobicContact CG2-CZ2 4.48Å; V383-W676 HydrophobicContact CG2-CZ3 4.14Å; P592-W676 HydrophobicContact CB-CB 4.08Å; P592-W676 HydrophobicContact CG-CB 3.83Å; P592-W676 VanDerWaalsContact CG-CD1 3.41Å; P592-W676 HydrophobicContact CG-CG 3.88Å; W668-W676 HydrophobicContact CB-CB 4.34Å; W668-W676 HydrophobicContact CD2-CB 4.09Å; W668-W676 AromaticContact CD2-CE3 3.78Å; W668-W676 HydrophobicContact CD2-CE3 3.78Å; W668-W676 AromaticContact CE2-CE3 3.33Å; W668-W676 AromaticContact CE2-CZ3 3.76Å; W668-W676 HydrophobicContact CE3-CB 4.12Å; W668-W676 HydrophobicContact CE3-CE3 4.25Å; W668-W676 HydrophobicContact CG-CB 4.17Å; W668-W676 HydrophobicContact CG-CE3 4.33Å; W668-W676 AromaticContact CH2-CE3 3.9Å; W668-W676 HydrophobicContact CH2-CE3 3.9Å; W668-W676 HydrophobicContact CH2-CZ3 4.25Å; W668-W676 AromaticContact CZ2-CE3 3.42Å; W668-W676 HydrophobicContact CZ2-CE3 3.42Å; W668-W676 VanDerWaalsContact CZ2-CE3 3.42Å; W668-W676 AromaticContact CZ2-CZ3 3.55Å; W668-W676 HydrophobicContact CZ2-CZ3 3.55Å; W668-W676 HydrophobicContact CZ3-CE3 4.3Å; W668-W676 AromaticContact NE1-CE3 3.63Å; W668-W676 AromaticContact NE1-CZ3 3.91Å | ||
| 677 | N | 76.6 | Confident | 83 | Confident | 12 Ų | 12 | 27.7 Ų | 27.7 | 6% | 0.064 | 15% | 0.152 | C | C | . | . | trans | -136.6 | 130.3 | 174.8 | -178.1 | -18.3 | 0 | 0 | 0 | 109.3 | Y625 C675 E679 I680 | Y625-N677 HydrophobicContact CE1-CB 4.07Å; Y625-N677 WeakPolarHBondContact CE1-ND2 3.37Å; C675-N677 PolarHBondContact O-N 2.8Å; N677-E679 PolarHBondContact O-N 2.9Å; N677-E679 WeakPolarHBondContact OD1-CB 3.38Å; N677-E679 PolarHBondContact OD1-N 3.37Å; N677-I680 HydrophobicContact CB-CD1 4.29Å; N677-I680 HydrophobicContact CB-CG1 4.32Å; N677-I680 WeakPolarHBondContact O-CB 3.48Å; N677-I680 PolarHBondContact O-N 3.16Å | ||
| 678 | P | 79.7 | Confident | 83.7 | Confident | 74 Ų | 74 | 28.1 Ų | 28.1 | 48% | 0.481 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -20.3 | 174.6 | -25 | 34.3 | 0 | 0 | 0 | 115.1 | F380 | F380-P678 HydrophobicContact CD1-CB 4.46Š|
| 679 | E | 79.8 | Confident | 84.3 | Confident | 82 Ų | 82 | 27.5 Ų | 27.5 | 38% | 0.383 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -9.8 | 175.9 | -59.5 | -177.4 | 169.2 | 0 | 0 | 113.7 | Y626 N677 V681 | Y626-E679 WeakPolarHBondContact CE2-OE2 3.45Å; Y626-E679 VanDerWaalsContact CZ-OE2 3.29Å; Y626-E679 PolarHBondContact OH-OE1 3.21Å; Y626-E679 VanDerWaalsContact OH-OE1 3.09Å; Y626-E679 PolarHBondContact OH-OE2 2.64Å; N677-E679 PolarHBondContact O-N 2.9Å; N677-E679 WeakPolarHBondContact OD1-CB 3.38Å; N677-E679 PolarHBondContact OD1-N 3.37Å; E679-V681 PolarHBondContact O-N 2.71Å |
| 680 | I | 83.5 | Confident | 85.2 | Confident | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.015 | 15% | 0.151 | C | C | . | . | trans | -66.3 | 131.7 | 174.4 | -91.7 | 169.7 | 0 | 0 | 0 | 109.3 | Q378 Y625 W668 E674 N677 V682 | Q378-I680 PolarHBondContact NE2-O 3.25Å; Y625-I680 HydrophobicContact CD1-CG1 4.13Å; Y625-I680 HydrophobicContact CE1-CD1 4.14Å; Y625-I680 HydrophobicContact CE1-CG1 3.46Å; Y625-I680 VanDerWaalsContact CE1-CG1 3.46Å; Y625-I680 HydrophobicContact CE2-CG1 4.47Å; Y625-I680 WeakPolarHBondContact OH-CD1 3.37Å; W668-I680 HydrophobicContact CH2-CD1 4.18Å; W668-I680 HydrophobicContact CZ3-CD1 4.21Å; E674-I680 HydrophobicContact CG-CD1 4.45Å; E674-I680 WeakPolarHBondContact OE1-CD1 3.44Å; N677-I680 HydrophobicContact CB-CD1 4.29Å; N677-I680 HydrophobicContact CB-CG1 4.32Å; N677-I680 WeakPolarHBondContact O-CB 3.48Å; N677-I680 PolarHBondContact O-N 3.16Å; I680-V682 HydrophobicContact CG2-CG2 3.48Å; I680-V682 VanDerWaalsContact CG2-CG2 3.48Å | ||
| 681 | V | 87.9 | Confident | 85.8 | Confident | 77 Ų | 77 | 26.7 Ų | 26.7 | 47% | 0.467 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 115.8 | 166.8 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | F624 E679 | F624-V681 PolarHBondContact N-O 3.34Å; F624-V681 PolarHBondContact O-N 2.74Å; E679-V681 PolarHBondContact O-N 2.71Å |
| 682 | V | 89.9 | Confident | 86.4 | Confident | 7 Ų | 7 | 26.8 Ų | 26.8 | 4% | 0.042 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 99.7 | 179.3 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | T419 Y421 I680 | T419-V682 WeakPolarHBondContact O-CG1 3.39Å; Y421-V682 HydrophobicContact CD2-CB 4.03Å; Y421-V682 HydrophobicContact CD2-CG1 4.38Å; Y421-V682 HydrophobicContact CE2-CB 4.48Å; Y421-V682 PolarHBondContact N-O 2.77Å; I680-V682 HydrophobicContact CG2-CG2 3.48Å; I680-V682 VanDerWaalsContact CG2-CG2 3.48Å |
| 683 | C | 91.3 | Very high | 86.9 | Confident | 47 Ų | 47 | 27.9 Ų | 27.9 | 32% | 0.318 | 16% | 0.155 | S | C | . | . | trans | -82.4 | 170.9 | 177.4 | -63.8 | 0 | 0 | 0 | 0 | 111.7 | S420 H622 F624 D685 | S420-C683 PolarHBondContact OG-O 2.82Å; H622-C683 PolarHBondContact CD2-O 3.13Å; H622-C683 PolarHBondContact O-N 2.57Å; F624-C683 HydrophobicContact CD2-CB 4.28Å; F624-C683 HydrophobicContact CE2-CB 4.01Å; C683-D685 PolarHBondContact O-N 3.2Å | ||
| 684 | V | 93.3 | Very high | 87.5 | Confident | 10 Ų | 10 | 27.1 Ų | 27.1 | 6% | 0.061 | 15% | 0.153 | C | C | . | . | trans | -61.7 | 124.1 | 173.6 | -178.4 | 0 | 0 | 0 | 0 | 112.2 | F204 Y421 Y422 W686 L689 | F204-V684 HydrophobicContact CE2-CG1 4.27Å; Y421-V684 WeakPolarHBondContact O-CG2 3.38Å; Y422-V684 HydrophobicContact CD2-CG2 3.95Å; Y422-V684 HydrophobicContact CG-CG2 4.46Å; V684-W686 VanDerWaalsContact C-N 3.25Å; V684-W686 HydrophobicContact CB-CD2 4.12Å; V684-W686 HydrophobicContact CB-CH2 4.39Å; V684-W686 HydrophobicContact CB-CZ2 3.83Å; V684-W686 HydrophobicContact CG1-CD2 3.62Å; V684-W686 HydrophobicContact CG1-CE3 3.7Å; V684-W686 HydrophobicContact CG1-CG 4.28Å; V684-W686 HydrophobicContact CG1-CH2 3.93Å; V684-W686 HydrophobicContact CG1-CZ2 3.81Å; V684-W686 HydrophobicContact CG1-CZ3 3.87Å; V684-W686 HydrophobicContact CG2-CZ2 4.17Å; V684-W686 VanDerWaalsContact O-CD1 3.28Å; V684-W686 PolarHBondContact O-N 2.81Å; V684-L689 HydrophobicContact CG1-CD1 3.46Å; V684-L689 VanDerWaalsContact CG1-CD1 3.46Å | ||
| 685 | D | 92.3 | Very high | 88.2 | Confident | 20 Ų | 20 | 28.5 Ų | 28.5 | 11% | 0.107 | 16% | 0.16 | C | C | . | . | trans | -72.8 | 78.2 | 169.2 | -164.3 | -23.8 | 0 | 0 | 0 | 111.8 | S420 H622 C683 K687 S688 L689 | S420-D685 PolarHBondContact OG-N 3.2Å; S420-D685 VanDerWaalsContact OG-N 3.16Å; H622-D685 HydrophobicContact CB-CB 4.42Å; H622-D685 IonicContact CE1-OD2 3.78Å; H622-D685 PolarHBondContact CE1-OD2 2.86Å; H622-D685 WeakPolarHBondContact ND1-CB 3.34Å; H622-D685 VanDerWaalsContact ND1-CG 3.29Å; H622-D685 IonicContact ND1-OD2 3.35Å; H622-D685 PolarHBondContact ND1-OD2 3Å; C683-D685 PolarHBondContact O-N 3.2Å; D685-K687 PolarHBondContact O-N 2.95Å; D685-K687 VanDerWaalsContact O-N 3.14Å; D685-K687 PolarHBondContact OD1-N 3.03Å; D685-S688 PolarHBondContact O-N 3.41Å; D685-S688 PolarHBondContact OD1-N 2.9Å; D685-L689 WeakPolarHBondContact O-CG 3.42Å; D685-L689 PolarHBondContact O-N 2.87Å; D685-L689 VanDerWaalsContact O-N 3.14Å | ||
| 686 | W | 94.4 | Very high | 88.9 | Confident | 64 Ų | 64 | 27.4 Ų | 27.4 | 24% | 0.242 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.2 | -24.5 | 177.4 | -62.8 | 113.3 | 0 | 0 | 0 | 113.5 | F204 D207 L208 K211 Y422 V684 L689 T690 | F204-W686 HydrophobicContact CD2-CH2 4.19Å; F204-W686 HydrophobicContact CE2-CH2 4.23Å; F204-W686 HydrophobicContact CE2-CZ3 4.17Å; D207-W686 HydrophobicContact CB-CH2 3.85Å; L208-W686 HydrophobicContact CB-CZ3 4.36Å; K211-W686 HydrophobicContact CD-CB 4.19Å; K211-W686 HydrophobicContact CD-CD2 3.38Å; K211-W686 HydrophobicContact CD-CE3 3.2Å; K211-W686 HydrophobicContact CD-CG 3.82Å; K211-W686 HydrophobicContact CD-CH2 4.31Å; K211-W686 HydrophobicContact CD-CZ2 4.47Å; K211-W686 HydrophobicContact CD-CZ3 3.71Å; Y422-W686 HydrophobicContact CD2-CH2 4.39Å; Y422-W686 HydrophobicContact CD2-CZ2 4.4Å; Y422-W686 HydrophobicContact CE2-CH2 4.28Å; Y422-W686 HydrophobicContact CE2-CZ2 4.35Å; V684-W686 VanDerWaalsContact C-N 3.25Å; V684-W686 HydrophobicContact CB-CD2 4.12Å; V684-W686 HydrophobicContact CB-CH2 4.39Å; V684-W686 HydrophobicContact CB-CZ2 3.83Å; V684-W686 HydrophobicContact CG1-CD2 3.62Å; V684-W686 HydrophobicContact CG1-CE3 3.7Å; V684-W686 HydrophobicContact CG1-CG 4.28Å; V684-W686 HydrophobicContact CG1-CH2 3.93Å; V684-W686 HydrophobicContact CG1-CZ2 3.81Å; V684-W686 HydrophobicContact CG1-CZ3 3.87Å; V684-W686 HydrophobicContact CG2-CZ2 4.17Å; V684-W686 VanDerWaalsContact O-CD1 3.28Å; V684-W686 PolarHBondContact O-N 2.81Å; W686-L689 HydrophobicContact CE3-CD1 4.29Å; W686-L689 HydrophobicContact CZ3-CD1 4.46Å; W686-T690 WeakPolarHBondContact O-CB 3.36Å; W686-T690 WeakPolarHBondContact O-CG2 3.36Å; W686-T690 PolarHBondContact O-N 3.06Å; W686-T690 PolarHBondContact O-OG1 3.49Å |
| 687 | K | 91.2 | Very high | 89.5 | Confident | 47 Ų | 47 | 26.9 Ų | 26.9 | 20% | 0.204 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -75 | -43.4 | -178.9 | -159.4 | -176 | 177.1 | -176.8 | 0 | 109.9 | E106 E148 D685 T690 L691 | E106-K687 WeakPolarHBondContact OE1-CE 3.37Å; E106-K687 IonicContact OE1-NZ 2.75Å; E106-K687 PolarHBondContact OE1-NZ 3.26Å; E106-K687 IonicContact OE2-NZ 3.03Å; E106-K687 PolarHBondContact OE2-NZ 2.78Å; E148-K687 WeakPolarHBondContact OE1-CE 3.42Å; E148-K687 IonicContact OE1-NZ 3.74Å; E148-K687 PolarHBondContact OE1-NZ 3.3Å; E148-K687 IonicContact OE2-NZ 2.75Å; E148-K687 PolarHBondContact OE2-NZ 3.45Å; D685-K687 PolarHBondContact O-N 2.95Å; D685-K687 VanDerWaalsContact O-N 3.14Å; D685-K687 PolarHBondContact OD1-N 3.03Å; K687-T690 PolarHBondContact O-N 2.93Å; K687-L691 CarbonylContact O-C 3.47Å; K687-L691 WeakPolarHBondContact O-CA 3.43Å; K687-L691 PolarHBondContact O-N 3.23Å |
| 688 | S | 91.5 | Very high | 90.3 | Very high | 19 Ų | 19 | 26.6 Ų | 26.6 | 13% | 0.133 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.4 | -46.3 | 173.1 | -168.5 | 0 | 0 | 0 | 0 | 111.9 | D371 D685 T690 | D371-S688 WeakPolarHBondContact OD2-CB 3.32Å; D371-S688 PolarHBondContact OD2-OG 3.38Å; D685-S688 PolarHBondContact O-N 3.41Å; D685-S688 PolarHBondContact OD1-N 2.9Å; S688-T690 VanDerWaalsContact C-N 3.31Å; S688-T690 PolarHBondContact O-N 3.37Å |
| 689 | L | 94.7 | Very high | 90.8 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -71.1 | -19.4 | -176.9 | -62.3 | 179.9 | 0 | 0 | 0 | 115 | F204 L208 W212 I340 D371 V373 V684 D685 W686 | F204-L689 HydrophobicContact CE2-CD1 4Å; F204-L689 HydrophobicContact CZ-CD1 3.98Å; L208-L689 HydrophobicContact CD1-CB 3.88Å; L208-L689 HydrophobicContact CD1-CD1 4.45Å; W212-L689 PolarHBondContact NE1-O 3.13Å; I340-L689 HydrophobicContact CD1-CD2 3.75Å; I340-L689 HydrophobicContact CG1-CD2 3.78Å; I340-L689 HydrophobicContact CG2-CD2 4.16Å; D371-L689 HydrophobicContact CB-CD2 3.69Å; V373-L689 HydrophobicContact CG2-CD1 4.3Å; V684-L689 HydrophobicContact CG1-CD1 3.46Å; V684-L689 VanDerWaalsContact CG1-CD1 3.46Å; D685-L689 WeakPolarHBondContact O-CG 3.42Å; D685-L689 PolarHBondContact O-N 2.87Å; D685-L689 VanDerWaalsContact O-N 3.14Å; W686-L689 HydrophobicContact CE3-CD1 4.29Å; W686-L689 HydrophobicContact CZ3-CD1 4.46Å |
| 690 | T | 94.2 | Very high | 91 | Very high | 6 Ų | 6 | 22 Ų | 22 | 4% | 0.037 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -107.1 | -37.6 | -178.3 | 58.7 | 0 | 0 | 0 | 0 | 112.9 | K211 C217 H219 W686 K687 S688 | K211-T690 HydrophobicContact CB-CG2 3.78Å; C217-T690 PolarHBondContact SG-O 3.46Å; H219-T690 PolarHBondContact CE1-O 2.95Å; H219-T690 PolarHBondContact NE2-O 3.35Å; H219-T690 VanDerWaalsContact NE2-O 3.07Å; W686-T690 WeakPolarHBondContact O-CB 3.36Å; W686-T690 WeakPolarHBondContact O-CG2 3.36Å; W686-T690 PolarHBondContact O-N 3.06Å; W686-T690 PolarHBondContact O-OG1 3.49Å; K687-T690 PolarHBondContact O-N 2.93Å; S688-T690 VanDerWaalsContact C-N 3.31Å; S688-T690 PolarHBondContact O-N 3.37Å |
| 691 | L | 91.9 | Very high | 91.2 | Very high | 6 Ų | 6 | 23.7 Ų | 23.7 | 3% | 0.031 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -131.6 | 72 | -175.9 | -62 | 174.3 | 0 | 0 | 0 | 108.4 | R170 N172 K687 A693 | R170-L691 HydrophobicContact CB-CB 4.33Å; R170-L691 WeakPolarHBondContact CD-O 3.36Å; R170-L691 PolarHBondContact NH1-O 3.04Å; N172-L691 HydrophobicContact CB-CD2 4.32Å; N172-L691 WeakPolarHBondContact ND2-CD2 3.47Å; N172-L691 WeakPolarHBondContact OD1-CD2 3.37Å; K687-L691 CarbonylContact O-C 3.47Å; K687-L691 WeakPolarHBondContact O-CA 3.43Å; K687-L691 PolarHBondContact O-N 3.23Å; L691-A693 PolarHBondContact O-N 3.17Å |
| 692 | P | 91.7 | Very high | 91.2 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.013 | 11% | 0.112 | C | C | . | . | P | Polyproline II helix | trans | -55.8 | 133.5 | 179 | 22.1 | -33.4 | 0 | 0 | 0 | 110.3 | S171 A174 L338 | S171-P692 PolarHBondContact N-O 3.22Å; S171-P692 VanDerWaalsContact N-O 3.11Å; S171-P692 WeakPolarHBondContact O-CD 3.35Å; A174-P692 HydrophobicContact CB-CG 3.6Å; L338-P692 HydrophobicContact CB-CB 4.29Å; L338-P692 HydrophobicContact CD2-CB 4.37Å |
| 693 | A | 89.5 | Confident | 90.9 | Very high | 24 Ų | 24 | 20.5 Ų | 20.5 | 20% | 0.198 | 11% | 0.111 | C | C | . | . | B | Isolated β-bridge | trans | -74.2 | 140.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | W606 L691 | W606-A693 HydrophobicContact CZ3-CB 3.96Å; L691-A693 PolarHBondContact O-N 3.17Å |
| 694 | C | 91.4 | Very high | 90.5 | Very high | 20 Ų | 20 | 21.8 Ų | 21.8 | 14% | 0.135 | 12% | 0.115 | C | C | . | . | P | Polyproline II helix | trans | -77.4 | 149.2 | 164 | -60.3 | 0 | 0 | 0 | 0 | 109.2 | F169 | F169-C694 HydrophobicContact CB-CB 4.19Å; F169-C694 PolarHBondContact O-N 3.02Å |
| 695 | L | 90.2 | Very high | 89.9 | Confident | 31 Ų | 31 | 23.2 Ų | 23.2 | 16% | 0.162 | 12% | 0.122 | C | C | . | . | P | Polyproline II helix | trans | -51.1 | 128.7 | 173.7 | -179 | 74.8 | 0 | 0 | 0 | 109.9 | W606 Q753 | W606-L695 HydrophobicContact CD2-CD1 4.39Å; W606-L695 VanDerWaalsContact CH2-CA 3.49Å; W606-L695 HydrophobicContact CH2-CB 4.18Å; W606-L695 HydrophobicContact CH2-CD1 4.32Å; W606-L695 HydrophobicContact CZ2-CB 4.22Å; W606-L695 HydrophobicContact CZ2-CD1 3.66Å; L695-Q753 HydrophobicContact CD2-CG 4.31Å |
| 696 | P | 91.6 | Very high | 89.4 | Confident | 7 Ų | 7 | 28.7 Ų | 28.7 | 5% | 0.045 | 15% | 0.147 | C | C | . | . | P | Polyproline II helix | trans | -58.9 | 139.9 | 178.6 | -26.4 | 36.3 | 0 | 0 | 0 | 111.8 | W606 V609 T698 Q753 | W606-P696 HydrophobicContact CE3-CG 4.12Å; V609-P696 HydrophobicContact CB-CG 4.37Å; V609-P696 HydrophobicContact CG1-CB 3.95Å; V609-P696 HydrophobicContact CG1-CG 3.94Å; V609-P696 HydrophobicContact CG2-CB 4.43Å; V609-P696 HydrophobicContact CG2-CG 3.51Å; P696-T698 PolarHBondContact O-N 3.08Å; P696-Q753 VanDerWaalsContact O-CG 3.29Å; P696-Q753 WeakPolarHBondContact O-CG 3.3Å; P696-Q753 PolarHBondContact O-NE2 3.45Å |
| 697 | I | 93 | Very high | 88.9 | Confident | 5 Ų | 5 | 27.8 Ų | 27.8 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -76.9 | -5.2 | 176.6 | 56.1 | 167.9 | 0 | 0 | 0 | 113.4 | C119 Y120 R123 I754 | C119-I697 HydrophobicContact CB-CG2 3.93Å; Y120-I697 HydrophobicContact CD2-CD1 4.48Å; R123-I697 HydrophobicContact CB-CD1 4.18Å; I697-I754 PolarHBondContact O-N 2.81Å |
| 698 | T | 92.8 | Very high | 88.5 | Confident | 7 Ų | 7 | 25.7 Ų | 25.7 | 4% | 0.043 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 162.4 | 178.2 | 59.5 | 0 | 0 | 0 | 0 | 110.7 | H608 P696 Q753 I754 Q756 | H608-T698 PolarHBondContact CE1-O 3.41Å; H608-T698 VanDerWaalsContact NE2-C 3.34Å; H608-T698 PolarHBondContact NE2-O 2.86Å; H608-T698 PolarHBondContact NE2-OG1 3.08Å; H608-T698 VanDerWaalsContact NE2-OG1 3.11Å; P696-T698 PolarHBondContact O-N 3.08Å; T698-Q753 PolarHBondContact O-NE2 3.14Å; T698-Q753 VanDerWaalsContact O-NE2 3.1Å; T698-I754 CarbonylContact C-O 3.55Å; T698-I754 WeakPolarHBondContact CA-O 3.49Å; T698-I754 HydrophobicContact CG2-CB 4.29Å; T698-Q756 VanDerWaalsContact CG2-CD 3.49Å; T698-Q756 HydrophobicContact CG2-CG 4.04Å; T698-Q756 VanDerWaalsContact CG2-OE1 3.3Å |
| 699 | T | 90.8 | Very high | 88.2 | Confident | 9 Ų | 9 | 30.6 Ų | 30.6 | 6% | 0.055 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 153.7 | 168.8 | -178 | 0 | 0 | 0 | 0 | 108.5 | F701 Q753 I754 I755 Q756 | T699-F701 PolarHBondContact OG1-N 3.22Å; T699-Q753 HydrophobicContact CG2-CB 3.94Å; T699-I754 PolarHBondContact N-O 3.01Å; T699-I755 HydrophobicContact CG2-CG1 3.84Å; T699-I755 CarbonylContact O-C 3.59Å; T699-I755 WeakPolarHBondContact O-CA 2.97Å; T699-Q756 PolarHBondContact O-N 2.7Å |
| 700 | D | 84.9 | Confident | 87.8 | Confident | 50 Ų | 50 | 35.1 Ų | 35.1 | 27% | 0.267 | 18% | 0.179 | S | C | . | . | trans | -100.3 | 2.3 | 178.4 | 63.9 | -12 | 0 | 0 | 0 | 113.4 | R604 H608 Q756 T757 | R604-D700 WeakPolarHBondContact CD-OD1 3.39Å; R604-D700 IonicContact NH1-OD1 2.91Å; R604-D700 IonicContact NH1-OD2 2.87Å; R604-D700 PolarHBondContact NH1-OD2 3.32Å; H608-D700 HydrophobicContact CB-CB 4.39Å; D700-Q756 WeakPolarHBondContact CA-O 3.48Å; D700-T757 WeakPolarHBondContact O-CB 3.41Å; D700-T757 PolarHBondContact O-OG1 3.4Å | ||
| 701 | F | 86.8 | Confident | 87.5 | Confident | 38 Ų | 38 | 39 Ų | 39 | 17% | 0.167 | 20% | 0.2 | C | C | . | . | trans | -97.3 | 133.6 | -177.2 | -176.2 | -91.7 | 0 | 0 | 0 | 113.2 | I599 A601 R604 T699 P703 Y788 | I599-F701 HydrophobicContact CG2-CD2 3.65Å; I599-F701 HydrophobicContact CG2-CE2 3.71Å; A601-F701 HydrophobicContact CB-CD1 3.52Å; A601-F701 HydrophobicContact CB-CE1 3.58Å; A601-F701 HydrophobicContact CB-CG 4.49Å; R604-F701 HydrophobicContact CB-CB 3.61Å; R604-F701 HydrophobicContact CB-CD2 4.48Å; R604-F701 HydrophobicContact CB-CG 4.22Å; R604-F701 HydrophobicContact CG-CB 3.97Å; R604-F701 HydrophobicContact CG-CD2 4.08Å; R604-F701 HydrophobicContact CG-CG 4.31Å; T699-F701 PolarHBondContact OG1-N 3.22Å; F701-P703 HydrophobicContact CE1-CG 4.24Å; F701-Y788 WeakPolarHBondContact CE1-OH 3.25Å | ||
| 702 | F | 87.9 | Confident | 87.3 | Confident | 13 Ų | 13 | 39.7 Ų | 39.7 | 6% | 0.057 | 20% | 0.202 | C | C | . | . | trans | -144.5 | 140.1 | 164.9 | -171.5 | -114.8 | 0 | 0 | 0 | 108.9 | L708 I755 T757 L761 L762 A765 F781 Y788 | F702-L708 HydrophobicContact CE1-CD1 3.65Å; F702-L708 HydrophobicContact CZ-CD1 3.82Å; F702-I755 HydrophobicContact CB-CG2 4Å; F702-I755 HydrophobicContact CD2-CD1 3.67Å; F702-I755 HydrophobicContact CE2-CD1 4.3Å; F702-T757 HydrophobicContact CB-CG2 4.18Å; F702-L761 HydrophobicContact CB-CD2 4.36Å; F702-L761 HydrophobicContact CD1-CD2 3.82Å; F702-L762 HydrophobicContact CB-CD2 4.3Å; F702-L762 HydrophobicContact CD1-CD2 3.77Å; F702-L762 HydrophobicContact CD2-CD2 4.4Å; F702-L762 HydrophobicContact CE1-CD2 4.12Å; F702-L762 HydrophobicContact CG-CD2 3.9Å; F702-A765 HydrophobicContact CE1-CB 4.09Å; F702-F781 HydrophobicContact CE2-CD1 4.37Å; F702-F781 HydrophobicContact CZ-CD1 4.38Å; F702-F781 HydrophobicContact CZ-CE1 4.47Å; F702-Y788 AromaticContact CD2-CD1 3.92Å; F702-Y788 HydrophobicContact CD2-CD1 3.92Å; F702-Y788 HydrophobicContact CD2-CE1 4.33Å; F702-Y788 HydrophobicContact CD2-CG 4.29Å; F702-Y788 HydrophobicContact CE2-CD1 4.08Å; F702-Y788 AromaticContact CE2-CG 4Å; F702-Y788 HydrophobicContact CE2-CG 4Å | ||
| 703 | P | 84.8 | Confident | 87.2 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.032 | 22% | 0.22 | C | C | . | . | trans | -62.9 | 147.2 | 179.2 | -17 | 29.3 | 0 | 0 | 0 | 111.4 | F701 T707 L708 Y788 | F701-P703 HydrophobicContact CE1-CG 4.24Å; P703-T707 HydrophobicContact CB-CG2 4.07Å; P703-L708 HydrophobicContact CB-CD2 4.08Å; P703-L708 HydrophobicContact CB-CG 4.08Å; P703-L708 HydrophobicContact CG-CD2 4.19Å; P703-Y788 VanDerWaalsContact CD-CZ 3.4Å; P703-Y788 HydrophobicContact CG-CD2 4.06Å; P703-Y788 HydrophobicContact CG-CE1 4.18Å; P703-Y788 HydrophobicContact CG-CE2 3.32Å; P703-Y788 WeakPolarHBondContact CG-OH 3.48Å | ||
| 704 | D | 80.8 | Confident | 87.2 | Confident | 74 Ų | 74 | 45.4 Ų | 45.4 | 40% | 0.396 | 22% | 0.224 | S | C | . | . | trans | -68.5 | 169.4 | 173.2 | 65.7 | 34.8 | 0 | 0 | 0 | 112.2 | E706 T707 L708 | D704-E706 VanDerWaalsContact C-N 3.28Å; D704-E706 PolarHBondContact O-N 3.44Å; D704-E706 PolarHBondContact OD1-N 2.91Å; D704-T707 PolarHBondContact O-N 3.3Å; D704-T707 WeakPolarHBondContact OD1-CB 3.37Å; D704-T707 PolarHBondContact OD1-N 2.84Å; D704-T707 PolarHBondContact OD1-OG1 3.06Å; D704-L708 VanDerWaalsContact O-CG 3.29Å; D704-L708 WeakPolarHBondContact O-CG 3.39Å; D704-L708 PolarHBondContact O-N 2.84Å | ||
| 705 | L | 81.2 | Confident | 87.1 | Confident | 39 Ų | 39 | 46.3 Ų | 46.3 | 20% | 0.204 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.6 | -32.3 | -176.1 | -178.5 | 62.4 | 0 | 0 | 0 | 113.2 | R709 I769 | L705-R709 VanDerWaalsContact CD2-NH2 3.3Å; L705-R709 VanDerWaalsContact O-CG 3.26Å; L705-R709 WeakPolarHBondContact O-CG 3.38Å; L705-R709 PolarHBondContact O-N 2.71Å; L705-R709 VanDerWaalsContact O-N 3.14Å; L705-I769 HydrophobicContact CD1-CD1 3.82Å; L705-I769 HydrophobicContact CD1-CG1 4.06Å |
| 706 | E | 82.3 | Confident | 87.1 | Confident | 135 Ų | 135 | 48 Ų | 48 | 63% | 0.631 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -72.5 | -47.7 | -178.7 | -176.1 | 164.8 | -172.4 | 0 | 0 | 110.8 | D704 L708 R709 N710 | D704-E706 VanDerWaalsContact C-N 3.28Å; D704-E706 PolarHBondContact O-N 3.44Å; D704-E706 PolarHBondContact OD1-N 2.91Å; E706-L708 VanDerWaalsContact C-N 3.33Å; E706-L708 PolarHBondContact O-N 2.93Å; E706-R709 PolarHBondContact O-N 3.29Å; E706-R709 VanDerWaalsContact O-N 3.12Å; E706-N710 WeakPolarHBondContact CG-ND2 3.43Å; E706-N710 WeakPolarHBondContact O-CB 3.42Å; E706-N710 VanDerWaalsContact O-CG 3.3Å; E706-N710 PolarHBondContact O-N 3.1Å; E706-N710 PolarHBondContact O-ND2 3.04Å |
| 707 | T | 83.3 | Confident | 87.1 | Confident | 45 Ų | 45 | 49.2 Ų | 49.2 | 28% | 0.276 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.9 | -45.8 | 173 | -54.6 | 0 | 0 | 0 | 0 | 110.7 | P703 D704 R709 N710 D711 Y712 | P703-T707 HydrophobicContact CB-CG2 4.07Å; D704-T707 PolarHBondContact O-N 3.3Å; D704-T707 WeakPolarHBondContact OD1-CB 3.37Å; D704-T707 PolarHBondContact OD1-N 2.84Å; D704-T707 PolarHBondContact OD1-OG1 3.06Å; T707-R709 VanDerWaalsContact C-N 3.32Å; T707-R709 PolarHBondContact O-N 3.15Å; T707-N710 PolarHBondContact O-N 2.86Å; T707-D711 HydrophobicContact CG2-CB 4.45Å; T707-D711 WeakPolarHBondContact O-CB 3.33Å; T707-D711 PolarHBondContact O-N 2.89Å; T707-Y712 HydrophobicContact CG2-CD2 4.49Å; T707-Y712 HydrophobicContact CG2-CE2 4.03Å |
| 708 | L | 84.4 | Confident | 87 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.2 | -35.7 | 177.1 | -71.9 | 172.4 | 0 | 0 | 0 | 113.2 | F702 P703 D704 E706 Y712 A765 I769 F803 | F702-L708 HydrophobicContact CE1-CD1 3.65Å; F702-L708 HydrophobicContact CZ-CD1 3.82Å; P703-L708 HydrophobicContact CB-CD2 4.08Å; P703-L708 HydrophobicContact CB-CG 4.08Å; P703-L708 HydrophobicContact CG-CD2 4.19Å; D704-L708 VanDerWaalsContact O-CG 3.29Å; D704-L708 WeakPolarHBondContact O-CG 3.39Å; D704-L708 PolarHBondContact O-N 2.84Å; E706-L708 VanDerWaalsContact C-N 3.33Å; E706-L708 PolarHBondContact O-N 2.93Å; L708-Y712 HydrophobicContact CD2-CD2 4.28Å; L708-Y712 HydrophobicContact CD2-CG 4.19Å; L708-Y712 WeakPolarHBondContact O-CB 3.32Å; L708-Y712 PolarHBondContact O-N 2.71Å; L708-A765 HydrophobicContact CD1-CB 3.84Å; L708-I769 HydrophobicContact CB-CD1 3.63Å; L708-I769 HydrophobicContact CD1-CD1 4.47Å; L708-F803 HydrophobicContact CD2-CB 4.35Å; L708-F803 HydrophobicContact CD2-CD1 3.94Å; L708-F803 HydrophobicContact CD2-CG 4.28Å |
| 709 | R | 84.3 | Confident | 87 | Confident | 122 Ų | 122 | 52.6 Ų | 52.6 | 46% | 0.46 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -72.8 | -45.2 | 178.2 | -74.3 | 170.7 | -175.9 | 175 | 3.9 | 111.5 | L705 E706 T707 T768 I769 | L705-R709 VanDerWaalsContact CD2-NH2 3.3Å; L705-R709 VanDerWaalsContact O-CG 3.26Å; L705-R709 WeakPolarHBondContact O-CG 3.38Å; L705-R709 PolarHBondContact O-N 2.71Å; L705-R709 VanDerWaalsContact O-N 3.14Å; E706-R709 PolarHBondContact O-N 3.29Å; E706-R709 VanDerWaalsContact O-N 3.12Å; T707-R709 VanDerWaalsContact C-N 3.32Å; T707-R709 PolarHBondContact O-N 3.15Å; R709-T768 PolarHBondContact NH2-OG1 3.36Å; R709-T768 VanDerWaalsContact NH2-OG1 3.11Å; R709-I769 HydrophobicContact CG-CD1 3.97Å; R709-I769 HydrophobicContact CG-CG1 4.31Å |
| 710 | N | 86.5 | Confident | 87 | Confident | 96 Ų | 96 | 58 Ų | 58 | 51% | 0.513 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -79.8 | -44.2 | -170.8 | -66.3 | -17.8 | 0 | 0 | 0 | 111.7 | E706 T707 R806 | E706-N710 WeakPolarHBondContact CG-ND2 3.43Å; E706-N710 WeakPolarHBondContact O-CB 3.42Å; E706-N710 VanDerWaalsContact O-CG 3.3Å; E706-N710 PolarHBondContact O-N 3.1Å; E706-N710 PolarHBondContact O-ND2 3.04Å; T707-N710 PolarHBondContact O-N 2.86Å; N710-R806 VanDerWaalsContact O-CD 3.24Å; N710-R806 WeakPolarHBondContact O-CD 3.33Å; N710-R806 PolarHBondContact O-NE 2.97Å |
| 711 | D | 86.9 | Confident | 87.3 | Confident | 89 Ų | 89 | 55.8 Ų | 55.8 | 48% | 0.476 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -106.5 | -10.5 | -166.6 | -58.7 | -24 | 0 | 0 | 0 | 113.3 | T707 R806 | T707-D711 HydrophobicContact CG2-CB 4.45Å; T707-D711 WeakPolarHBondContact O-CB 3.33Å; T707-D711 PolarHBondContact O-N 2.89Å; D711-R806 WeakPolarHBondContact O-CB 3.1Å; D711-R806 WeakPolarHBondContact O-CG 3.2Å; D711-R806 PolarHBondContact O-N 3.23Å |
| 712 | Y | 89.2 | Confident | 87.2 | Confident | 19 Ų | 19 | 58.4 Ų | 58.4 | 8% | 0.075 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 151.7 | -176.7 | -66.1 | -108.3 | 0 | 0 | 0 | 112.7 | T707 L708 C786 Y788 F803 L804 P805 R806 | T707-Y712 HydrophobicContact CG2-CD2 4.49Å; T707-Y712 HydrophobicContact CG2-CE2 4.03Å; L708-Y712 HydrophobicContact CD2-CD2 4.28Å; L708-Y712 HydrophobicContact CD2-CG 4.19Å; L708-Y712 WeakPolarHBondContact O-CB 3.32Å; L708-Y712 PolarHBondContact O-N 2.71Å; Y712-C786 WeakPolarHBondContact CE1-O 3.43Å; Y712-Y788 HydrophobicContact CD1-CD2 4.45Å; Y712-Y788 AromaticContact CE1-CD2 3.79Å; Y712-Y788 HydrophobicContact CE1-CD2 3.79Å; Y712-Y788 AromaticContact CE1-CE2 3.63Å; Y712-Y788 HydrophobicContact CE1-CE2 3.63Å; Y712-Y788 AromaticContact CZ-CE2 3.78Å; Y712-F803 HydrophobicContact CD1-CB 4.05Å; Y712-L804 CarbonylContact C-O 3.57Å; Y712-L804 VanDerWaalsContact CA-O 3.28Å; Y712-L804 WeakPolarHBondContact CA-O 3.4Å; Y712-P805 HydrophobicContact CE1-CB 4.38Å; Y712-R806 PolarHBondContact O-NE 2.85Å; Y712-R806 PolarHBondContact O-NH2 2.82Å |
| 713 | Y | 88.9 | Confident | 87.1 | Confident | 100 Ų | 100 | 61.9 Ų | 61.9 | 39% | 0.392 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 155.9 | 164.2 | 71.1 | -85.8 | 0 | 0 | 0 | 109.8 | L804 P805 R806 | Y713-L804 HydrophobicContact CD1-CB 4.21Å; Y713-L804 VanDerWaalsContact CD1-O 3.32Å; Y713-L804 WeakPolarHBondContact CD1-O 3.42Å; Y713-L804 HydrophobicContact CE1-CB 3.62Å; Y713-L804 HydrophobicContact CE2-CB 3.99Å; Y713-L804 HydrophobicContact CE2-CD1 3.83Å; Y713-L804 HydrophobicContact CE2-CG 4.46Å; Y713-L804 VanDerWaalsContact CZ-CB 3.49Å; Y713-L804 PolarHBondContact N-O 3.47Å; Y713-L804 PolarHBondContact O-N 2.83Å; Y713-L804 WeakPolarHBondContact OH-CD1 3.32Å; Y713-P805 WeakPolarHBondContact CE1-O 3.46Å; Y713-R806 HydrophobicContact CD1-CG 4.1Å |
| 714 | V | 88.6 | Confident | 87 | Confident | 46 Ų | 46 | 65.9 Ų | 65.9 | 28% | 0.279 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 131.2 | -177.4 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | E716 I769 L770 K802 F803 | V714-E716 HydrophobicContact CG1-CG 3.68Å; V714-I769 HydrophobicContact CG2-CG2 3.48Å; V714-I769 VanDerWaalsContact CG2-CG2 3.48Å; V714-L770 HydrophobicContact CG1-CD2 3.89Å; V714-K802 CarbonylContact C-O 3.54Å; V714-K802 VanDerWaalsContact CA-O 3.32Å; V714-K802 WeakPolarHBondContact CA-O 3.42Å; V714-F803 HydrophobicContact CG2-CD1 3.57Å; V714-F803 HydrophobicContact CG2-CE1 3.72Å; V714-F803 HydrophobicContact CG2-CG 4.45Å |
| 715 | S | 89 | Confident | 87.1 | Confident | 40 Ų | 40 | 62.9 Ų | 62.9 | 28% | 0.28 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 122.8 | 170.2 | 171.1 | 0 | 0 | 0 | 0 | 108.9 | K802 | S715-K802 PolarHBondContact N-O 3.44Å; S715-K802 WeakPolarHBondContact O-CB 3.36Å; S715-K802 PolarHBondContact O-N 3.09Å; S715-K802 VanDerWaalsContact OG-CE 3.26Å; S715-K802 WeakPolarHBondContact OG-CE 3.29Å; S715-K802 PolarHBondContact OG-NZ 2.94Å |
| 716 | E | 90.2 | Very high | 87.2 | Confident | 67 Ų | 67 | 66.3 Ų | 66.3 | 31% | 0.313 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 142.1 | -176.6 | -53.7 | -165.7 | 99.7 | 0 | 0 | 111.6 | V714 S771 V800 S801 | V714-E716 HydrophobicContact CG1-CG 3.68Å; E716-S771 WeakPolarHBondContact OE2-CB 3.05Å; E716-S771 PolarHBondContact OE2-OG 3.05Å; E716-V800 VanDerWaalsContact CA-O 3.31Å; E716-V800 WeakPolarHBondContact CA-O 3.23Å; E716-S801 PolarHBondContact OE1-OG 3.14Å |
| 717 | H | 91.9 | Very high | 87 | Confident | 32 Ų | 32 | 68.4 Ų | 68.4 | 15% | 0.148 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 153 | 164.2 | 66.7 | -90.7 | 0 | 0 | 0 | 109.9 | V800 D849 | H717-V800 VanDerWaalsContact CE1-CB 3.48Å; H717-V800 WeakPolarHBondContact CE1-CB 3.4Å; H717-V800 VanDerWaalsContact CE1-CG1 3.48Å; H717-V800 WeakPolarHBondContact CE1-CG1 3.1Å; H717-V800 PolarHBondContact N-O 3.29Å; H717-V800 PolarHBondContact O-N 2.86Å; H717-D849 IonicContact CE1-OD2 3.58Å; H717-D849 IonicContact NE2-OD2 2.74Å; H717-D849 PolarHBondContact NE2-OD2 3.05Å |
| 718 | S | 92.4 | Very high | 86.7 | Confident | 78 Ų | 78 | 68.3 Ų | 68.3 | 55% | 0.545 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 149.6 | 176.4 | 64.7 | 0 | 0 | 0 | 0 | 110.1 | V798 | S718-V798 CarbonylContact C-O 3.55Å; S718-V798 WeakPolarHBondContact CA-O 3.33Å |
| 719 | I | 91.2 | Very high | 86.5 | Confident | 4 Ų | 4 | 68.6 Ų | 68.6 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 121.9 | -177.2 | -46.8 | 172 | 0 | 0 | 0 | 108.1 | T797 V798 D849 I853 | I719-T797 CarbonylContact O-C 3.59Å; I719-T797 WeakPolarHBondContact O-CA 3.47Å; I719-V798 PolarHBondContact N-O 3.34Å; I719-V798 PolarHBondContact O-N 3.45Å; I719-D849 HydrophobicContact CD1-CB 3.22Å; I719-I853 HydrophobicContact CB-CD1 4.36Å; I719-I853 HydrophobicContact CD1-CD1 4.32Å; I719-I853 HydrophobicContact CG2-CD1 3.46Å; I719-I853 VanDerWaalsContact CG2-CD1 3.46Å |
| 720 | L | 91.4 | Very high | 85.7 | Confident | 123 Ų | 123 | 66.4 Ų | 66.4 | 64% | 0.644 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85 | 124.1 | 175.9 | -175.8 | 67.3 | 0 | 0 | 0 | 109.3 | D722 Q796 | L720-D722 PolarHBondContact O-N 2.86Å; L720-Q796 HydrophobicContact CD1-CB 4.08Å |
| 721 | L | 90.9 | Very high | 84.6 | Confident | 3 Ų | 3 | 65.6 Ų | 65.6 | 2% | 0.016 | 35% | 0.345 | C | S | . | . | trans | -81.4 | 104.4 | 174.2 | -55.5 | -176.1 | 0 | 0 | 0 | 108.5 | R736 I739 L793 Q796 V798 I853 | L721-R736 HydrophobicContact CD1-CB 3.85Å; L721-R736 HydrophobicContact CD1-CG 3.93Å; L721-I739 HydrophobicContact CD1-CD1 4.46Å; L721-I739 HydrophobicContact CD2-CD1 4.14Å; L721-I739 HydrophobicContact CD2-CG2 3.89Å; L721-L793 HydrophobicContact CD1-CD1 3.98Å; L721-Q796 WeakPolarHBondContact CB-O 3.47Å; L721-Q796 WeakPolarHBondContact CG-O 3.47Å; L721-Q796 PolarHBondContact N-O 3.44Å; L721-V798 HydrophobicContact CD1-CG2 4.04Å; L721-V798 HydrophobicContact CD2-CG2 4.12Å; L721-V798 HydrophobicContact CG-CG2 4.19Å; L721-I853 HydrophobicContact CD2-CD1 3.86Å; L721-I853 HydrophobicContact CD2-CG1 4.31Å | ||
| 722 | D | 85.6 | Confident | 83.4 | Confident | 93 Ų | 93 | 65.1 Ų | 65.1 | 50% | 0.497 | 36% | 0.362 | S | S | . | . | trans | -70.2 | 134.6 | 177.4 | -167.1 | -57.8 | 0 | 0 | 0 | 110.6 | L720 S724 V725 | L720-D722 PolarHBondContact O-N 2.86Å; D722-S724 PolarHBondContact O-N 2.87Å; D722-S724 VanDerWaalsContact O-N 3.13Å; D722-S724 WeakPolarHBondContact OD1-CB 3.4Å; D722-S724 PolarHBondContact OD1-N 3.44Å; D722-S724 PolarHBondContact OD1-OG 3.45Å; D722-V725 WeakPolarHBondContact O-CG2 3.38Å; D722-V725 PolarHBondContact O-N 3.22Å; D722-V725 VanDerWaalsContact O-N 3.14Å | ||
| 723 | E | 85.3 | Confident | 82.6 | Confident | 87 Ų | 87 | 66.3 Ų | 66.3 | 41% | 0.407 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -62.7 | -21.8 | -179.6 | -163 | 68.5 | -165.9 | 0 | 0 | 112.2 | V725 R726 Q796 | E723-V725 PolarHBondContact O-N 3.41Å; E723-R726 WeakPolarHBondContact O-CB 3.46Å; E723-R726 PolarHBondContact O-N 3.2Å; E723-R726 VanDerWaalsContact O-N 3.12Å; E723-R726 WeakPolarHBondContact OE1-CD 3.49Å; E723-R726 IonicContact OE1-CZ 3.51Å; E723-R726 IonicContact OE1-NE 3.93Å; E723-R726 IonicContact OE1-NH1 3.39Å; E723-R726 PolarHBondContact OE1-NH1 2.74Å; E723-Q796 PolarHBondContact OE2-NE2 2.85Å |
| 724 | S | 83.1 | Confident | 82.5 | Confident | 89 Ų | 89 | 63.9 Ų | 63.9 | 62% | 0.622 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -61.8 | -26.9 | 175.3 | 60.9 | 0 | 0 | 0 | 0 | 113.8 | D722 R726 | D722-S724 PolarHBondContact O-N 2.87Å; D722-S724 VanDerWaalsContact O-N 3.13Å; D722-S724 WeakPolarHBondContact OD1-CB 3.4Å; D722-S724 PolarHBondContact OD1-N 3.44Å; D722-S724 PolarHBondContact OD1-OG 3.45Å; S724-R726 VanDerWaalsContact C-N 3.28Å; S724-R726 PolarHBondContact O-N 3.3Å |
| 725 | V | 83.6 | Confident | 82.5 | Confident | 11 Ų | 11 | 62 Ų | 62 | 7% | 0.067 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -79.9 | -11.7 | 177.6 | -58.7 | 0 | 0 | 0 | 0 | 112.7 | D722 E723 E727 S728 W729 F735 I739 I853 M854 | D722-V725 WeakPolarHBondContact O-CG2 3.38Å; D722-V725 PolarHBondContact O-N 3.22Å; D722-V725 VanDerWaalsContact O-N 3.14Å; E723-V725 PolarHBondContact O-N 3.41Å; V725-E727 PolarHBondContact O-N 3.04Å; V725-S728 WeakPolarHBondContact O-CB 3.33Å; V725-S728 PolarHBondContact O-N 2.92Å; V725-S728 PolarHBondContact O-OG 2.99Å; V725-W729 PolarHBondContact O-N 3.39Å; V725-F735 HydrophobicContact CG2-CE2 4.41Å; V725-I739 HydrophobicContact CG2-CD1 4.12Å; V725-I853 HydrophobicContact CG2-CG2 4.34Å; V725-M854 HydrophobicContact CG1-SD 3.99Å |
| 726 | R | 83.2 | Confident | 82.7 | Confident | 111 Ų | 111 | 61.8 Ų | 61.8 | 42% | 0.419 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -54.6 | -48.1 | -174.5 | 174.7 | 168.7 | 179.2 | -176.4 | 0.6 | 113.3 | E723 S724 S728 W729 L730 F735 | E723-R726 WeakPolarHBondContact O-CB 3.46Å; E723-R726 PolarHBondContact O-N 3.2Å; E723-R726 VanDerWaalsContact O-N 3.12Å; E723-R726 WeakPolarHBondContact OE1-CD 3.49Å; E723-R726 IonicContact OE1-CZ 3.51Å; E723-R726 IonicContact OE1-NE 3.93Å; E723-R726 IonicContact OE1-NH1 3.39Å; E723-R726 PolarHBondContact OE1-NH1 2.74Å; S724-R726 VanDerWaalsContact C-N 3.28Å; S724-R726 PolarHBondContact O-N 3.3Å; R726-S728 PolarHBondContact O-N 2.9Å; R726-W729 PolarHBondContact O-N 3.28Å; R726-W729 VanDerWaalsContact O-N 3.12Å; R726-L730 HydrophobicContact CG-CD1 3.4Å; R726-L730 HydrophobicContact CG-CG 3.95Å; R726-L730 WeakPolarHBondContact O-CB 3.47Å; R726-L730 WeakPolarHBondContact O-CG 3.35Å; R726-L730 PolarHBondContact O-N 3.47Å; R726-F735 HydrophobicContact CB-CD1 4.02Å; R726-F735 HydrophobicContact CB-CD2 4.27Å; R726-F735 HydrophobicContact CB-CE1 4.02Å; R726-F735 HydrophobicContact CB-CE2 4.28Å; R726-F735 HydrophobicContact CB-CG 4.14Å; R726-F735 HydrophobicContact CB-CZ 4.15Å; R726-F735 HydrophobicContact CG-CD1 3.6Å; R726-F735 HydrophobicContact CG-CE1 3.88Å; R726-F735 HydrophobicContact CG-CG 4Å |
| 727 | E | 78 | Confident | 82.6 | Confident | 178 Ų | 178 | 59.8 Ų | 59.8 | 83% | 0.832 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.1 | -32.7 | 179 | -69.6 | -167.4 | 164.5 | 0 | 0 | 112.4 | V725 W729 | V725-E727 PolarHBondContact O-N 3.04Å; E727-W729 VanDerWaalsContact C-N 3.31Å |
| 728 | S | 76.6 | Confident | 82.5 | Confident | 43 Ų | 43 | 60.9 Ų | 60.9 | 30% | 0.301 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -70.8 | -30.8 | 178.1 | 80.2 | 0 | 0 | 0 | 0 | 112 | V725 R726 R855 | V725-S728 WeakPolarHBondContact O-CB 3.33Å; V725-S728 PolarHBondContact O-N 2.92Å; V725-S728 PolarHBondContact O-OG 2.99Å; R726-S728 PolarHBondContact O-N 2.9Å; S728-R855 PolarHBondContact O-NH1 2.97Å; S728-R855 PolarHBondContact O-NH2 3.28Å |
| 729 | W | 80.6 | Confident | 82.5 | Confident | 10 Ų | 10 | 57.2 Ų | 57.2 | 4% | 0.038 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -96.3 | -25.2 | -175.6 | -77.8 | 91.5 | 0 | 0 | 0 | 114.8 | V725 R726 E727 T731 F735 D738 I739 E742 I852 I853 R855 | V725-W729 PolarHBondContact O-N 3.39Å; R726-W729 PolarHBondContact O-N 3.28Å; R726-W729 VanDerWaalsContact O-N 3.12Å; E727-W729 VanDerWaalsContact C-N 3.31Å; W729-T731 PolarHBondContact O-N 3.46Å; W729-F735 HydrophobicContact CB-CB 3.85Å; W729-D738 HydrophobicContact CE3-CB 3.96Å; W729-D738 HydrophobicContact CZ3-CB 4.46Å; W729-I739 HydrophobicContact CD2-CD1 4.21Å; W729-I739 HydrophobicContact CD2-CG1 3.48Å; W729-I739 VanDerWaalsContact CD2-CG1 3.48Å; W729-I739 HydrophobicContact CE3-CG1 3.81Å; W729-I739 HydrophobicContact CG-CD1 4.12Å; W729-I739 HydrophobicContact CG-CG1 3.88Å; W729-I739 HydrophobicContact CH2-CG1 4.26Å; W729-I739 HydrophobicContact CZ2-CG1 3.97Å; W729-I739 HydrophobicContact CZ3-CG1 4.19Å; W729-E742 HydrophobicContact CH2-CB 3.88Å; W729-E742 HydrophobicContact CH2-CG 4.06Å; W729-E742 HydrophobicContact CZ3-CB 4.11Å; W729-I852 WeakPolarHBondContact CZ2-O 3.41Å; W729-I853 PolarHBondContact NE1-O 3.27Å; W729-R855 HydrophobicContact CZ2-CG 3.84Å |
| 730 | L | 67.5 | Low | 82.6 | Confident | 75 Ų | 75 | 57.5 Ų | 57.5 | 39% | 0.393 | 33% | 0.332 | S | S | . | . | trans | -59.4 | 115.1 | -177.6 | -90.7 | 159.7 | 0 | 0 | 0 | 113.1 | R726 G733 | R726-L730 HydrophobicContact CG-CD1 3.4Å; R726-L730 HydrophobicContact CG-CG 3.95Å; R726-L730 WeakPolarHBondContact O-CB 3.47Å; R726-L730 WeakPolarHBondContact O-CG 3.35Å; R726-L730 PolarHBondContact O-N 3.47Å; L730-G733 WeakPolarHBondContact CD2-O 3.49Å | ||
| 731 | T | 63.7 | Low | 82.7 | Confident | 79 Ų | 79 | 52 Ų | 52 | 49% | 0.485 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -115.5 | -10 | 172.9 | 56.7 | 0 | 0 | 0 | 0 | 112.7 | W729 D1085 | W729-T731 PolarHBondContact O-N 3.46Å; T731-D1085 WeakPolarHBondContact CB-O 3.48Å; T731-D1085 WeakPolarHBondContact CG2-O 3.28Å |
| 732 | G | 60.3 | Low | 82.8 | Confident | 80 Ų | 80 | 51.9 Ų | 51.9 | 83% | 0.825 | 30% | 0.304 | S | S | * | . | S | Bend | trans | 144.2 | 7.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 733 | G | 73.3 | Confident | 83.2 | Confident | 44 Ų | 44 | 47.5 Ų | 47.5 | 45% | 0.454 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -147.9 | -154.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L730 F735 | L730-G733 WeakPolarHBondContact CD2-O 3.49Å; G733-F735 PolarHBondContact O-N 3.36Å |
| 734 | D | 86.5 | Confident | 83.7 | Confident | 48 Ų | 48 | 43.5 Ų | 43.5 | 26% | 0.257 | 26% | 0.262 | S | S | . | . | trans | -75.5 | 105.3 | 176.8 | -177.4 | 4 | 0 | 0 | 0 | 110.5 | R736 A737 D738 | D734-R736 PolarHBondContact O-N 3.02Å; D734-R736 VanDerWaalsContact O-N 3.1Å; D734-R736 WeakPolarHBondContact OD1-CB 3.42Å; D734-R736 WeakPolarHBondContact OD1-CG 3.28Å; D734-R736 IonicContact OD1-CZ 3.85Å; D734-R736 PolarHBondContact OD1-N 3.1Å; D734-R736 IonicContact OD1-NE 3.03Å; D734-R736 PolarHBondContact OD1-NE 3.12Å; D734-R736 IonicContact OD1-NH2 2.99Å; D734-R736 IonicContact OD2-CZ 3.26Å; D734-R736 IonicContact OD2-NE 2.86Å; D734-R736 PolarHBondContact OD2-NE 3.47Å; D734-R736 IonicContact OD2-NH2 2.77Å; D734-R736 PolarHBondContact OD2-NH2 3.29Å; D734-A737 HydrophobicContact CB-CB 4.09Å; D734-A737 WeakPolarHBondContact O-CB 3.41Å; D734-A737 PolarHBondContact O-N 3.24Å; D734-D738 PolarHBondContact O-N 2.97Å | ||
| 735 | F | 88.4 | Confident | 84.2 | Confident | 7 Ų | 7 | 39.3 Ų | 39.3 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.6 | -27 | -179.6 | 79.5 | -84.6 | 0 | 0 | 0 | 112.9 | V725 R726 W729 G733 D738 I739 | V725-F735 HydrophobicContact CG2-CE2 4.41Å; R726-F735 HydrophobicContact CB-CD1 4.02Å; R726-F735 HydrophobicContact CB-CD2 4.27Å; R726-F735 HydrophobicContact CB-CE1 4.02Å; R726-F735 HydrophobicContact CB-CE2 4.28Å; R726-F735 HydrophobicContact CB-CG 4.14Å; R726-F735 HydrophobicContact CB-CZ 4.15Å; R726-F735 HydrophobicContact CG-CD1 3.6Å; R726-F735 HydrophobicContact CG-CE1 3.88Å; R726-F735 HydrophobicContact CG-CG 4Å; W729-F735 HydrophobicContact CB-CB 3.85Å; G733-F735 PolarHBondContact O-N 3.36Å; F735-D738 PolarHBondContact O-N 2.79Å; F735-I739 HydrophobicContact CD2-CD1 3.88Å; F735-I739 HydrophobicContact CE2-CD1 4.26Å; F735-I739 WeakPolarHBondContact O-CG1 3.32Å; F735-I739 PolarHBondContact O-N 3.13Å |
| 736 | R | 92.2 | Very high | 84.6 | Confident | 36 Ų | 36 | 38.8 Ų | 38.8 | 14% | 0.136 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69 | -37.7 | 177.5 | -52.4 | 172.1 | -62.1 | 146.1 | 5 | 110.8 | L721 D734 D738 I739 F740 E777 L793 G795 | L721-R736 HydrophobicContact CD1-CB 3.85Å; L721-R736 HydrophobicContact CD1-CG 3.93Å; D734-R736 PolarHBondContact O-N 3.02Å; D734-R736 VanDerWaalsContact O-N 3.1Å; D734-R736 WeakPolarHBondContact OD1-CB 3.42Å; D734-R736 WeakPolarHBondContact OD1-CG 3.28Å; D734-R736 IonicContact OD1-CZ 3.85Å; D734-R736 PolarHBondContact OD1-N 3.1Å; D734-R736 IonicContact OD1-NE 3.03Å; D734-R736 PolarHBondContact OD1-NE 3.12Å; D734-R736 IonicContact OD1-NH2 2.99Å; D734-R736 IonicContact OD2-CZ 3.26Å; D734-R736 IonicContact OD2-NE 2.86Å; D734-R736 PolarHBondContact OD2-NE 3.47Å; D734-R736 IonicContact OD2-NH2 2.77Å; D734-R736 PolarHBondContact OD2-NH2 3.29Å; R736-D738 VanDerWaalsContact C-N 3.34Å; R736-I739 PolarHBondContact O-N 2.89Å; R736-F740 VanDerWaalsContact O-CB 3.27Å; R736-F740 WeakPolarHBondContact O-CB 3.4Å; R736-F740 PolarHBondContact O-N 3.05Å; R736-E777 IonicContact CZ-OE2 3.02Å; R736-E777 VanDerWaalsContact CZ-OE2 3.26Å; R736-E777 VanDerWaalsContact NH1-CD 3.29Å; R736-E777 IonicContact NH1-OE1 2.96Å; R736-E777 PolarHBondContact NH1-OE1 2.83Å; R736-E777 IonicContact NH1-OE2 3.7Å; R736-E777 PolarHBondContact NH1-OE2 3.08Å; R736-E777 IonicContact NH2-OE2 2.81Å; R736-E777 PolarHBondContact NH2-OE2 3.21Å; R736-L793 HydrophobicContact CB-CD2 3.63Å; R736-G795 PolarHBondContact NH1-O 2.98Å |
| 737 | A | 89.8 | Confident | 85 | Confident | 24 Ų | 24 | 33.5 Ų | 33.5 | 20% | 0.198 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.2 | -36.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D734 F740 G741 Y778 | D734-A737 HydrophobicContact CB-CB 4.09Å; D734-A737 WeakPolarHBondContact O-CB 3.41Å; D734-A737 PolarHBondContact O-N 3.24Å; A737-F740 PolarHBondContact O-N 3.31Å; A737-G741 PolarHBondContact O-N 2.96Å; A737-Y778 HydrophobicContact CB-CE1 4.05Å; A737-Y778 HydrophobicContact CB-CE2 4.01Å |
| 738 | D | 89.5 | Confident | 85.7 | Confident | 56 Ų | 56 | 25.1 Ų | 25.1 | 30% | 0.299 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.5 | -45.2 | 175 | -67.7 | -27.1 | 0 | 0 | 0 | 111.6 | W729 D734 F735 R736 G741 E742 | W729-D738 HydrophobicContact CE3-CB 3.96Å; W729-D738 HydrophobicContact CZ3-CB 4.46Å; D734-D738 PolarHBondContact O-N 2.97Å; F735-D738 PolarHBondContact O-N 2.79Å; R736-D738 VanDerWaalsContact C-N 3.34Å; D738-G741 PolarHBondContact O-N 2.92Å; D738-E742 PolarHBondContact O-N 3.24Å |
| 739 | I | 91.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.8 | -50.6 | 173.6 | -71 | 170.4 | 0 | 0 | 0 | 110.1 | L721 V725 W729 F735 R736 G741 E742 L743 I853 | L721-I739 HydrophobicContact CD1-CD1 4.46Å; L721-I739 HydrophobicContact CD2-CD1 4.14Å; L721-I739 HydrophobicContact CD2-CG2 3.89Å; V725-I739 HydrophobicContact CG2-CD1 4.12Å; W729-I739 HydrophobicContact CD2-CD1 4.21Å; W729-I739 HydrophobicContact CD2-CG1 3.48Å; W729-I739 VanDerWaalsContact CD2-CG1 3.48Å; W729-I739 HydrophobicContact CE3-CG1 3.81Å; W729-I739 HydrophobicContact CG-CD1 4.12Å; W729-I739 HydrophobicContact CG-CG1 3.88Å; W729-I739 HydrophobicContact CH2-CG1 4.26Å; W729-I739 HydrophobicContact CZ2-CG1 3.97Å; W729-I739 HydrophobicContact CZ3-CG1 4.19Å; F735-I739 HydrophobicContact CD2-CD1 3.88Å; F735-I739 HydrophobicContact CE2-CD1 4.26Å; F735-I739 WeakPolarHBondContact O-CG1 3.32Å; F735-I739 PolarHBondContact O-N 3.13Å; R736-I739 PolarHBondContact O-N 2.89Å; I739-G741 VanDerWaalsContact C-N 3.3Å; I739-G741 PolarHBondContact O-N 2.83Å; I739-E742 PolarHBondContact O-N 2.93Å; I739-L743 HydrophobicContact CG2-CD1 4.44Å; I739-L743 HydrophobicContact CG2-CG 4.47Å; I739-L743 WeakPolarHBondContact O-CG 3.38Å; I739-L743 PolarHBondContact O-N 3.27Å; I739-I853 HydrophobicContact CD1-CG2 4.48Å; I739-I853 HydrophobicContact CG2-CD1 4.36Å; I739-I853 HydrophobicContact CG2-CG1 3.7Å |
| 740 | F | 93.9 | Very high | 86.4 | Confident | 11 Ų | 11 | 25.4 Ų | 25.4 | 5% | 0.048 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.1 | -44.4 | 179.5 | -172.8 | -97.1 | 0 | 0 | 0 | 111.7 | R736 A737 E742 L743 I744 Y778 C780 L791 L793 | R736-F740 VanDerWaalsContact O-CB 3.27Å; R736-F740 WeakPolarHBondContact O-CB 3.4Å; R736-F740 PolarHBondContact O-N 3.05Å; A737-F740 PolarHBondContact O-N 3.31Å; F740-E742 VanDerWaalsContact C-N 3.32Å; F740-E742 PolarHBondContact O-N 2.89Å; F740-L743 PolarHBondContact O-N 3.49Å; F740-I744 HydrophobicContact CD1-CD1 3.83Å; F740-I744 HydrophobicContact CE1-CD1 3.57Å; F740-I744 HydrophobicContact CE1-CG1 4.45Å; F740-I744 HydrophobicContact CZ-CD1 4.39Å; F740-I744 WeakPolarHBondContact O-CG1 3.48Å; F740-I744 PolarHBondContact O-N 3.3Å; F740-Y778 HydrophobicContact CD1-CG 4.44Å; F740-C780 HydrophobicContact CE1-CB 4.21Å; F740-C780 HydrophobicContact CZ-CB 4.14Å; F740-L791 HydrophobicContact CE2-CB 3.66Å; F740-L791 HydrophobicContact CZ-CB 3.93Å; F740-L793 HydrophobicContact CB-CD2 4.32Å; F740-L793 HydrophobicContact CD2-CB 3.8Å; F740-L793 HydrophobicContact CE2-CB 4.09Å |
| 741 | G | 92.8 | Very high | 87.3 | Confident | 7 Ų | 7 | 22.5 Ų | 22.5 | 7% | 0.072 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.6 | -36.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A737 D738 I739 C745 | A737-G741 PolarHBondContact O-N 2.96Å; D738-G741 PolarHBondContact O-N 2.92Å; I739-G741 VanDerWaalsContact C-N 3.3Å; I739-G741 PolarHBondContact O-N 2.83Å; G741-C745 PolarHBondContact O-N 2.97Å; G741-C745 PolarHBondContact O-SG 3.42Å |
| 742 | E | 92.7 | Very high | 88.7 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -69.6 | -40.5 | 175.6 | -166.9 | 59.8 | -141 | 0 | 0 | 112 | R121 W729 D738 I739 F740 I744 C745 Q746 I852 R1086 V1112 | R121-E742 IonicContact CZ-OE2 3.37Å; R121-E742 IonicContact NH2-OE2 2.84Å; R121-E742 PolarHBondContact NH2-OE2 3.26Å; W729-E742 HydrophobicContact CH2-CB 3.88Å; W729-E742 HydrophobicContact CH2-CG 4.06Å; W729-E742 HydrophobicContact CZ3-CB 4.11Å; D738-E742 PolarHBondContact O-N 3.24Å; I739-E742 PolarHBondContact O-N 2.93Å; F740-E742 VanDerWaalsContact C-N 3.32Å; F740-E742 PolarHBondContact O-N 2.89Å; E742-I744 VanDerWaalsContact C-N 3.26Å; E742-I744 PolarHBondContact O-N 2.85Å; E742-C745 WeakPolarHBondContact O-CA 3.22Å; E742-C745 WeakPolarHBondContact O-CB 3.49Å; E742-C745 PolarHBondContact O-N 3.28Å; E742-Q746 HydrophobicContact CG-CG 4.36Å; E742-Q746 VanDerWaalsContact O-CG 3.27Å; E742-Q746 WeakPolarHBondContact O-CG 3.35Å; E742-Q746 PolarHBondContact O-N 3.35Å; E742-Q746 PolarHBondContact OE1-NE2 3.48Å; E742-I852 HydrophobicContact CB-CG2 4.24Å; E742-I852 HydrophobicContact CG-CG2 3.63Å; E742-R1086 VanDerWaalsContact CD-NH1 3.26Å; E742-R1086 IonicContact OE1-NH1 3.91Å; E742-R1086 PolarHBondContact OE1-NH1 2.84Å; E742-R1086 IonicContact OE2-CZ 2.7Å; E742-R1086 IonicContact OE2-NH1 3.94Å; E742-R1086 PolarHBondContact OE2-NH1 2.64Å; E742-V1112 HydrophobicContact CG-CG1 4.26Å; E742-V1112 HydrophobicContact CG-CG2 4.24Å; E742-V1112 WeakPolarHBondContact OE1-CG1 3.49Å |
| 743 | L | 94.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.1 | -38.9 | 176.3 | -63.6 | -178.3 | 0 | 0 | 0 | 111.9 | I739 F740 R747 L791 V798 D849 I852 | I739-L743 HydrophobicContact CG2-CD1 4.44Å; I739-L743 HydrophobicContact CG2-CG 4.47Å; I739-L743 WeakPolarHBondContact O-CG 3.38Å; I739-L743 PolarHBondContact O-N 3.27Å; F740-L743 PolarHBondContact O-N 3.49Å; L743-R747 WeakPolarHBondContact O-CD 3.41Å; L743-R747 PolarHBondContact O-N 2.95Å; L743-R747 PolarHBondContact O-NH1 3.28Å; L743-L791 HydrophobicContact CB-CD2 3.67Å; L743-V798 HydrophobicContact CD1-CG1 3.91Å; L743-V798 HydrophobicContact CD1-CG2 4.42Å; L743-D849 HydrophobicContact CD2-CB 3.97Å; L743-I852 HydrophobicContact CD2-CB 4.28Å; L743-I852 HydrophobicContact CD2-CD1 4.13Å; L743-I852 HydrophobicContact CD2-CG2 4.11Å |
| 744 | I | 95.7 | Very high | 91.3 | Very high | 4 Ų | 4 | 14.2 Ų | 14.2 | 2% | 0.021 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.6 | -49.8 | 171.6 | -66.6 | 169.4 | 0 | 0 | 0 | 110.3 | Y120 F740 E742 Q746 R747 L748 I754 C780 L782 L791 | Y120-I744 HydrophobicContact CE1-CG2 4.28Å; F740-I744 HydrophobicContact CD1-CD1 3.83Å; F740-I744 HydrophobicContact CE1-CD1 3.57Å; F740-I744 HydrophobicContact CE1-CG1 4.45Å; F740-I744 HydrophobicContact CZ-CD1 4.39Å; F740-I744 WeakPolarHBondContact O-CG1 3.48Å; F740-I744 PolarHBondContact O-N 3.3Å; E742-I744 VanDerWaalsContact C-N 3.26Å; E742-I744 PolarHBondContact O-N 2.85Å; I744-Q746 PolarHBondContact O-N 2.64Å; I744-R747 PolarHBondContact O-N 3.19Å; I744-R747 VanDerWaalsContact O-N 3.08Å; I744-L748 HydrophobicContact CG2-CD1 4.09Å; I744-L748 HydrophobicContact CG2-CG 4.29Å; I744-L748 WeakPolarHBondContact O-CG 3.14Å; I744-L748 PolarHBondContact O-N 2.71Å; I744-I754 HydrophobicContact CG2-CD1 4.2Å; I744-I754 HydrophobicContact CG2-CG1 4.44Å; I744-C780 HydrophobicContact CD1-CB 3.64Å; I744-C780 HydrophobicContact CG1-CB 4.06Å; I744-L782 HydrophobicContact CG2-CD2 4.28Å; I744-L791 HydrophobicContact CG1-CD2 4.29Å |
| 745 | C | 94 | Very high | 91.6 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.007 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -54.8 | -39.4 | 179.5 | -73.4 | 0 | 0 | 0 | 0 | 112.5 | S117 G741 E742 R747 L748 Q749 | S117-C745 VanDerWaalsContact CB-CB 3.48Å; G741-C745 PolarHBondContact O-N 2.97Å; G741-C745 PolarHBondContact O-SG 3.42Å; E742-C745 WeakPolarHBondContact O-CA 3.22Å; E742-C745 WeakPolarHBondContact O-CB 3.49Å; E742-C745 PolarHBondContact O-N 3.28Å; C745-R747 VanDerWaalsContact C-N 3.3Å; C745-R747 PolarHBondContact O-N 2.97Å; C745-L748 PolarHBondContact O-N 3.03Å; C745-Q749 WeakPolarHBondContact O-CG 3.34Å; C745-Q749 PolarHBondContact O-N 3Å |
| 746 | Q | 90.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -71.6 | -25.1 | -178 | -67.6 | -62.9 | -38.5 | 0 | 0 | 113.6 | E742 I744 R750 I852 V1111 | E742-Q746 HydrophobicContact CG-CG 4.36Å; E742-Q746 VanDerWaalsContact O-CG 3.27Å; E742-Q746 WeakPolarHBondContact O-CG 3.35Å; E742-Q746 PolarHBondContact O-N 3.35Å; E742-Q746 PolarHBondContact OE1-NE2 3.48Å; I744-Q746 PolarHBondContact O-N 2.64Å; Q746-R750 PolarHBondContact O-NH1 2.81Å; Q746-I852 HydrophobicContact CB-CD1 3.73Å; Q746-I852 HydrophobicContact CG-CD1 3.48Å; Q746-I852 VanDerWaalsContact CG-CD1 3.48Å; Q746-I852 HydrophobicContact CG-CG1 4.02Å; Q746-V1111 PolarHBondContact NE2-O 3.18Å; Q746-V1111 VanDerWaalsContact NE2-O 3.14Å |
| 747 | R | 92.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -79 | -45 | 171.4 | -70.5 | 151.7 | 175.9 | 76.9 | -0.9 | 110.8 | L743 I744 C745 Q749 R750 G751 F752 L782 W845 D849 | L743-R747 WeakPolarHBondContact O-CD 3.41Å; L743-R747 PolarHBondContact O-N 2.95Å; L743-R747 PolarHBondContact O-NH1 3.28Å; I744-R747 PolarHBondContact O-N 3.19Å; I744-R747 VanDerWaalsContact O-N 3.08Å; C745-R747 VanDerWaalsContact C-N 3.3Å; C745-R747 PolarHBondContact O-N 2.97Å; R747-Q749 VanDerWaalsContact C-N 3.27Å; R747-Q749 PolarHBondContact O-N 3.24Å; R747-R750 WeakPolarHBondContact O-CA 3.45Å; R747-R750 PolarHBondContact O-N 2.97Å; R747-G751 PolarHBondContact O-N 2.82Å; R747-F752 HydrophobicContact CB-CB 4.07Å; R747-F752 HydrophobicContact CB-CD2 4.11Å; R747-F752 HydrophobicContact CB-CG 4.07Å; R747-F752 WeakPolarHBondContact O-CB 3.38Å; R747-F752 PolarHBondContact O-N 3.41Å; R747-L782 HydrophobicContact CB-CD2 3.96Å; R747-W845 HydrophobicContact CB-CH2 4.33Å; R747-W845 HydrophobicContact CG-CE3 4.3Å; R747-W845 HydrophobicContact CG-CH2 3.56Å; R747-W845 HydrophobicContact CG-CZ3 3.43Å; R747-W845 VanDerWaalsContact CG-CZ3 3.43Å; R747-D849 IonicContact CZ-OD1 2.85Å; R747-D849 VanDerWaalsContact CZ-OD1 3.29Å; R747-D849 IonicContact CZ-OD2 2.93Å; R747-D849 IonicContact NH1-OD1 3.61Å; R747-D849 PolarHBondContact NH1-OD1 3.01Å; R747-D849 VanDerWaalsContact NH2-CG 3.27Å; R747-D849 IonicContact NH2-OD1 2.71Å; R747-D849 PolarHBondContact NH2-OD1 3.17Å; R747-D849 IonicContact NH2-OD2 3.57Å; R747-D849 PolarHBondContact NH2-OD2 2.89Å |
| 748 | L | 92.9 | Very high | 90 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -56.7 | -40.3 | 174.7 | -69.7 | 178 | 0 | 0 | 0 | 112.6 | S116 Y120 I744 C745 R750 G751 F752 I754 L782 | S116-L748 VanDerWaalsContact CB-O 3.29Å; S116-L748 WeakPolarHBondContact CB-O 3.13Å; Y120-L748 VanDerWaalsContact CB-CD1 3.46Å; Y120-L748 HydrophobicContact CD1-CD1 4.2Å; Y120-L748 HydrophobicContact CD2-CD1 4.17Å; Y120-L748 HydrophobicContact CG-CD1 3.7Å; I744-L748 HydrophobicContact CG2-CD1 4.09Å; I744-L748 HydrophobicContact CG2-CG 4.29Å; I744-L748 WeakPolarHBondContact O-CG 3.14Å; I744-L748 PolarHBondContact O-N 2.71Å; C745-L748 PolarHBondContact O-N 3.03Å; L748-R750 PolarHBondContact O-N 3.47Å; L748-G751 PolarHBondContact O-N 3.22Å; L748-F752 WeakPolarHBondContact CD2-O 3.44Å; L748-I754 HydrophobicContact CD1-CD1 4.26Å; L748-I754 HydrophobicContact CD2-CD1 4.35Å; L748-I754 HydrophobicContact CD2-CG1 4.06Å; L748-L782 HydrophobicContact CD2-CD2 4.19Å; L748-L782 HydrophobicContact CG-CD2 4.4Å |
| 749 | Q | 86.2 | Confident | 89.3 | Confident | 15 Ų | 15 | 20.6 Ų | 20.6 | 7% | 0.07 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -17.3 | 175.9 | -79.2 | -177.5 | -14 | 0 | 0 | 114 | S117 C745 R747 V1111 | S117-Q749 WeakPolarHBondContact OG-CG 3.42Å; S117-Q749 PolarHBondContact OG-NE2 3.48Å; C745-Q749 WeakPolarHBondContact O-CG 3.34Å; C745-Q749 PolarHBondContact O-N 3Å; R747-Q749 VanDerWaalsContact C-N 3.27Å; R747-Q749 PolarHBondContact O-N 3.24Å; Q749-V1111 PolarHBondContact OE1-O 2.89Å |
| 750 | R | 85 | Confident | 88.3 | Confident | 45 Ų | 45 | 28 Ų | 28 | 17% | 0.17 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 2.3 | -178.9 | -75.4 | 174.5 | 168.9 | 73.8 | 5.9 | 114 | Q746 R747 L748 E784 D868 | Q746-R750 PolarHBondContact O-NH1 2.81Å; R747-R750 WeakPolarHBondContact O-CA 3.45Å; R747-R750 PolarHBondContact O-N 2.97Å; L748-R750 PolarHBondContact O-N 3.47Å; R750-E784 VanDerWaalsContact O-OE1 3.07Å; R750-D868 PolarHBondContact NH2-O 2.81Å |
| 751 | G | 87 | Confident | 87.2 | Confident | 13 Ų | 13 | 30.6 Ų | 30.6 | 13% | 0.134 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 114.8 | -11.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115 | R605 R747 L748 | R605-G751 PolarHBondContact NH2-O 3.4Å; R747-G751 PolarHBondContact O-N 2.82Å; L748-G751 PolarHBondContact O-N 3.22Å |
| 752 | F | 92.4 | Very high | 86.3 | Confident | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | trans | -62.5 | 146.9 | 176 | -76.9 | -99.9 | 0 | 0 | 0 | 112.2 | R747 L748 L782 G783 E784 T787 H789 W845 | R747-F752 HydrophobicContact CB-CB 4.07Å; R747-F752 HydrophobicContact CB-CD2 4.11Å; R747-F752 HydrophobicContact CB-CG 4.07Å; R747-F752 WeakPolarHBondContact O-CB 3.38Å; R747-F752 PolarHBondContact O-N 3.41Å; L748-F752 WeakPolarHBondContact CD2-O 3.44Å; F752-L782 HydrophobicContact CB-CB 4.1Å; F752-L782 HydrophobicContact CB-CD2 3.99Å; F752-L782 HydrophobicContact CD1-CB 3.7Å; F752-L782 HydrophobicContact CG-CB 4.3Å; F752-G783 WeakPolarHBondContact CA-O 3.32Å; F752-E784 HydrophobicContact CD1-CB 3.86Å; F752-E784 HydrophobicContact CD2-CB 3.93Å; F752-E784 WeakPolarHBondContact CD2-OE2 3.45Å; F752-E784 HydrophobicContact CE1-CB 3.94Å; F752-E784 HydrophobicContact CE2-CB 3.99Å; F752-E784 WeakPolarHBondContact CE2-OE2 3.15Å; F752-E784 HydrophobicContact CG-CB 3.86Å; F752-E784 HydrophobicContact CZ-CB 4Å; F752-T787 HydrophobicContact CE1-CG2 4.35Å; F752-T787 HydrophobicContact CZ-CG2 4.06Å; F752-H789 HydrophobicContact CE1-CB 4.22Å; F752-H789 AromaticContact CE1-CE1 3.9Å; F752-H789 AromaticContact CE1-CG 3.74Å; F752-H789 AromaticContact CE1-ND1 3.57Å; F752-H789 AromaticContact CZ-CE1 3.36Å; F752-H789 WeakPolarHBondContact CZ-CE1 3.44Å; F752-H789 AromaticContact CZ-ND1 3.46Å; F752-H789 WeakPolarHBondContact CZ-ND1 3.38Å; F752-H789 AromaticContact CZ-NE2 3.89Å; F752-W845 HydrophobicContact CE2-CH2 4.27Å; F752-W845 AromaticContact CE2-CZ2 3.84Å; F752-W845 HydrophobicContact CE2-CZ2 3.84Å; F752-W845 HydrophobicContact CZ-CZ2 4.43Å | ||
| 753 | Q | 93.8 | Very high | 85.3 | Confident | 3 Ų | 3 | 34.8 Ų | 34.8 | 1% | 0.014 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 140 | 174.1 | -56.1 | 177.8 | -98.8 | 0 | 0 | 108.8 | R605 L695 P696 T698 T699 I755 L782 G783 | R605-Q753 PolarHBondContact O-NE2 3.26Å; L695-Q753 HydrophobicContact CD2-CG 4.31Å; P696-Q753 VanDerWaalsContact O-CG 3.29Å; P696-Q753 WeakPolarHBondContact O-CG 3.3Å; P696-Q753 PolarHBondContact O-NE2 3.45Å; T698-Q753 PolarHBondContact O-NE2 3.14Å; T698-Q753 VanDerWaalsContact O-NE2 3.1Å; T699-Q753 HydrophobicContact CG2-CB 3.94Å; Q753-I755 PolarHBondContact O-N 3.11Å; Q753-L782 CarbonylContact O-C 3.59Å; Q753-L782 VanDerWaalsContact O-CA 3.23Å; Q753-L782 WeakPolarHBondContact O-CA 3.46Å; Q753-G783 PolarHBondContact N-O 3.02Å; Q753-G783 PolarHBondContact O-N 3.1Å |
| 754 | I | 94.5 | Very high | 84 | Confident | 20 Ų | 20 | 36.8 Ų | 36.8 | 10% | 0.103 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 128.3 | 176.8 | -66.9 | 162.5 | 0 | 0 | 0 | 109 | Y120 I697 T698 T699 I744 L748 Q756 L782 | Y120-I754 HydrophobicContact CD2-CD1 3.58Å; Y120-I754 HydrophobicContact CE2-CD1 3.44Å; Y120-I754 VanDerWaalsContact CE2-CD1 3.44Å; I697-I754 PolarHBondContact O-N 2.81Å; T698-I754 CarbonylContact C-O 3.55Å; T698-I754 WeakPolarHBondContact CA-O 3.49Å; T698-I754 HydrophobicContact CG2-CB 4.29Å; T699-I754 PolarHBondContact N-O 3.01Å; I744-I754 HydrophobicContact CG2-CD1 4.2Å; I744-I754 HydrophobicContact CG2-CG1 4.44Å; L748-I754 HydrophobicContact CD1-CD1 4.26Å; L748-I754 HydrophobicContact CD2-CD1 4.35Å; L748-I754 HydrophobicContact CD2-CG1 4.06Å; I754-Q756 HydrophobicContact CG2-CG 4.34Å; I754-Q756 PolarHBondContact O-N 2.95Å; I754-L782 HydrophobicContact CG1-CD2 4.16Å; I754-L782 HydrophobicContact CG1-CG 4.41Å |
| 755 | I | 92.5 | Very high | 82.3 | Confident | 11 Ų | 11 | 36.6 Ų | 36.6 | 6% | 0.056 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 119.8 | -179.5 | -64.3 | 161.5 | 0 | 0 | 0 | 109.1 | T699 F702 Q753 T757 L762 F781 L782 Y788 | T699-I755 HydrophobicContact CG2-CG1 3.84Å; T699-I755 CarbonylContact O-C 3.59Å; T699-I755 WeakPolarHBondContact O-CA 2.97Å; F702-I755 HydrophobicContact CB-CG2 4Å; F702-I755 HydrophobicContact CD2-CD1 3.67Å; F702-I755 HydrophobicContact CE2-CD1 4.3Å; Q753-I755 PolarHBondContact O-N 3.11Å; I755-T757 HydrophobicContact CG2-CG2 3.83Å; I755-L762 HydrophobicContact CG2-CD2 4.17Å; I755-F781 HydrophobicContact CB-CB 3.99Å; I755-F781 HydrophobicContact CD1-CB 4.01Å; I755-F781 PolarHBondContact N-O 2.91Å; I755-L782 VanDerWaalsContact CD1-C 3.47Å; I755-Y788 HydrophobicContact CD1-CD1 3.9Å |
| 756 | Q | 85.1 | Confident | 80.9 | Confident | 68 Ų | 68 | 37.5 Ų | 37.5 | 32% | 0.318 | 20% | 0.196 | S | C | . | . | trans | -117.7 | 87.1 | 176.1 | -65.2 | -171.6 | -45.8 | 0 | 0 | 108.5 | T698 T699 D700 I754 | T698-Q756 VanDerWaalsContact CG2-CD 3.49Å; T698-Q756 HydrophobicContact CG2-CG 4.04Å; T698-Q756 VanDerWaalsContact CG2-OE1 3.3Å; T699-Q756 PolarHBondContact O-N 2.7Å; D700-Q756 WeakPolarHBondContact CA-O 3.48Å; I754-Q756 HydrophobicContact CG2-CG 4.34Å; I754-Q756 PolarHBondContact O-N 2.95Å | ||
| 757 | T | 79.3 | Confident | 79.3 | Confident | 48 Ų | 48 | 42.9 Ų | 42.9 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | trans | -135.5 | -176.6 | 179 | -161.4 | 0 | 0 | 0 | 0 | 110.2 | D700 F702 I755 T759 L762 | D700-T757 WeakPolarHBondContact O-CB 3.41Å; D700-T757 PolarHBondContact O-OG1 3.4Å; F702-T757 HydrophobicContact CB-CG2 4.18Å; I755-T757 HydrophobicContact CG2-CG2 3.83Å; T757-T759 PolarHBondContact O-N 2.73Å; T757-L762 HydrophobicContact CG2-CD1 4.05Å; T757-L762 HydrophobicContact CG2-CD2 3.85Å; T757-L762 HydrophobicContact CG2-CG 3.71Å | ||
| 758 | D | 73.2 | Confident | 77.8 | Confident | 90 Ų | 90 | 46.3 Ų | 46.3 | 48% | 0.481 | 25% | 0.251 | S | S | . | . | trans | -57.5 | 130.4 | -179.6 | -160.6 | -33.7 | 0 | 0 | 0 | 111.3 | E760 L761 L762 | D758-E760 PolarHBondContact O-N 3.31Å; D758-E760 PolarHBondContact OD1-N 2.94Å; D758-L761 HydrophobicContact CB-CB 4.29Å; D758-L761 PolarHBondContact O-N 3.17Å; D758-L762 PolarHBondContact O-N 2.84Å | ||
| 759 | T | 73.5 | Confident | 76.5 | Confident | 89 Ų | 89 | 48.5 Ų | 48.5 | 55% | 0.546 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.6 | -35.4 | 178.9 | -57.2 | 0 | 0 | 0 | 0 | 110.5 | T757 L761 L762 H763 | T757-T759 PolarHBondContact O-N 2.73Å; T759-L761 VanDerWaalsContact C-N 3.35Å; T759-L761 PolarHBondContact O-N 3.45Å; T759-L762 PolarHBondContact O-N 2.65Å; T759-H763 WeakPolarHBondContact CG2-CD2 3.43Å; T759-H763 VanDerWaalsContact O-CB 3.29Å; T759-H763 WeakPolarHBondContact O-CB 3.36Å; T759-H763 PolarHBondContact O-CD2 3.42Å; T759-H763 PolarHBondContact O-N 3.07Å |
| 760 | E | 70.8 | Confident | 75.7 | Confident | 154 Ų | 154 | 48.3 Ų | 48.3 | 72% | 0.72 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -62.8 | -42.1 | 177.8 | -66.6 | -170.6 | 174.2 | 0 | 0 | 111.9 | D758 H763 S764 | D758-E760 PolarHBondContact O-N 3.31Å; D758-E760 PolarHBondContact OD1-N 2.94Å; E760-H763 PolarHBondContact O-N 2.93Å; E760-S764 WeakPolarHBondContact O-CB 3.29Å; E760-S764 PolarHBondContact O-N 3.17Å |
| 761 | L | 71.3 | Confident | 74.6 | Confident | 66 Ų | 66 | 49.9 Ų | 49.9 | 35% | 0.346 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.9 | -45.7 | 179.8 | -163.2 | 149 | 0 | 0 | 0 | 110.7 | F702 D758 T759 H763 S764 | F702-L761 HydrophobicContact CB-CD2 4.36Å; F702-L761 HydrophobicContact CD1-CD2 3.82Å; D758-L761 HydrophobicContact CB-CB 4.29Å; D758-L761 PolarHBondContact O-N 3.17Å; T759-L761 VanDerWaalsContact C-N 3.35Å; T759-L761 PolarHBondContact O-N 3.45Å; L761-H763 VanDerWaalsContact C-N 3.32Å; L761-H763 PolarHBondContact O-N 3.03Å; L761-S764 PolarHBondContact O-N 2.91Å; L761-S764 PolarHBondContact O-OG 3.06Å |
| 762 | L | 73.7 | Confident | 73.4 | Confident | 16 Ų | 16 | 51.2 Ų | 51.2 | 8% | 0.084 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.1 | -37.9 | 174.7 | -66.6 | 173.5 | 0 | 0 | 0 | 112.7 | F702 I755 T757 D758 T759 F781 | F702-L762 HydrophobicContact CB-CD2 4.3Å; F702-L762 HydrophobicContact CD1-CD2 3.77Å; F702-L762 HydrophobicContact CD2-CD2 4.4Å; F702-L762 HydrophobicContact CE1-CD2 4.12Å; F702-L762 HydrophobicContact CG-CD2 3.9Å; I755-L762 HydrophobicContact CG2-CD2 4.17Å; T757-L762 HydrophobicContact CG2-CD1 4.05Å; T757-L762 HydrophobicContact CG2-CD2 3.85Å; T757-L762 HydrophobicContact CG2-CG 3.71Å; D758-L762 PolarHBondContact O-N 2.84Å; T759-L762 PolarHBondContact O-N 2.65Å; L762-F781 HydrophobicContact CB-CE2 4.16Å; L762-F781 HydrophobicContact CB-CZ 4.3Å; L762-F781 HydrophobicContact CD1-CD2 4.06Å; L762-F781 HydrophobicContact CD1-CE2 4.42Å; L762-F781 HydrophobicContact CD2-CB 4.27Å; L762-F781 HydrophobicContact CD2-CD1 4.01Å; L762-F781 HydrophobicContact CD2-CD2 4.12Å; L762-F781 HydrophobicContact CD2-CE1 4.34Å; L762-F781 HydrophobicContact CD2-CE2 4.45Å; L762-F781 HydrophobicContact CD2-CG 3.89Å; L762-F781 HydrophobicContact CG-CD2 4.48Å |
| 763 | H | 71.1 | Confident | 72 | Confident | 80 Ų | 80 | 56.3 Ų | 56.3 | 37% | 0.37 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -78.6 | -29.4 | -178.9 | -83.4 | -106.2 | 0 | 0 | 0 | 113.3 | T759 E760 L761 A765 K766 T767 E779 | T759-H763 WeakPolarHBondContact CG2-CD2 3.43Å; T759-H763 VanDerWaalsContact O-CB 3.29Å; T759-H763 WeakPolarHBondContact O-CB 3.36Å; T759-H763 PolarHBondContact O-CD2 3.42Å; T759-H763 PolarHBondContact O-N 3.07Å; E760-H763 PolarHBondContact O-N 2.93Å; L761-H763 VanDerWaalsContact C-N 3.32Å; L761-H763 PolarHBondContact O-N 3.03Å; H763-A765 PolarHBondContact O-N 2.95Å; H763-K766 PolarHBondContact CE1-NZ 3.03Å; H763-K766 PolarHBondContact ND1-NZ 2.9Å; H763-K766 PolarHBondContact NE2-NZ 3.24Å; H763-K766 VanDerWaalsContact NE2-NZ 3.15Å; H763-K766 WeakPolarHBondContact O-CB 3.49Å; H763-K766 PolarHBondContact O-N 2.88Å; H763-T767 PolarHBondContact O-N 3.1Å; H763-E779 IonicContact NE2-OE2 2.88Å |
| 764 | S | 67.7 | Low | 70.9 | Confident | 42 Ų | 42 | 58.1 Ų | 58.1 | 29% | 0.294 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.9 | -35.1 | 174.2 | 76.8 | 0 | 0 | 0 | 0 | 112.3 | E760 L761 T767 T768 | E760-S764 WeakPolarHBondContact O-CB 3.29Å; E760-S764 PolarHBondContact O-N 3.17Å; L761-S764 PolarHBondContact O-N 2.91Å; L761-S764 PolarHBondContact O-OG 3.06Å; S764-T767 PolarHBondContact O-OG1 3.43Å; S764-T768 PolarHBondContact O-OG1 2.66Å |
| 765 | A | 62 | Low | 70.3 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.008 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.5 | -37.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F702 L708 H763 I769 | F702-A765 HydrophobicContact CE1-CB 4.09Å; L708-A765 HydrophobicContact CD1-CB 3.84Å; H763-A765 PolarHBondContact O-N 2.95Å; A765-I769 WeakPolarHBondContact O-CB 3.24Å; A765-I769 PolarHBondContact O-N 3.35Å; A765-I769 VanDerWaalsContact O-N 3.13Å |
| 766 | K | 63.4 | Low | 70 | Confident | 20 Ų | 20 | 65.5 Ų | 65.5 | 9% | 0.087 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.7 | -51.9 | -178.7 | -62.6 | 179 | -179.7 | 170.7 | 0 | 112.5 | H763 T768 L770 E779 | H763-K766 PolarHBondContact CE1-NZ 3.03Å; H763-K766 PolarHBondContact ND1-NZ 2.9Å; H763-K766 PolarHBondContact NE2-NZ 3.24Å; H763-K766 VanDerWaalsContact NE2-NZ 3.15Å; H763-K766 WeakPolarHBondContact O-CB 3.49Å; H763-K766 PolarHBondContact O-N 2.88Å; K766-T768 PolarHBondContact O-N 3.24Å; K766-T768 VanDerWaalsContact O-N 3.12Å; K766-L770 HydrophobicContact CB-CD1 4.46Å; K766-L770 HydrophobicContact CG-CD1 4.11Å; K766-L770 PolarHBondContact O-N 3.4Å; K766-E779 WeakPolarHBondContact CE-OE1 3.42Å; K766-E779 IonicContact NZ-OE1 2.97Å; K766-E779 PolarHBondContact NZ-OE1 3.08Å; K766-E779 IonicContact NZ-OE2 2.71Å; K766-E779 PolarHBondContact NZ-OE2 3Å |
| 767 | T | 58.1 | Low | 70.3 | Confident | 112 Ų | 112 | 67 Ų | 67 | 69% | 0.687 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -65.1 | -19 | -170.9 | 39 | 0 | 0 | 0 | 0 | 113.3 | H763 S764 | H763-T767 PolarHBondContact O-N 3.1Å; S764-T767 PolarHBondContact O-OG1 3.43Å |
| 768 | T | 60.2 | Low | 70.9 | Confident | 73 Ų | 73 | 69 Ų | 69 | 45% | 0.448 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -106.3 | -35.3 | 179.3 | -33.5 | 0 | 0 | 0 | 0 | 114.6 | R709 S764 K766 | R709-T768 PolarHBondContact NH2-OG1 3.36Å; R709-T768 VanDerWaalsContact NH2-OG1 3.11Å; S764-T768 PolarHBondContact O-OG1 2.66Å; K766-T768 PolarHBondContact O-N 3.24Å; K766-T768 VanDerWaalsContact O-N 3.12Å |
| 769 | I | 66.3 | Low | 71.7 | Confident | 46 Ų | 46 | 67.4 Ų | 67.4 | 24% | 0.236 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -108.8 | -30.7 | -165.9 | -51.7 | -178.6 | 0 | 0 | 0 | 112.5 | L705 L708 R709 V714 A765 F803 | L705-I769 HydrophobicContact CD1-CD1 3.82Å; L705-I769 HydrophobicContact CD1-CG1 4.06Å; L708-I769 HydrophobicContact CB-CD1 3.63Å; L708-I769 HydrophobicContact CD1-CD1 4.47Å; R709-I769 HydrophobicContact CG-CD1 3.97Å; R709-I769 HydrophobicContact CG-CG1 4.31Å; V714-I769 HydrophobicContact CG2-CG2 3.48Å; V714-I769 VanDerWaalsContact CG2-CG2 3.48Å; A765-I769 WeakPolarHBondContact O-CB 3.24Å; A765-I769 PolarHBondContact O-N 3.35Å; A765-I769 VanDerWaalsContact O-N 3.13Å; I769-F803 HydrophobicContact CG2-CE1 4.4Å |
| 770 | L | 68.4 | Low | 72.7 | Confident | 12 Ų | 12 | 63.8 Ų | 63.8 | 6% | 0.063 | 35% | 0.351 | C | S | . | . | trans | -96.3 | 142.5 | -170.2 | -62.3 | -179.8 | 0 | 0 | 0 | 112.6 | V714 K766 F803 | V714-L770 HydrophobicContact CG1-CD2 3.89Å; K766-L770 HydrophobicContact CB-CD1 4.46Å; K766-L770 HydrophobicContact CG-CD1 4.11Å; K766-L770 PolarHBondContact O-N 3.4Å; L770-F803 HydrophobicContact CD1-CZ 4.16Å; L770-F803 HydrophobicContact CD2-CE1 4.12Å; L770-F803 HydrophobicContact CD2-CZ 3.75Å; L770-F803 HydrophobicContact CG-CZ 4.2Å | ||
| 771 | S | 62.8 | Low | 73.8 | Confident | 78 Ų | 78 | 57 Ų | 57 | 55% | 0.545 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -74.6 | -25.7 | -179.7 | 63.1 | 0 | 0 | 0 | 0 | 113.8 | E716 | E716-S771 WeakPolarHBondContact OE2-CB 3.05Å; E716-S771 PolarHBondContact OE2-OG 3.05Å |
| 772 | N | 62.2 | Low | 74.9 | Confident | 40 Ų | 40 | 53.8 Ų | 53.8 | 21% | 0.214 | 30% | 0.302 | C | S | . | . | trans | -101.4 | 95 | -171.3 | -60.7 | -53.6 | 0 | 0 | 0 | 111.7 | Y799 | N772-Y799 HydrophobicContact CB-CD1 4.44Å; N772-Y799 VanDerWaalsContact ND2-CD1 3.27Å; N772-Y799 WeakPolarHBondContact ND2-CD1 3.45Å | ||
| 773 | V | 61.7 | Low | 75.8 | Confident | 113 Ų | 113 | 53.3 Ų | 53.3 | 69% | 0.685 | 30% | 0.301 | S | S | * | . | trans | -93.8 | -5 | -168.2 | -170.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 774 | G | 71.2 | Confident | 76.5 | Confident | 41 Ų | 41 | 50 Ų | 50 | 42% | 0.423 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -72.4 | 167.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | P776 M794 | G774-P776 WeakPolarHBondContact O-CD 3.24Å; G774-M794 VanDerWaalsContact O-CE 3.26Å; G774-M794 WeakPolarHBondContact O-CE 3.09Å |
| 775 | I | 81.4 | Confident | 77.1 | Confident | 163 Ų | 163 | 48.9 Ų | 48.9 | 84% | 0.836 | 28% | 0.276 | S | S | * | . | trans | -79.7 | 115.8 | 179.8 | -56.3 | 171 | 0 | 0 | 0 | 109 | ||||
| 776 | P | 86.7 | Confident | 78.2 | Confident | 24 Ų | 24 | 51.6 Ų | 51.6 | 16% | 0.156 | 30% | 0.295 | C | S | . | . | trans | -77.4 | 146 | 179 | 32 | -33.6 | 0 | 0 | 0 | 112.2 | G774 E779 A792 M794 | G774-P776 WeakPolarHBondContact O-CD 3.24Å; P776-E779 HydrophobicContact CB-CB 4.34Å; P776-E779 HydrophobicContact CG-CB 3.85Å; P776-E779 HydrophobicContact CG-CG 4.4Å; P776-A792 HydrophobicContact CB-CB 4.02Å; P776-M794 HydrophobicContact CB-CG 4.11Å | ||
| 777 | E | 90.8 | Very high | 79.3 | Confident | 98 Ų | 98 | 52.5 Ų | 52.5 | 46% | 0.458 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -71.7 | -39 | 172.2 | -68.1 | 173 | -118.7 | 0 | 0 | 110.8 | R736 L793 G795 | R736-E777 IonicContact CZ-OE2 3.02Å; R736-E777 VanDerWaalsContact CZ-OE2 3.26Å; R736-E777 VanDerWaalsContact NH1-CD 3.29Å; R736-E777 IonicContact NH1-OE1 2.96Å; R736-E777 PolarHBondContact NH1-OE1 2.83Å; R736-E777 IonicContact NH1-OE2 3.7Å; R736-E777 PolarHBondContact NH1-OE2 3.08Å; R736-E777 IonicContact NH2-OE2 2.81Å; R736-E777 PolarHBondContact NH2-OE2 3.21Å; E777-L793 PolarHBondContact N-O 3.16Å; E777-G795 WeakPolarHBondContact OE1-CA 3.25Å; E777-G795 PolarHBondContact OE1-N 2.93Å |
| 778 | Y | 91.6 | Very high | 80.9 | Confident | 91 Ų | 91 | 47.3 Ų | 47.3 | 36% | 0.357 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 139.2 | 173.5 | -58.2 | -92.2 | 0 | 0 | 0 | 109.8 | A737 F740 A792 L793 | A737-Y778 HydrophobicContact CB-CE1 4.05Å; A737-Y778 HydrophobicContact CB-CE2 4.01Å; F740-Y778 HydrophobicContact CD1-CG 4.44Å; Y778-A792 CarbonylContact O-C 3.31Å; Y778-A792 WeakPolarHBondContact O-CA 3.23Å; Y778-L793 HydrophobicContact CD2-CB 4.37Å; Y778-L793 HydrophobicContact CD2-CD2 3.6Å; Y778-L793 HydrophobicContact CD2-CG 4.27Å; Y778-L793 HydrophobicContact CE2-CD2 4.17Å; Y778-L793 HydrophobicContact CG-CD2 4.48Å; Y778-L793 PolarHBondContact O-N 2.85Å |
| 779 | E | 91.8 | Very high | 82.5 | Confident | 57 Ų | 57 | 43.9 Ų | 43.9 | 27% | 0.266 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 141.5 | 178.9 | -176.3 | 169.4 | -125 | 0 | 0 | 111.3 | H763 K766 P776 F781 R790 L791 | H763-E779 IonicContact NE2-OE2 2.88Å; K766-E779 WeakPolarHBondContact CE-OE1 3.42Å; K766-E779 IonicContact NZ-OE1 2.97Å; K766-E779 PolarHBondContact NZ-OE1 3.08Å; K766-E779 IonicContact NZ-OE2 2.71Å; K766-E779 PolarHBondContact NZ-OE2 3Å; P776-E779 HydrophobicContact CB-CB 4.34Å; P776-E779 HydrophobicContact CG-CB 3.85Å; P776-E779 HydrophobicContact CG-CG 4.4Å; E779-F781 HydrophobicContact CG-CD2 4.23Å; E779-F781 HydrophobicContact CG-CE2 3.85Å; E779-R790 IonicContact OE1-CZ 3.57Å; E779-R790 IonicContact OE1-NE 3.61Å; E779-R790 PolarHBondContact OE1-NE 2.76Å; E779-R790 IonicContact OE1-NH2 3.69Å; E779-R790 PolarHBondContact OE1-NH2 3.34Å; E779-L791 CarbonylContact C-O 3.56Å; E779-L791 VanDerWaalsContact CA-O 3.3Å; E779-L791 WeakPolarHBondContact CA-O 3.25Å |
| 780 | C | 93.6 | Very high | 83.7 | Confident | 13 Ų | 13 | 41.8 Ų | 41.8 | 9% | 0.088 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 130.6 | 175.4 | -170.2 | 0 | 0 | 0 | 0 | 109.8 | F740 I744 L782 R790 L791 | F740-C780 HydrophobicContact CE1-CB 4.21Å; F740-C780 HydrophobicContact CZ-CB 4.14Å; I744-C780 HydrophobicContact CD1-CB 3.64Å; I744-C780 HydrophobicContact CG1-CB 4.06Å; C780-L782 HydrophobicContact CB-CD1 4.26Å; C780-R790 WeakPolarHBondContact O-CA 3.49Å; C780-L791 PolarHBondContact N-O 3.33Å; C780-L791 PolarHBondContact O-N 2.91Å |
| 781 | F | 93.8 | Very high | 85 | Confident | 10 Ų | 10 | 41.2 Ų | 41.2 | 4% | 0.044 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 136.2 | 167.9 | -71.2 | -98.6 | 0 | 0 | 0 | 108.7 | F702 I755 L762 E779 H789 R790 | F702-F781 HydrophobicContact CE2-CD1 4.37Å; F702-F781 HydrophobicContact CZ-CD1 4.38Å; F702-F781 HydrophobicContact CZ-CE1 4.47Å; I755-F781 HydrophobicContact CB-CB 3.99Å; I755-F781 HydrophobicContact CD1-CB 4.01Å; I755-F781 PolarHBondContact N-O 2.91Å; L762-F781 HydrophobicContact CB-CE2 4.16Å; L762-F781 HydrophobicContact CB-CZ 4.3Å; L762-F781 HydrophobicContact CD1-CD2 4.06Å; L762-F781 HydrophobicContact CD1-CE2 4.42Å; L762-F781 HydrophobicContact CD2-CB 4.27Å; L762-F781 HydrophobicContact CD2-CD1 4.01Å; L762-F781 HydrophobicContact CD2-CD2 4.12Å; L762-F781 HydrophobicContact CD2-CE1 4.34Å; L762-F781 HydrophobicContact CD2-CE2 4.45Å; L762-F781 HydrophobicContact CD2-CG 3.89Å; L762-F781 HydrophobicContact CG-CD2 4.48Å; E779-F781 HydrophobicContact CG-CD2 4.23Å; E779-F781 HydrophobicContact CG-CE2 3.85Å; F781-H789 CarbonylContact C-O 3.58Å; F781-H789 WeakPolarHBondContact CA-O 3.45Å; F781-R790 HydrophobicContact CD1-CB 3.98Å; F781-R790 HydrophobicContact CD1-CG 4.15Å; F781-R790 HydrophobicContact CE1-CB 3.83Å; F781-R790 HydrophobicContact CE1-CG 3.72Å; F781-R790 HydrophobicContact CE2-CG 4.2Å; F781-R790 HydrophobicContact CZ-CB 4.38Å; F781-R790 HydrophobicContact CZ-CG 3.76Å |
| 782 | L | 94.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 144.3 | 176 | -59.5 | 100.2 | 0 | 0 | 0 | 110.1 | I744 R747 L748 F752 Q753 I754 I755 C780 Y788 H789 L791 | I744-L782 HydrophobicContact CG2-CD2 4.28Å; R747-L782 HydrophobicContact CB-CD2 3.96Å; L748-L782 HydrophobicContact CD2-CD2 4.19Å; L748-L782 HydrophobicContact CG-CD2 4.4Å; F752-L782 HydrophobicContact CB-CB 4.1Å; F752-L782 HydrophobicContact CB-CD2 3.99Å; F752-L782 HydrophobicContact CD1-CB 3.7Å; F752-L782 HydrophobicContact CG-CB 4.3Å; Q753-L782 CarbonylContact O-C 3.59Å; Q753-L782 VanDerWaalsContact O-CA 3.23Å; Q753-L782 WeakPolarHBondContact O-CA 3.46Å; I754-L782 HydrophobicContact CG1-CD2 4.16Å; I754-L782 HydrophobicContact CG1-CG 4.41Å; I755-L782 VanDerWaalsContact CD1-C 3.47Å; C780-L782 HydrophobicContact CB-CD1 4.26Å; L782-Y788 CarbonylContact O-C 3.53Å; L782-Y788 VanDerWaalsContact O-CA 3.32Å; L782-Y788 WeakPolarHBondContact O-CA 3.4Å; L782-H789 PolarHBondContact N-O 3.02Å; L782-H789 PolarHBondContact O-N 3.12Å; L782-L791 HydrophobicContact CD1-CD1 3.75Å |
| 783 | G | 91.2 | Very high | 87.9 | Confident | 5 Ų | 5 | 35.6 Ų | 35.6 | 5% | 0.052 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 141.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | F752 Q753 T787 | F752-G783 WeakPolarHBondContact CA-O 3.32Å; Q753-G783 PolarHBondContact N-O 3.02Å; Q753-G783 PolarHBondContact O-N 3.1Å; G783-T787 WeakPolarHBondContact CA-O 3.12Å |
| 784 | E | 87.4 | Confident | 89.4 | Confident | 11 Ų | 11 | 32.1 Ų | 32.1 | 5% | 0.051 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 112.3 | 167 | -175.5 | -177.8 | -162.5 | 0 | 0 | 107.6 | R750 F752 C786 T787 L840 | R750-E784 VanDerWaalsContact O-OE1 3.07Å; F752-E784 HydrophobicContact CD1-CB 3.86Å; F752-E784 HydrophobicContact CD2-CB 3.93Å; F752-E784 WeakPolarHBondContact CD2-OE2 3.45Å; F752-E784 HydrophobicContact CE1-CB 3.94Å; F752-E784 HydrophobicContact CE2-CB 3.99Å; F752-E784 WeakPolarHBondContact CE2-OE2 3.15Å; F752-E784 HydrophobicContact CG-CB 3.86Å; F752-E784 HydrophobicContact CZ-CB 4Å; E784-C786 PolarHBondContact O-N 2.83Å; E784-T787 PolarHBondContact N-O 3Å; E784-T787 PolarHBondContact O-N 3.42Å; E784-L840 WeakPolarHBondContact OE1-CD1 3.27Å |
| 785 | N | 80.6 | Confident | 90.3 | Very high | 19 Ų | 19 | 31.9 Ų | 31.9 | 10% | 0.102 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | -122.9 | -174.3 | -51.3 | -31.3 | 0 | 0 | 0 | 111.2 | I364 D365 A601 R605 Y788 | I364-N785 WeakPolarHBondContact CG2-OD1 3.4Å; D365-N785 VanDerWaalsContact CG-ND2 3.32Å; D365-N785 PolarHBondContact OD1-ND2 2.88Å; A601-N785 WeakPolarHBondContact CB-O 3.32Å; R605-N785 PolarHBondContact NH1-OD1 2.74Å; N785-Y788 PolarHBondContact O-OH 2.99Å |
| 786 | C | 83 | Confident | 90.8 | Very high | 58 Ų | 58 | 27.3 Ų | 27.3 | 39% | 0.392 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 25.5 | 174.9 | -57.8 | 0 | 0 | 0 | 0 | 113.1 | Y712 E784 P805 | Y712-C786 WeakPolarHBondContact CE1-O 3.43Å; E784-C786 PolarHBondContact O-N 2.83Å; C786-P805 HydrophobicContact CB-CB 4.5Å; C786-P805 HydrophobicContact CB-CG 4.38Å; C786-P805 WeakPolarHBondContact O-CD 3.18Å |
| 787 | T | 88.4 | Confident | 91.1 | Very high | 38 Ų | 38 | 27.6 Ų | 27.6 | 23% | 0.233 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 130.4 | 174.5 | -65.3 | 0 | 0 | 0 | 0 | 110.2 | F752 G783 E784 L804 | F752-T787 HydrophobicContact CE1-CG2 4.35Å; F752-T787 HydrophobicContact CZ-CG2 4.06Å; G783-T787 WeakPolarHBondContact CA-O 3.12Å; E784-T787 PolarHBondContact N-O 3Å; E784-T787 PolarHBondContact O-N 3.42Å; T787-L804 HydrophobicContact CG2-CD2 3.74Å |
| 788 | Y | 91.3 | Very high | 91.3 | Very high | 4 Ų | 4 | 22.9 Ų | 22.9 | 2% | 0.016 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 135.2 | -178.7 | -50.3 | -85.2 | 0 | 0 | 0 | 111.3 | A601 F701 F702 P703 Y712 I755 L782 N785 K802 F803 | A601-Y788 WeakPolarHBondContact CB-OH 3.31Å; F701-Y788 WeakPolarHBondContact CE1-OH 3.25Å; F702-Y788 AromaticContact CD2-CD1 3.92Å; F702-Y788 HydrophobicContact CD2-CD1 3.92Å; F702-Y788 HydrophobicContact CD2-CE1 4.33Å; F702-Y788 HydrophobicContact CD2-CG 4.29Å; F702-Y788 HydrophobicContact CE2-CD1 4.08Å; F702-Y788 AromaticContact CE2-CG 4Å; F702-Y788 HydrophobicContact CE2-CG 4Å; P703-Y788 VanDerWaalsContact CD-CZ 3.4Å; P703-Y788 HydrophobicContact CG-CD2 4.06Å; P703-Y788 HydrophobicContact CG-CE1 4.18Å; P703-Y788 HydrophobicContact CG-CE2 3.32Å; P703-Y788 WeakPolarHBondContact CG-OH 3.48Å; Y712-Y788 HydrophobicContact CD1-CD2 4.45Å; Y712-Y788 AromaticContact CE1-CD2 3.79Å; Y712-Y788 HydrophobicContact CE1-CD2 3.79Å; Y712-Y788 AromaticContact CE1-CE2 3.63Å; Y712-Y788 HydrophobicContact CE1-CE2 3.63Å; Y712-Y788 AromaticContact CZ-CE2 3.78Å; I755-Y788 HydrophobicContact CD1-CD1 3.9Å; L782-Y788 CarbonylContact O-C 3.53Å; L782-Y788 VanDerWaalsContact O-CA 3.32Å; L782-Y788 WeakPolarHBondContact O-CA 3.4Å; N785-Y788 PolarHBondContact O-OH 2.99Å; Y788-K802 CarbonylContact O-C 3.59Å; Y788-K802 WeakPolarHBondContact O-CA 3.4Å; Y788-F803 HydrophobicContact CD2-CB 4.36Å; Y788-F803 PolarHBondContact N-O 2.9Å; Y788-F803 VanDerWaalsContact N-O 3.09Å; Y788-F803 PolarHBondContact O-N 2.89Å |
| 789 | H | 93.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 137.8 | 175.3 | -69.2 | 171.8 | 0 | 0 | 0 | 110 | F752 F781 L782 L791 S801 W845 | F752-H789 HydrophobicContact CE1-CB 4.22Å; F752-H789 AromaticContact CE1-CE1 3.9Å; F752-H789 AromaticContact CE1-CG 3.74Å; F752-H789 AromaticContact CE1-ND1 3.57Å; F752-H789 AromaticContact CZ-CE1 3.36Å; F752-H789 WeakPolarHBondContact CZ-CE1 3.44Å; F752-H789 AromaticContact CZ-ND1 3.46Å; F752-H789 WeakPolarHBondContact CZ-ND1 3.38Å; F752-H789 AromaticContact CZ-NE2 3.89Å; F781-H789 CarbonylContact C-O 3.58Å; F781-H789 WeakPolarHBondContact CA-O 3.45Å; L782-H789 PolarHBondContact N-O 3.02Å; L782-H789 PolarHBondContact O-N 3.12Å; H789-L791 HydrophobicContact CB-CD1 4.12Å; H789-S801 CarbonylContact C-O 3.6Å; H789-S801 WeakPolarHBondContact CA-O 3.01Å; H789-W845 AromaticContact CE1-CD1 3.95Å; H789-W845 AromaticContact CE1-CD2 3.93Å; H789-W845 AromaticContact CE1-CE2 3.46Å; H789-W845 VanDerWaalsContact CE1-CE2 3.46Å; H789-W845 AromaticContact CE1-CZ2 3.79Å; H789-W845 AromaticContact CE1-NE1 3.47Å; H789-W845 PolarHBondContact CE1-NE1 3.43Å |
| 790 | R | 92.5 | Very high | 91.5 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 127.7 | 166 | 178.3 | -170 | 172.5 | -116.3 | -1.2 | 108.2 | E779 C780 F781 V800 S801 F803 | E779-R790 IonicContact OE1-CZ 3.57Å; E779-R790 IonicContact OE1-NE 3.61Å; E779-R790 PolarHBondContact OE1-NE 2.76Å; E779-R790 IonicContact OE1-NH2 3.69Å; E779-R790 PolarHBondContact OE1-NH2 3.34Å; C780-R790 WeakPolarHBondContact O-CA 3.49Å; F781-R790 HydrophobicContact CD1-CB 3.98Å; F781-R790 HydrophobicContact CD1-CG 4.15Å; F781-R790 HydrophobicContact CE1-CB 3.83Å; F781-R790 HydrophobicContact CE1-CG 3.72Å; F781-R790 HydrophobicContact CE2-CG 4.2Å; F781-R790 HydrophobicContact CZ-CB 4.38Å; F781-R790 HydrophobicContact CZ-CG 3.76Å; R790-V800 WeakPolarHBondContact O-CA 3.33Å; R790-S801 PolarHBondContact N-O 3.38Å; R790-S801 PolarHBondContact O-N 3.41Å; R790-F803 HydrophobicContact CB-CE2 4.36Å |
| 791 | L | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 130.1 | 169.9 | -69.8 | 67.2 | 0 | 0 | 0 | 107.4 | F740 L743 I744 E779 C780 L782 H789 Y799 V800 | F740-L791 HydrophobicContact CE2-CB 3.66Å; F740-L791 HydrophobicContact CZ-CB 3.93Å; L743-L791 HydrophobicContact CB-CD2 3.67Å; I744-L791 HydrophobicContact CG1-CD2 4.29Å; E779-L791 CarbonylContact C-O 3.56Å; E779-L791 VanDerWaalsContact CA-O 3.3Å; E779-L791 WeakPolarHBondContact CA-O 3.25Å; C780-L791 PolarHBondContact N-O 3.33Å; C780-L791 PolarHBondContact O-N 2.91Å; L782-L791 HydrophobicContact CD1-CD1 3.75Å; H789-L791 HydrophobicContact CB-CD1 4.12Å; L791-Y799 CarbonylContact C-O 3.59Å; L791-Y799 WeakPolarHBondContact CA-O 3.5Å; L791-V800 HydrophobicContact CG-CG2 4.43Å |
| 792 | A | 93 | Very high | 91.3 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 122.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | P776 Y778 Y799 | P776-A792 HydrophobicContact CB-CB 4.02Å; Y778-A792 CarbonylContact O-C 3.31Å; Y778-A792 WeakPolarHBondContact O-CA 3.23Å; A792-Y799 PolarHBondContact N-O 3.19Å; A792-Y799 PolarHBondContact O-N 3.3Å |
| 793 | L | 94 | Very high | 91 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 123.3 | 176.2 | 173.7 | 57.3 | 0 | 0 | 0 | 109.8 | L721 R736 F740 E777 Y778 V798 | L721-L793 HydrophobicContact CD1-CD1 3.98Å; R736-L793 HydrophobicContact CB-CD2 3.63Å; F740-L793 HydrophobicContact CB-CD2 4.32Å; F740-L793 HydrophobicContact CD2-CB 3.8Å; F740-L793 HydrophobicContact CE2-CB 4.09Å; E777-L793 PolarHBondContact N-O 3.16Å; Y778-L793 HydrophobicContact CD2-CB 4.37Å; Y778-L793 HydrophobicContact CD2-CD2 3.6Å; Y778-L793 HydrophobicContact CD2-CG 4.27Å; Y778-L793 HydrophobicContact CE2-CD2 4.17Å; Y778-L793 HydrophobicContact CG-CD2 4.48Å; Y778-L793 PolarHBondContact O-N 2.85Å; L793-V798 HydrophobicContact CD1-CG2 3.9Å |
| 794 | M | 91.9 | Very high | 90.9 | Very high | 40 Ų | 40 | 20.6 Ų | 20.6 | 20% | 0.197 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 111.1 | -179.5 | -46.2 | 178.8 | 74.6 | 0 | 0 | 109.1 | G774 P776 Q796 T797 Y799 | G774-M794 VanDerWaalsContact O-CE 3.26Å; G774-M794 WeakPolarHBondContact O-CE 3.09Å; P776-M794 HydrophobicContact CB-CG 4.11Å; M794-Q796 PolarHBondContact O-N 2.72Å; M794-Q796 VanDerWaalsContact O-N 3.15Å; M794-T797 PolarHBondContact N-O 2.9Å; M794-T797 PolarHBondContact O-N 3.38Å; M794-Y799 HydrophobicContact CB-CD2 4.38Å; M794-Y799 HydrophobicContact CB-CE2 4.06Å; M794-Y799 HydrophobicContact CG-CD2 4.04Å; M794-Y799 HydrophobicContact CG-CE2 4.14Å; M794-Y799 HydrophobicContact SD-CD2 3.86Å; M794-Y799 HydrophobicContact SD-CE2 3.89Å |
| 795 | G | 91 | Very high | 90.8 | Very high | 36 Ų | 36 | 21.1 Ų | 21.1 | 37% | 0.371 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | -117.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111 | R736 E777 | R736-G795 PolarHBondContact NH1-O 2.98Å; E777-G795 WeakPolarHBondContact OE1-CA 3.25Å; E777-G795 PolarHBondContact OE1-N 2.93Å |
| 796 | Q | 91.6 | Very high | 91 | Very high | 67 Ų | 67 | 27 Ų | 27 | 31% | 0.313 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 7.3 | 178.3 | -64.6 | -67.9 | 2.8 | 0 | 0 | 113.2 | L720 L721 E723 M794 | L720-Q796 HydrophobicContact CD1-CB 4.08Å; L721-Q796 WeakPolarHBondContact CB-O 3.47Å; L721-Q796 WeakPolarHBondContact CG-O 3.47Å; L721-Q796 PolarHBondContact N-O 3.44Å; E723-Q796 PolarHBondContact OE2-NE2 2.85Å; M794-Q796 PolarHBondContact O-N 2.72Å; M794-Q796 VanDerWaalsContact O-N 3.15Å |
| 797 | T | 93 | Very high | 90.5 | Very high | 29 Ų | 29 | 32.6 Ų | 32.6 | 18% | 0.178 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 128 | -175.2 | -53.8 | 0 | 0 | 0 | 0 | 110.6 | I719 M794 Y799 | I719-T797 CarbonylContact O-C 3.59Å; I719-T797 WeakPolarHBondContact O-CA 3.47Å; M794-T797 PolarHBondContact N-O 2.9Å; M794-T797 PolarHBondContact O-N 3.38Å; T797-Y799 HydrophobicContact CG2-CD1 4.48Å; T797-Y799 HydrophobicContact CG2-CD2 4.1Å; T797-Y799 HydrophobicContact CG2-CE1 4.09Å; T797-Y799 HydrophobicContact CG2-CE2 3.64Å; T797-Y799 HydrophobicContact CG2-CG 4.5Å |
| 798 | V | 94.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 119.5 | 166.4 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | S718 I719 L721 L743 L793 V800 | S718-V798 CarbonylContact C-O 3.55Å; S718-V798 WeakPolarHBondContact CA-O 3.33Å; I719-V798 PolarHBondContact N-O 3.34Å; I719-V798 PolarHBondContact O-N 3.45Å; L721-V798 HydrophobicContact CD1-CG2 4.04Å; L721-V798 HydrophobicContact CD2-CG2 4.12Å; L721-V798 HydrophobicContact CG-CG2 4.19Å; L743-V798 HydrophobicContact CD1-CG1 3.91Å; L743-V798 HydrophobicContact CD1-CG2 4.42Å; L793-V798 HydrophobicContact CD1-CG2 3.9Å; V798-V800 HydrophobicContact CG1-CG2 4.2Å |
| 799 | Y | 93.5 | Very high | 88.1 | Confident | 57 Ų | 57 | 40.8 Ų | 40.8 | 22% | 0.224 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 130.8 | 172 | -64.3 | -89 | 0 | 0 | 0 | 109.5 | N772 L791 A792 M794 T797 | N772-Y799 HydrophobicContact CB-CD1 4.44Å; N772-Y799 VanDerWaalsContact ND2-CD1 3.27Å; N772-Y799 WeakPolarHBondContact ND2-CD1 3.45Å; L791-Y799 CarbonylContact C-O 3.59Å; L791-Y799 WeakPolarHBondContact CA-O 3.5Å; A792-Y799 PolarHBondContact N-O 3.19Å; A792-Y799 PolarHBondContact O-N 3.3Å; M794-Y799 HydrophobicContact CB-CD2 4.38Å; M794-Y799 HydrophobicContact CB-CE2 4.06Å; M794-Y799 HydrophobicContact CG-CD2 4.04Å; M794-Y799 HydrophobicContact CG-CE2 4.14Å; M794-Y799 HydrophobicContact SD-CD2 3.86Å; M794-Y799 HydrophobicContact SD-CE2 3.89Å; T797-Y799 HydrophobicContact CG2-CD1 4.48Å; T797-Y799 HydrophobicContact CG2-CD2 4.1Å; T797-Y799 HydrophobicContact CG2-CE1 4.09Å; T797-Y799 HydrophobicContact CG2-CE2 3.64Å; T797-Y799 HydrophobicContact CG2-CG 4.5Å |
| 800 | V | 93.7 | Very high | 86.9 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 114.2 | 176.2 | -175.3 | 0 | 0 | 0 | 0 | 108.3 | E716 H717 R790 L791 V798 K802 | E716-V800 VanDerWaalsContact CA-O 3.31Å; E716-V800 WeakPolarHBondContact CA-O 3.23Å; H717-V800 VanDerWaalsContact CE1-CB 3.48Å; H717-V800 WeakPolarHBondContact CE1-CB 3.4Å; H717-V800 VanDerWaalsContact CE1-CG1 3.48Å; H717-V800 WeakPolarHBondContact CE1-CG1 3.1Å; H717-V800 PolarHBondContact N-O 3.29Å; H717-V800 PolarHBondContact O-N 2.86Å; R790-V800 WeakPolarHBondContact O-CA 3.33Å; L791-V800 HydrophobicContact CG-CG2 4.43Å; V798-V800 HydrophobicContact CG1-CG2 4.2Å; V800-K802 HydrophobicContact CG1-CG 4.27Å |
| 801 | S | 92 | Very high | 86.1 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 126.8 | 174.5 | -44.8 | 0 | 0 | 0 | 0 | 108.8 | E716 H789 R790 | E716-S801 PolarHBondContact OE1-OG 3.14Å; H789-S801 CarbonylContact C-O 3.6Å; H789-S801 WeakPolarHBondContact CA-O 3.01Å; R790-S801 PolarHBondContact N-O 3.38Å; R790-S801 PolarHBondContact O-N 3.41Å |
| 802 | K | 91.3 | Very high | 85.1 | Confident | 34 Ų | 34 | 58 Ų | 58 | 15% | 0.148 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 120.6 | -179.1 | -52.4 | 174.1 | -74.8 | 168.8 | 0 | 109.2 | V714 S715 Y788 V800 L804 | V714-K802 CarbonylContact C-O 3.54Å; V714-K802 VanDerWaalsContact CA-O 3.32Å; V714-K802 WeakPolarHBondContact CA-O 3.42Å; S715-K802 PolarHBondContact N-O 3.44Å; S715-K802 WeakPolarHBondContact O-CB 3.36Å; S715-K802 PolarHBondContact O-N 3.09Å; S715-K802 VanDerWaalsContact OG-CE 3.26Å; S715-K802 WeakPolarHBondContact OG-CE 3.29Å; S715-K802 PolarHBondContact OG-NZ 2.94Å; Y788-K802 CarbonylContact O-C 3.59Å; Y788-K802 WeakPolarHBondContact O-CA 3.4Å; V800-K802 HydrophobicContact CG1-CG 4.27Å; K802-L804 HydrophobicContact CB-CG 4.35Å |
| 803 | F | 90 | Very high | 84.7 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 0% | 0.004 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 113.7 | 171.5 | -53.5 | -95.8 | 0 | 0 | 0 | 107.7 | L708 Y712 V714 I769 L770 Y788 R790 | L708-F803 HydrophobicContact CD2-CB 4.35Å; L708-F803 HydrophobicContact CD2-CD1 3.94Å; L708-F803 HydrophobicContact CD2-CG 4.28Å; Y712-F803 HydrophobicContact CD1-CB 4.05Å; V714-F803 HydrophobicContact CG2-CD1 3.57Å; V714-F803 HydrophobicContact CG2-CE1 3.72Å; V714-F803 HydrophobicContact CG2-CG 4.45Å; I769-F803 HydrophobicContact CG2-CE1 4.4Å; L770-F803 HydrophobicContact CD1-CZ 4.16Å; L770-F803 HydrophobicContact CD2-CE1 4.12Å; L770-F803 HydrophobicContact CD2-CZ 3.75Å; L770-F803 HydrophobicContact CG-CZ 4.2Å; Y788-F803 HydrophobicContact CD2-CB 4.36Å; Y788-F803 PolarHBondContact N-O 2.9Å; Y788-F803 VanDerWaalsContact N-O 3.09Å; Y788-F803 PolarHBondContact O-N 2.89Å; R790-F803 HydrophobicContact CB-CE2 4.36Å |
| 804 | L | 88.3 | Confident | 84.4 | Confident | 34 Ų | 34 | 65 Ų | 65 | 18% | 0.178 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 141 | -176 | -62.2 | 172.4 | 0 | 0 | 0 | 109.1 | Y712 Y713 T787 K802 | Y712-L804 CarbonylContact C-O 3.57Å; Y712-L804 VanDerWaalsContact CA-O 3.28Å; Y712-L804 WeakPolarHBondContact CA-O 3.4Å; Y713-L804 HydrophobicContact CD1-CB 4.21Å; Y713-L804 VanDerWaalsContact CD1-O 3.32Å; Y713-L804 WeakPolarHBondContact CD1-O 3.42Å; Y713-L804 HydrophobicContact CE1-CB 3.62Å; Y713-L804 HydrophobicContact CE2-CB 3.99Å; Y713-L804 HydrophobicContact CE2-CD1 3.83Å; Y713-L804 HydrophobicContact CE2-CG 4.46Å; Y713-L804 VanDerWaalsContact CZ-CB 3.49Å; Y713-L804 PolarHBondContact N-O 3.47Å; Y713-L804 PolarHBondContact O-N 2.83Å; Y713-L804 WeakPolarHBondContact OH-CD1 3.32Å; T787-L804 HydrophobicContact CG2-CD2 3.74Å; K802-L804 HydrophobicContact CB-CG 4.35Å |
| 805 | P | 86.3 | Confident | 84.2 | Confident | 22 Ų | 22 | 67.4 Ų | 67.4 | 14% | 0.143 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 138 | -178.6 | 29.3 | -31.5 | 0 | 0 | 0 | 109.6 | Y712 Y713 C786 | Y712-P805 HydrophobicContact CE1-CB 4.38Å; Y713-P805 WeakPolarHBondContact CE1-O 3.46Å; C786-P805 HydrophobicContact CB-CB 4.5Å; C786-P805 HydrophobicContact CB-CG 4.38Å; C786-P805 WeakPolarHBondContact O-CD 3.18Å |
| 806 | R | 83.7 | Confident | 84.1 | Confident | 144 Ų | 144 | 66 Ų | 66 | 54% | 0.543 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -69.4 | -37 | 176.9 | -70.4 | 177 | -174.7 | -82.3 | -2.3 | 111.4 | N710 D711 Y712 Y713 | N710-R806 VanDerWaalsContact O-CD 3.24Å; N710-R806 WeakPolarHBondContact O-CD 3.33Å; N710-R806 PolarHBondContact O-NE 2.97Å; D711-R806 WeakPolarHBondContact O-CB 3.1Å; D711-R806 WeakPolarHBondContact O-CG 3.2Å; D711-R806 PolarHBondContact O-N 3.23Å; Y712-R806 PolarHBondContact O-NE 2.85Å; Y712-R806 PolarHBondContact O-NH2 2.82Å; Y713-R806 HydrophobicContact CD1-CG 4.1Å |
| 807 | Q | 72.8 | Confident | 84.1 | Confident | 174 Ų | 174 | 67.6 Ų | 67.6 | 81% | 0.813 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -98.9 | 112.8 | 173.4 | -64.4 | -173.1 | 9.9 | 0 | 0 | 109.1 | ||
| 808 | N | 64.9 | Low | 84.1 | Confident | 105 Ų | 105 | 66.7 Ų | 66.7 | 56% | 0.561 | 32% | 0.315 | S | S | * | . | trans | -89.1 | 112.3 | 168.5 | -85.6 | -21.1 | 0 | 0 | 0 | 108.5 | R810 | N808-R810 PolarHBondContact O-N 3.06Å; N808-R810 VanDerWaalsContact O-N 3.08Å | ||
| 809 | T | 65.5 | Low | 84 | Confident | 109 Ų | 109 | 67.1 Ų | 67.1 | 67% | 0.669 | 32% | 0.317 | S | S | * | . | trans | -58.4 | 112.9 | 165.9 | 8.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 810 | R | 66.7 | Low | 84 | Confident | 232 Ų | 232 | 64.4 Ų | 64.4 | 88% | 0.875 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -93.1 | 123.7 | 174.6 | -70.1 | -174.2 | 179.2 | 179.3 | 1.8 | 108.2 | N808 | N808-R810 PolarHBondContact O-N 3.06Å; N808-R810 VanDerWaalsContact O-N 3.08Å |
| 811 | F | 75.1 | Confident | 83.9 | Confident | 53 Ų | 53 | 65.2 Ų | 65.2 | 23% | 0.232 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -96.5 | 132.5 | 169 | -60.6 | -84.3 | 0 | 0 | 0 | 108.7 | M357 L358 Q361 L837 | M357-F811 HydrophobicContact CB-CE1 3.93Å; L358-F811 HydrophobicContact CB-CD1 4.15Å; L358-F811 HydrophobicContact CD1-CB 3.91Å; L358-F811 HydrophobicContact CD1-CD1 4.34Å; L358-F811 HydrophobicContact CD1-CG 4.07Å; Q361-F811 HydrophobicContact CB-CE2 4.28Å; Q361-F811 HydrophobicContact CB-CZ 4.18Å; Q361-F811 HydrophobicContact CG-CE2 4.2Å; Q361-F811 HydrophobicContact CG-CZ 4.49Å; F811-L837 HydrophobicContact CD2-CD2 4.03Å; F811-L837 HydrophobicContact CE2-CD2 4.2Å |
| 812 | S | 75 | Confident | 83.5 | Confident | 81 Ų | 81 | 65.5 Ų | 65.5 | 57% | 0.566 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 146.4 | 169.5 | 45.1 | 0 | 0 | 0 | 0 | 110 | C814 | S812-C814 PolarHBondContact O-N 3.32Š|
| 813 | E | 83.6 | Confident | 83 | Confident | 110 Ų | 110 | 66 Ų | 66 | 51% | 0.514 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 125.7 | 169.1 | -68.6 | 173.8 | -162.2 | 0 | 0 | 109 | V834 Q836 | E813-V834 HydrophobicContact CB-CG1 3.9Å; E813-V834 HydrophobicContact CG-CG1 4.27Å; E813-Q836 HydrophobicContact CG-CB 4.23Å |
| 814 | C | 87.4 | Confident | 82.3 | Confident | 37 Ų | 37 | 71.5 Ų | 71.5 | 25% | 0.25 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 113.1 | 176.3 | 178.7 | 0 | 0 | 0 | 0 | 109 | L358 S812 V834 F835 | L358-C814 HydrophobicContact CD2-CB 4.28Å; S812-C814 PolarHBondContact O-N 3.32Å; C814-V834 CarbonylContact O-C 3.5Å; C814-V834 WeakPolarHBondContact O-CA 3.33Å; C814-F835 HydrophobicContact CB-CB 4.15Å; C814-F835 HydrophobicContact CB-CD2 4.3Å; C814-F835 PolarHBondContact N-O 2.63Å; C814-F835 PolarHBondContact O-N 3.14Å |
| 815 | Q | 87.9 | Confident | 81.8 | Confident | 90 Ų | 90 | 70.7 Ų | 70.7 | 42% | 0.421 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 126.5 | 175.8 | -54.6 | -72.1 | -48.1 | 0 | 0 | 108.8 | Y817 H832 V834 | Q815-Y817 HydrophobicContact CB-CE2 4.19Å; Q815-H832 PolarHBondContact OE1-CE1 2.9Å; Q815-H832 PolarHBondContact OE1-NE2 2.84Å; Q815-V834 VanDerWaalsContact OE1-CG2 3.31Å |
| 816 | Y | 90.5 | Very high | 81.4 | Confident | 6 Ų | 6 | 74.8 Ų | 74.8 | 2% | 0.024 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 127.5 | -177.4 | -176.2 | -117.1 | 0 | 0 | 0 | 111.6 | D258 Y260 E314 I318 Y818 H832 T833 F835 | D258-Y816 VanDerWaalsContact CB-OH 3.24Å; D258-Y816 WeakPolarHBondContact CB-OH 3.27Å; D258-Y816 WeakPolarHBondContact OD2-CE2 3.48Å; D258-Y816 PolarHBondContact OD2-OH 3.12Å; Y260-Y816 HydrophobicContact CE2-CE1 4.11Å; Y260-Y816 WeakPolarHBondContact CE2-OH 3.13Å; Y260-Y816 PolarHBondContact OH-OH 3.43Å; E314-Y816 HydrophobicContact CB-CD2 4.03Å; E314-Y816 HydrophobicContact CB-CE1 4.06Å; E314-Y816 HydrophobicContact CB-CE2 3.5Å; E314-Y816 VanDerWaalsContact CB-CE2 3.5Å; E314-Y816 VanDerWaalsContact CB-CZ 3.48Å; E314-Y816 HydrophobicContact CG-CD2 3.91Å; E314-Y816 HydrophobicContact CG-CE2 3.53Å; I318-Y816 HydrophobicContact CD1-CE1 4.02Å; I318-Y816 HydrophobicContact CG1-CE1 4.4Å; Y816-Y818 AromaticContact CD1-CD1 3.55Å; Y816-Y818 HydrophobicContact CD1-CD1 3.55Å; Y816-Y818 HydrophobicContact CD1-CE1 4.16Å; Y816-Y818 HydrophobicContact CD1-CG 4.35Å; Y816-Y818 AromaticContact CE1-CD1 3.53Å; Y816-Y818 HydrophobicContact CE1-CD1 3.53Å; Y816-Y818 HydrophobicContact CE1-CE1 4.4Å; Y816-Y818 AromaticContact CE1-CG 3.88Å; Y816-Y818 HydrophobicContact CE1-CG 3.88Å; Y816-H832 WeakPolarHBondContact O-CA 3.19Å; Y816-H832 PolarHBondContact O-CD2 3.1Å; Y816-T833 HydrophobicContact CD1-CG2 4.27Å; Y816-T833 PolarHBondContact N-O 2.8Å; Y816-T833 PolarHBondContact O-N 2.95Å; Y816-F835 HydrophobicContact CD1-CE1 4.38Å; Y816-F835 HydrophobicContact CD1-CE2 4.02Å; Y816-F835 AromaticContact CD1-CZ 3.47Å; Y816-F835 HydrophobicContact CD1-CZ 3.47Å; Y816-F835 VanDerWaalsContact CD1-CZ 3.47Å; Y816-F835 HydrophobicContact CD2-CE2 4.3Å; Y816-F835 HydrophobicContact CE1-CZ 4.3Å; Y816-F835 AromaticContact CG-CE2 3.68Å; Y816-F835 HydrophobicContact CG-CE2 3.68Å; Y816-F835 AromaticContact CG-CZ 3.62Å; Y816-F835 HydrophobicContact CG-CZ 3.62Å |
| 817 | Y | 90.4 | Very high | 81.5 | Confident | 100 Ų | 100 | 70.2 Ų | 70.2 | 39% | 0.392 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 135.9 | 179.8 | -61.5 | -90.5 | 0 | 0 | 0 | 110.1 | L248 Q815 C831 H832 | L248-Y817 HydrophobicContact CD2-CD2 4.08Å; Q815-Y817 HydrophobicContact CB-CE2 4.19Å; Y817-C831 WeakPolarHBondContact CA-O 3.27Å; Y817-H832 HydrophobicContact CD1-CB 3.88Å; Y817-H832 AromaticContact CD1-CD2 3.48Å; Y817-H832 VanDerWaalsContact CD1-CD2 3.48Å; Y817-H832 WeakPolarHBondContact CD1-CD2 3.46Å; Y817-H832 AromaticContact CD1-CG 3.97Å; Y817-H832 HydrophobicContact CE1-CB 3.9Å; Y817-H832 AromaticContact CE1-CD2 3.13Å; Y817-H832 WeakPolarHBondContact CE1-CD2 3.33Å; Y817-H832 AromaticContact CE1-CG 3.61Å; Y817-H832 AromaticContact CE1-NE2 3.94Å; Y817-H832 AromaticContact CE2-CD2 3.76Å; Y817-H832 AromaticContact CG-CD2 3.92Å; Y817-H832 AromaticContact CZ-CD2 3.28Å; Y817-H832 AromaticContact CZ-NE2 3.64Å |
| 818 | Y | 92.5 | Very high | 82.3 | Confident | 11 Ų | 11 | 62.3 Ų | 62.3 | 4% | 0.043 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 166.4 | -176.2 | 59.7 | -79.1 | 0 | 0 | 0 | 111.9 | Y260 Y816 L820 C831 T833 P1154 | Y260-Y818 AromaticContact CD2-CD2 3.62Å; Y260-Y818 HydrophobicContact CD2-CD2 3.62Å; Y260-Y818 HydrophobicContact CD2-CG 4.02Å; Y260-Y818 AromaticContact CE2-CD2 4Å; Y260-Y818 HydrophobicContact CE2-CD2 4Å; Y260-Y818 AromaticContact CE2-CG 3.96Å; Y260-Y818 HydrophobicContact CE2-CG 3.96Å; Y260-Y818 HydrophobicContact CG-CD2 4.42Å; Y816-Y818 AromaticContact CD1-CD1 3.55Å; Y816-Y818 HydrophobicContact CD1-CD1 3.55Å; Y816-Y818 HydrophobicContact CD1-CE1 4.16Å; Y816-Y818 HydrophobicContact CD1-CG 4.35Å; Y816-Y818 AromaticContact CE1-CD1 3.53Å; Y816-Y818 HydrophobicContact CE1-CD1 3.53Å; Y816-Y818 HydrophobicContact CE1-CE1 4.4Å; Y816-Y818 AromaticContact CE1-CG 3.88Å; Y816-Y818 HydrophobicContact CE1-CG 3.88Å; Y818-L820 HydrophobicContact CD2-CB 4.21Å; Y818-L820 HydrophobicContact CE2-CB 4Å; Y818-C831 HydrophobicContact CD1-CB 4.33Å; Y818-C831 HydrophobicContact CD2-CB 3.99Å; Y818-C831 HydrophobicContact CE1-CB 3.83Å; Y818-C831 HydrophobicContact CE2-CB 3.47Å; Y818-C831 VanDerWaalsContact CE2-CB 3.47Å; Y818-C831 HydrophobicContact CG-CB 4.38Å; Y818-C831 PolarHBondContact N-O 3.44Å; Y818-C831 PolarHBondContact O-N 3.37Å; Y818-T833 HydrophobicContact CE1-CG2 4.08Å; Y818-P1154 WeakPolarHBondContact OH-CA 3.19Å; Y818-P1154 WeakPolarHBondContact OH-CB 3.46Å; Y818-P1154 PolarHBondContact OH-O 3.2Å |
| 819 | L | 93.3 | Very high | 83.3 | Confident | 9 Ų | 9 | 59.9 Ų | 59.9 | 5% | 0.047 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 117.9 | 177.2 | -70.3 | 170.1 | 0 | 0 | 0 | 109.7 | Q257 D258 F259 Y260 Y828 N829 A830 | Q257-L819 HydrophobicContact CB-CD1 4.29Å; D258-L819 PolarHBondContact O-N 3.11Å; F259-L819 CarbonylContact C-O 3.54Å; F259-L819 WeakPolarHBondContact CA-O 3.31Å; F259-L819 HydrophobicContact CD1-CB 3.98Å; F259-L819 HydrophobicContact CD1-CD1 4Å; F259-L819 HydrophobicContact CE1-CB 4.21Å; F259-L819 HydrophobicContact CE1-CD1 3.38Å; F259-L819 HydrophobicContact CE1-CG 4.44Å; F259-L819 HydrophobicContact CE2-CD1 4.13Å; F259-L819 HydrophobicContact CG-CB 4.47Å; F259-L819 HydrophobicContact CZ-CD1 3.46Å; F259-L819 VanDerWaalsContact CZ-CD1 3.46Å; Y260-L819 PolarHBondContact N-O 3.25Å; L819-Y828 HydrophobicContact CB-CD1 4.23Å; L819-N829 CarbonylContact C-O 3.54Å; L819-N829 WeakPolarHBondContact CA-O 3.49Å; L819-A830 HydrophobicContact CD2-CB 4.14Å |
| 820 | L | 92.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 129.5 | -178.7 | 177.9 | 61.7 | 0 | 0 | 0 | 111.7 | Y260 L262 Y818 Y828 N829 P1154 F1155 N1157 | Y260-L820 WeakPolarHBondContact O-CA 3.32Å; L262-L820 HydrophobicContact CB-CD1 4.22Å; Y818-L820 HydrophobicContact CD2-CB 4.21Å; Y818-L820 HydrophobicContact CE2-CB 4Å; L820-Y828 WeakPolarHBondContact O-CA 3.39Å; L820-N829 PolarHBondContact N-O 3.3Å; L820-N829 PolarHBondContact O-N 2.8Å; L820-P1154 VanDerWaalsContact CD2-O 3.31Å; L820-P1154 WeakPolarHBondContact CD2-O 3.28Å; L820-F1155 HydrophobicContact CD1-CD1 4.06Å; L820-F1155 HydrophobicContact CD2-CD1 4.41Å; L820-N1157 WeakPolarHBondContact CD2-ND2 3.03Å |
| 821 | Q | 91.6 | Very high | 85.3 | Confident | 17 Ų | 17 | 46 Ų | 46 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 112.6 | 162.2 | -174.9 | 174.8 | 21.6 | 0 | 0 | 109 | Y260 H261 L262 S289 V825 P826 Y828 | Y260-Q821 PolarHBondContact O-N 2.68Å; H261-Q821 PolarHBondContact CE1-OE1 3.01Å; H261-Q821 VanDerWaalsContact CE1-OE1 3.22Å; H261-Q821 PolarHBondContact ND1-OE1 3.33Å; L262-Q821 PolarHBondContact N-O 3.17Å; S289-Q821 PolarHBondContact OG-OE1 3.14Å; Q821-V825 VanDerWaalsContact CG-O 3.25Å; Q821-V825 WeakPolarHBondContact CG-O 3.48Å; Q821-V825 PolarHBondContact NE2-O 2.67Å; Q821-P826 PolarHBondContact NE2-O 3.04Å; Q821-Y828 HydrophobicContact CB-CD1 3.67Å; Q821-Y828 HydrophobicContact CB-CD2 4.46Å; Q821-Y828 HydrophobicContact CB-CE1 3.61Å; Q821-Y828 HydrophobicContact CB-CE2 4.41Å; Q821-Y828 HydrophobicContact CB-CG 4.1Å |
| 822 | G | 85 | Confident | 85.8 | Confident | 7 Ų | 7 | 44.9 Ų | 44.9 | 7% | 0.072 | 25% | 0.251 | C | S | . | . | trans | -81.7 | 169.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D824 V825 | G822-D824 PolarHBondContact O-N 2.76Å; G822-V825 PolarHBondContact O-N 3.38Å | ||
| 823 | P | 80.3 | Confident | 86.4 | Confident | 44 Ų | 44 | 41 Ų | 41 | 29% | 0.286 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 136.5 | 170.5 | -23.5 | 32.9 | 0 | 0 | 0 | 110.9 | L262 V825 | L262-P823 HydrophobicContact CD2-CG 4.33Å; L262-P823 HydrophobicContact CG-CG 4.14Å; L262-P823 WeakPolarHBondContact O-CD 3.23Å; L262-P823 WeakPolarHBondContact O-CG 3.48Å; P823-V825 PolarHBondContact O-N 3.06Å |
| 824 | D | 75 | Confident | 86.6 | Confident | 117 Ų | 117 | 36.6 Ų | 36.6 | 63% | 0.626 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 5.2 | 180 | -47.7 | -54.7 | 0 | 0 | 0 | 115.5 | G822 I1159 | G822-D824 PolarHBondContact O-N 2.76Å; D824-I1159 HydrophobicContact CB-CD1 4.43Å |
| 825 | V | 79.1 | Confident | 86.7 | Confident | 16 Ų | 16 | 34.9 Ų | 34.9 | 10% | 0.097 | 19% | 0.193 | C | C | . | . | trans | -92.5 | 120.3 | 172.8 | -173.6 | 0 | 0 | 0 | 0 | 108.9 | Q821 G822 P823 T827 I1159 | Q821-V825 VanDerWaalsContact CG-O 3.25Å; Q821-V825 WeakPolarHBondContact CG-O 3.48Å; Q821-V825 PolarHBondContact NE2-O 2.67Å; G822-V825 PolarHBondContact O-N 3.38Å; P823-V825 PolarHBondContact O-N 3.06Å; V825-T827 VanDerWaalsContact C-N 3.26Å; V825-T827 WeakPolarHBondContact CG1-O 3.43Å; V825-T827 PolarHBondContact O-N 2.99Å; V825-I1159 HydrophobicContact CG2-CG1 4.2Å | ||
| 826 | P | 77.9 | Confident | 86.6 | Confident | 109 Ų | 109 | 33.7 Ų | 33.7 | 71% | 0.708 | 19% | 0.187 | S | C | * | . | trans | -75.7 | -12.6 | -174.7 | 28.8 | -34.6 | 0 | 0 | 0 | 113.8 | Q821 | Q821-P826 PolarHBondContact NE2-O 3.04Š| ||
| 827 | T | 85.4 | Confident | 86.1 | Confident | 47 Ų | 47 | 36 Ų | 36 | 29% | 0.288 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -132 | 153.4 | -170.7 | 57.9 | 0 | 0 | 0 | 0 | 112.3 | V825 | V825-T827 VanDerWaalsContact C-N 3.26Å; V825-T827 WeakPolarHBondContact CG1-O 3.43Å; V825-T827 PolarHBondContact O-N 2.99Å |
| 828 | Y | 89.7 | Confident | 84.9 | Confident | 8 Ų | 8 | 34.4 Ų | 34.4 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | trans | -75.5 | 134.4 | 168 | -68.1 | -89.3 | 0 | 0 | 0 | 111.6 | F259 Y260 S289 I290 H293 L819 L820 Q821 | F259-Y828 HydrophobicContact CB-CE1 4.17Å; F259-Y828 AromaticContact CD1-CD1 3.83Å; F259-Y828 HydrophobicContact CD1-CD1 3.83Å; F259-Y828 HydrophobicContact CD1-CD2 4.29Å; F259-Y828 AromaticContact CD1-CE1 3.84Å; F259-Y828 HydrophobicContact CD1-CE1 3.84Å; F259-Y828 HydrophobicContact CD1-CE2 4.31Å; F259-Y828 HydrophobicContact CD1-CG 4.06Å; F259-Y828 HydrophobicContact CE1-CG 4.43Å; Y260-Y828 WeakPolarHBondContact O-CE1 3.47Å; S289-Y828 WeakPolarHBondContact OG-CE2 3.35Å; I290-Y828 HydrophobicContact CG1-CE2 4.03Å; I290-Y828 WeakPolarHBondContact CG1-OH 3.33Å; H293-Y828 HydrophobicContact CB-CD2 4.19Å; L819-Y828 HydrophobicContact CB-CD1 4.23Å; L820-Y828 WeakPolarHBondContact O-CA 3.39Å; Q821-Y828 HydrophobicContact CB-CD1 3.67Å; Q821-Y828 HydrophobicContact CB-CD2 4.46Å; Q821-Y828 HydrophobicContact CB-CE1 3.61Å; Q821-Y828 HydrophobicContact CB-CE2 4.41Å; Q821-Y828 HydrophobicContact CB-CG 4.1Å | ||
| 829 | N | 85.8 | Confident | 83.2 | Confident | 54 Ų | 54 | 43.2 Ų | 43.2 | 29% | 0.289 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 141.9 | 175.3 | -63.4 | -27.2 | 0 | 0 | 0 | 110 | L819 L820 | L819-N829 CarbonylContact C-O 3.54Å; L819-N829 WeakPolarHBondContact CA-O 3.49Å; L820-N829 PolarHBondContact N-O 3.3Å; L820-N829 PolarHBondContact O-N 2.8Å |
| 830 | A | 87 | Confident | 81.5 | Confident | 44 Ų | 44 | 45.9 Ų | 45.9 | 36% | 0.364 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 127.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | L246 L819 P1147 | L246-A830 HydrophobicContact CD1-CB 4.1Å; L246-A830 HydrophobicContact CD2-CB 4.03Å; L819-A830 HydrophobicContact CD2-CB 4.14Å; A830-P1147 WeakPolarHBondContact O-CB 3.31Å |
| 831 | C | 87.3 | Confident | 79.6 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.034 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 156.3 | -178.9 | -65.8 | 0 | 0 | 0 | 0 | 109.8 | Y817 Y818 N1157 | Y817-C831 WeakPolarHBondContact CA-O 3.27Å; Y818-C831 HydrophobicContact CD1-CB 4.33Å; Y818-C831 HydrophobicContact CD2-CB 3.99Å; Y818-C831 HydrophobicContact CE1-CB 3.83Å; Y818-C831 HydrophobicContact CE2-CB 3.47Å; Y818-C831 VanDerWaalsContact CE2-CB 3.47Å; Y818-C831 HydrophobicContact CG-CB 4.38Å; Y818-C831 PolarHBondContact N-O 3.44Å; Y818-C831 PolarHBondContact O-N 3.37Å; C831-N1157 PolarHBondContact SG-ND2 3.04Å; C831-N1157 VanDerWaalsContact SG-ND2 3.38Å |
| 832 | H | 84.8 | Confident | 78.3 | Confident | 30 Ų | 30 | 53 Ų | 53 | 14% | 0.139 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 141.6 | -179.5 | 173.1 | -106 | 0 | 0 | 0 | 110.7 | Q815 Y816 Y817 P1147 | Q815-H832 PolarHBondContact OE1-CE1 2.9Å; Q815-H832 PolarHBondContact OE1-NE2 2.84Å; Y816-H832 WeakPolarHBondContact O-CA 3.19Å; Y816-H832 PolarHBondContact O-CD2 3.1Å; Y817-H832 HydrophobicContact CD1-CB 3.88Å; Y817-H832 AromaticContact CD1-CD2 3.48Å; Y817-H832 VanDerWaalsContact CD1-CD2 3.48Å; Y817-H832 WeakPolarHBondContact CD1-CD2 3.46Å; Y817-H832 AromaticContact CD1-CG 3.97Å; Y817-H832 HydrophobicContact CE1-CB 3.9Å; Y817-H832 AromaticContact CE1-CD2 3.13Å; Y817-H832 WeakPolarHBondContact CE1-CD2 3.33Å; Y817-H832 AromaticContact CE1-CG 3.61Å; Y817-H832 AromaticContact CE1-NE2 3.94Å; Y817-H832 AromaticContact CE2-CD2 3.76Å; Y817-H832 AromaticContact CG-CD2 3.92Å; Y817-H832 AromaticContact CZ-CD2 3.28Å; Y817-H832 AromaticContact CZ-NE2 3.64Å; H832-P1147 PolarHBondContact N-O 2.9Å |
| 833 | T | 87.2 | Confident | 77.8 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 165.7 | 171.8 | -162.8 | 0 | 0 | 0 | 0 | 110.8 | N321 Y816 Y818 F835 P1150 | N321-T833 PolarHBondContact ND2-OG1 3.01Å; Y816-T833 HydrophobicContact CD1-CG2 4.27Å; Y816-T833 PolarHBondContact N-O 2.8Å; Y816-T833 PolarHBondContact O-N 2.95Å; Y818-T833 HydrophobicContact CE1-CG2 4.08Å; T833-F835 HydrophobicContact CG2-CD1 4.14Å; T833-F835 HydrophobicContact CG2-CE1 3.5Å; T833-F835 VanDerWaalsContact CG2-CE1 3.5Å; T833-F835 HydrophobicContact CG2-CZ 4.13Å; T833-P1150 PolarHBondContact OG1-O 2.87Å |
| 834 | V | 88.3 | Confident | 78 | Confident | 17 Ų | 17 | 57 Ų | 57 | 10% | 0.103 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 129.1 | 179.1 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | N321 E813 C814 Q815 P1150 | N321-V834 PolarHBondContact ND2-O 3.45Å; E813-V834 HydrophobicContact CB-CG1 3.9Å; E813-V834 HydrophobicContact CG-CG1 4.27Å; C814-V834 CarbonylContact O-C 3.5Å; C814-V834 WeakPolarHBondContact O-CA 3.33Å; Q815-V834 VanDerWaalsContact OE1-CG2 3.31Å; V834-P1150 HydrophobicContact CB-CB 4.26Å; V834-P1150 HydrophobicContact CG2-CB 3.66Å; V834-P1150 HydrophobicContact CG2-CG 4.42Å |
| 835 | F | 90.3 | Very high | 78.6 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 122.3 | 169.7 | -47.9 | -38.3 | 0 | 0 | 0 | 108.5 | E314 N317 I318 L355 L358 C814 Y816 T833 | E314-F835 HydrophobicContact CB-CE2 4.38Å; E314-F835 WeakPolarHBondContact O-CZ 3.38Å; N317-F835 HydrophobicContact CB-CB 4.42Å; N317-F835 HydrophobicContact CB-CD1 3.57Å; N317-F835 HydrophobicContact CB-CD2 3.68Å; N317-F835 HydrophobicContact CB-CE1 3.53Å; N317-F835 HydrophobicContact CB-CE2 3.65Å; N317-F835 HydrophobicContact CB-CG 3.63Å; N317-F835 HydrophobicContact CB-CZ 3.56Å; I318-F835 HydrophobicContact CG1-CE1 4.3Å; I318-F835 HydrophobicContact CG1-CZ 4.21Å; L355-F835 HydrophobicContact CD1-CD2 4.1Å; L358-F835 HydrophobicContact CD2-CB 3.9Å; C814-F835 HydrophobicContact CB-CB 4.15Å; C814-F835 HydrophobicContact CB-CD2 4.3Å; C814-F835 PolarHBondContact N-O 2.63Å; C814-F835 PolarHBondContact O-N 3.14Å; Y816-F835 HydrophobicContact CD1-CE1 4.38Å; Y816-F835 HydrophobicContact CD1-CE2 4.02Å; Y816-F835 AromaticContact CD1-CZ 3.47Å; Y816-F835 HydrophobicContact CD1-CZ 3.47Å; Y816-F835 VanDerWaalsContact CD1-CZ 3.47Å; Y816-F835 HydrophobicContact CD2-CE2 4.3Å; Y816-F835 HydrophobicContact CE1-CZ 4.3Å; Y816-F835 AromaticContact CG-CE2 3.68Å; Y816-F835 HydrophobicContact CG-CE2 3.68Å; Y816-F835 AromaticContact CG-CZ 3.62Å; Y816-F835 HydrophobicContact CG-CZ 3.62Å; T833-F835 HydrophobicContact CG2-CD1 4.14Å; T833-F835 HydrophobicContact CG2-CE1 3.5Å; T833-F835 VanDerWaalsContact CG2-CE1 3.5Å; T833-F835 HydrophobicContact CG2-CZ 4.13Å |
| 836 | Q | 85.7 | Confident | 79 | Confident | 66 Ų | 66 | 53.8 Ų | 53.8 | 31% | 0.308 | 31% | 0.308 | S | S | . | . | trans | -149.1 | 158 | -179.9 | 64.5 | -176.6 | 4 | 0 | 0 | 110 | R362 E813 | R362-Q836 PolarHBondContact NE-O 2.82Å; E813-Q836 HydrophobicContact CG-CB 4.23Å | ||
| 837 | L | 78.5 | Confident | 79.5 | Confident | 53 Ų | 53 | 51.4 Ų | 51.4 | 28% | 0.277 | 29% | 0.287 | S | S | . | . | trans | -83.4 | 129.2 | 172 | -158.9 | 73.9 | 0 | 0 | 0 | 109.6 | Q361 R362 D365 F811 | Q361-L837 HydrophobicContact CB-CD1 3.98Å; Q361-L837 HydrophobicContact CG-CD1 3.61Å; Q361-L837 HydrophobicContact CG-CD2 4.02Å; Q361-L837 HydrophobicContact CG-CG 4.49Å; R362-L837 HydrophobicContact CG-CD1 3.85Å; D365-L837 WeakPolarHBondContact OD2-CD1 3.37Å; F811-L837 HydrophobicContact CD2-CD2 4.03Å; F811-L837 HydrophobicContact CE2-CD2 4.2Å | ||
| 838 | D | 65.9 | Low | 79.5 | Confident | 67 Ų | 67 | 49.2 Ų | 49.2 | 36% | 0.358 | 27% | 0.273 | S | S | . | . | trans | -73.2 | 135.6 | 175.5 | -84.2 | -20.2 | 0 | 0 | 0 | 110.6 | T324 L840 | T324-D838 WeakPolarHBondContact CB-OD2 3.49Å; T324-D838 PolarHBondContact OG1-OD2 3.26Å; D838-L840 PolarHBondContact O-N 2.89Å; D838-L840 VanDerWaalsContact O-N 3.13Å | ||
| 839 | R | 57.7 | Low | 79.6 | Confident | 197 Ų | 197 | 48.8 Ų | 48.8 | 74% | 0.743 | 27% | 0.272 | S | S | * | . | trans | -89 | 79.5 | -168.6 | -60.4 | -176.6 | -170.7 | 179 | 4.1 | 111.6 | S841 G842 | R839-S841 PolarHBondContact O-N 2.96Å; R839-S841 VanDerWaalsContact O-N 3.16Å; R839-G842 PolarHBondContact O-N 2.92Å | ||
| 840 | L | 56 | Low | 79.8 | Confident | 64 Ų | 64 | 49 Ų | 49 | 34% | 0.335 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -54.7 | -29.3 | 167.7 | -81.3 | 158.3 | 0 | 0 | 0 | 112.6 | E784 D838 G842 I843 | E784-L840 WeakPolarHBondContact OE1-CD1 3.27Å; D838-L840 PolarHBondContact O-N 2.89Å; D838-L840 VanDerWaalsContact O-N 3.13Å; L840-G842 PolarHBondContact O-N 3.03Å; L840-I843 HydrophobicContact CD2-CD1 3.84Å; L840-I843 WeakPolarHBondContact O-CG1 3.46Å; L840-I843 PolarHBondContact O-N 3.35Å |
| 841 | S | 52.8 | Low | 79.7 | Confident | 104 Ų | 104 | 46.9 Ų | 46.9 | 73% | 0.727 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -58.4 | -12.9 | 175.5 | 56.1 | 0 | 0 | 0 | 0 | 114.4 | R839 | R839-S841 PolarHBondContact O-N 2.96Å; R839-S841 VanDerWaalsContact O-N 3.16Å |
| 842 | G | 64.4 | Low | 79.7 | Confident | 63 Ų | 63 | 46.7 Ų | 46.7 | 65% | 0.649 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -80.8 | -9.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | R839 L840 N844 | R839-G842 PolarHBondContact O-N 2.92Å; L840-G842 PolarHBondContact O-N 3.03Å; G842-N844 PolarHBondContact O-N 3.41Å |
| 843 | I | 74.7 | Confident | 79.8 | Confident | 41 Ų | 41 | 45.6 Ų | 45.6 | 21% | 0.21 | 25% | 0.249 | C | C | . | . | trans | -74.4 | 117.8 | -175.4 | -60.5 | 175.7 | 0 | 0 | 0 | 110.7 | L840 W845 L848 | L840-I843 HydrophobicContact CD2-CD1 3.84Å; L840-I843 WeakPolarHBondContact O-CG1 3.46Å; L840-I843 PolarHBondContact O-N 3.35Å; I843-W845 VanDerWaalsContact C-N 3.34Å; I843-W845 HydrophobicContact CD1-CZ2 4.5Å; I843-W845 HydrophobicContact CG2-CD2 4.11Å; I843-W845 HydrophobicContact CG2-CG 4.31Å; I843-W845 HydrophobicContact CG2-CZ2 4.41Å; I843-W845 PolarHBondContact O-N 2.85Å; I843-L848 HydrophobicContact CG2-CD2 4.1Å | ||
| 844 | N | 83.7 | Confident | 79.7 | Confident | 95 Ų | 95 | 48.9 Ų | 48.9 | 51% | 0.508 | 27% | 0.265 | S | S | . | . | trans | -75.6 | 86 | 169.3 | -172 | -14.2 | 0 | 0 | 0 | 110.5 | G842 S846 F847 L848 | G842-N844 PolarHBondContact O-N 3.41Å; N844-S846 VanDerWaalsContact C-N 3.3Å; N844-S846 PolarHBondContact O-N 3.2Å; N844-S846 PolarHBondContact OD1-N 3.43Å; N844-S846 PolarHBondContact OD1-OG 3.46Å; N844-F847 HydrophobicContact CB-CB 4.09Å; N844-F847 PolarHBondContact O-N 2.97Å; N844-F847 PolarHBondContact OD1-N 3.04Å; N844-L848 PolarHBondContact O-N 2.98Å | ||
| 845 | W | 88.1 | Confident | 79.2 | Confident | 19 Ų | 19 | 48.6 Ų | 48.6 | 7% | 0.072 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.8 | -36.3 | -178.8 | -74.1 | 100.6 | 0 | 0 | 0 | 113.8 | R747 F752 H789 I843 L848 D849 | R747-W845 HydrophobicContact CB-CH2 4.33Å; R747-W845 HydrophobicContact CG-CE3 4.3Å; R747-W845 HydrophobicContact CG-CH2 3.56Å; R747-W845 HydrophobicContact CG-CZ3 3.43Å; R747-W845 VanDerWaalsContact CG-CZ3 3.43Å; F752-W845 HydrophobicContact CE2-CH2 4.27Å; F752-W845 AromaticContact CE2-CZ2 3.84Å; F752-W845 HydrophobicContact CE2-CZ2 3.84Å; F752-W845 HydrophobicContact CZ-CZ2 4.43Å; H789-W845 AromaticContact CE1-CD1 3.95Å; H789-W845 AromaticContact CE1-CD2 3.93Å; H789-W845 AromaticContact CE1-CE2 3.46Å; H789-W845 VanDerWaalsContact CE1-CE2 3.46Å; H789-W845 AromaticContact CE1-CZ2 3.79Å; H789-W845 AromaticContact CE1-NE1 3.47Å; H789-W845 PolarHBondContact CE1-NE1 3.43Å; I843-W845 VanDerWaalsContact C-N 3.34Å; I843-W845 HydrophobicContact CD1-CZ2 4.5Å; I843-W845 HydrophobicContact CG2-CD2 4.11Å; I843-W845 HydrophobicContact CG2-CG 4.31Å; I843-W845 HydrophobicContact CG2-CZ2 4.41Å; I843-W845 PolarHBondContact O-N 2.85Å; W845-L848 HydrophobicContact CE3-CD2 3.98Å; W845-L848 HydrophobicContact CZ3-CD2 3.87Å; W845-L848 PolarHBondContact O-N 3.3Å; W845-D849 VanDerWaalsContact O-CB 3.3Å; W845-D849 WeakPolarHBondContact O-CB 3.29Å; W845-D849 PolarHBondContact O-N 2.62Å |
| 846 | S | 88.8 | Confident | 78.3 | Confident | 46 Ų | 46 | 48.8 Ų | 48.8 | 32% | 0.322 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.2 | -40.7 | 179.2 | 62.9 | 0 | 0 | 0 | 0 | 111.2 | N844 N850 | N844-S846 VanDerWaalsContact C-N 3.3Å; N844-S846 PolarHBondContact O-N 3.2Å; N844-S846 PolarHBondContact OD1-N 3.43Å; N844-S846 PolarHBondContact OD1-OG 3.46Å; S846-N850 PolarHBondContact O-N 3.06Å; S846-N850 PolarHBondContact O-ND2 3.33Å |
| 847 | F | 87 | Confident | 77.6 | Confident | 59 Ų | 59 | 48.5 Ų | 48.5 | 26% | 0.259 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.9 | -46.3 | 173.4 | 177.1 | -110 | 0 | 0 | 0 | 112 | N844 D849 N850 M851 F861 L867 | N844-F847 HydrophobicContact CB-CB 4.09Å; N844-F847 PolarHBondContact O-N 2.97Å; N844-F847 PolarHBondContact OD1-N 3.04Å; F847-D849 PolarHBondContact O-N 2.83Å; F847-N850 PolarHBondContact O-N 3.31Å; F847-M851 WeakPolarHBondContact O-CB 3.39Å; F847-M851 PolarHBondContact O-N 3.28Å; F847-F861 HydrophobicContact CE2-CD1 4.16Å; F847-L867 HydrophobicContact CD1-CD1 4.46Å; F847-L867 HydrophobicContact CD1-CD2 4.2Å; F847-L867 HydrophobicContact CD1-CG 4.46Å; F847-L867 HydrophobicContact CE1-CD1 3.55Å; F847-L867 HydrophobicContact CE1-CD2 4.07Å; F847-L867 HydrophobicContact CE1-CG 3.88Å; F847-L867 HydrophobicContact CZ-CD1 4.27Å |
| 848 | L | 87 | Confident | 77.1 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 179.3 | 178.1 | 59.3 | 0 | 0 | 0 | 111.8 | I843 N844 W845 N850 M851 I852 L867 V1111 | I843-L848 HydrophobicContact CG2-CD2 4.1Å; N844-L848 PolarHBondContact O-N 2.98Å; W845-L848 HydrophobicContact CE3-CD2 3.98Å; W845-L848 HydrophobicContact CZ3-CD2 3.87Å; W845-L848 PolarHBondContact O-N 3.3Å; L848-N850 PolarHBondContact O-N 2.94Å; L848-M851 HydrophobicContact CD1-CE 3.54Å; L848-M851 WeakPolarHBondContact O-CB 3.33Å; L848-M851 PolarHBondContact O-N 3.34Å; L848-I852 HydrophobicContact CD1-CD1 4.04Å; L848-I852 HydrophobicContact CD1-CG1 4.31Å; L848-I852 HydrophobicContact CG-CD1 3.83Å; L848-I852 WeakPolarHBondContact O-CD1 3.36Å; L848-I852 VanDerWaalsContact O-CG1 3.23Å; L848-I852 WeakPolarHBondContact O-CG1 3.37Å; L848-I852 PolarHBondContact O-N 3.48Å; L848-L867 HydrophobicContact CD1-CD2 4.25Å; L848-V1111 HydrophobicContact CD1-CG1 4.23Å |
| 849 | D | 91.3 | Very high | 77.2 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.6 | -43.6 | -180 | -67.9 | -27.4 | 0 | 0 | 0 | 111.5 | H717 I719 L743 R747 W845 F847 M851 I852 I853 | H717-D849 IonicContact CE1-OD2 3.58Å; H717-D849 IonicContact NE2-OD2 2.74Å; H717-D849 PolarHBondContact NE2-OD2 3.05Å; I719-D849 HydrophobicContact CD1-CB 3.22Å; L743-D849 HydrophobicContact CD2-CB 3.97Å; R747-D849 IonicContact CZ-OD1 2.85Å; R747-D849 VanDerWaalsContact CZ-OD1 3.29Å; R747-D849 IonicContact CZ-OD2 2.93Å; R747-D849 IonicContact NH1-OD1 3.61Å; R747-D849 PolarHBondContact NH1-OD1 3.01Å; R747-D849 VanDerWaalsContact NH2-CG 3.27Å; R747-D849 IonicContact NH2-OD1 2.71Å; R747-D849 PolarHBondContact NH2-OD1 3.17Å; R747-D849 IonicContact NH2-OD2 3.57Å; R747-D849 PolarHBondContact NH2-OD2 2.89Å; W845-D849 VanDerWaalsContact O-CB 3.3Å; W845-D849 WeakPolarHBondContact O-CB 3.29Å; W845-D849 PolarHBondContact O-N 2.62Å; F847-D849 PolarHBondContact O-N 2.83Å; D849-M851 PolarHBondContact O-N 2.85Å; D849-I852 PolarHBondContact O-N 2.84Å; D849-I853 WeakPolarHBondContact O-CD1 3.18Å; D849-I853 WeakPolarHBondContact O-CG1 3.25Å; D849-I853 PolarHBondContact O-N 2.88Å |
| 850 | N | 88.5 | Confident | 77.7 | Confident | 57 Ų | 57 | 47.7 Ų | 47.7 | 31% | 0.305 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 174.2 | -79.5 | -66.4 | 0 | 0 | 0 | 111.8 | S846 F847 L848 I852 I853 M854 F861 | S846-N850 PolarHBondContact O-N 3.06Å; S846-N850 PolarHBondContact O-ND2 3.33Å; F847-N850 PolarHBondContact O-N 3.31Å; L848-N850 PolarHBondContact O-N 2.94Å; N850-I852 VanDerWaalsContact C-N 3.32Å; N850-I852 PolarHBondContact O-N 3.04Å; N850-I853 PolarHBondContact O-N 2.71Å; N850-M854 WeakPolarHBondContact O-CB 3.47Å; N850-M854 VanDerWaalsContact O-CG 3.28Å; N850-M854 WeakPolarHBondContact O-CG 3.5Å; N850-M854 PolarHBondContact O-N 2.8Å; N850-F861 HydrophobicContact CB-CD1 4.42Å; N850-F861 HydrophobicContact CB-CE1 3.63Å; N850-F861 HydrophobicContact CB-CZ 4.11Å |
| 851 | M | 85.5 | Confident | 78.3 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62 | -38.9 | 176.6 | -177.3 | -165.1 | 75.5 | 0 | 0 | 112.2 | F847 L848 D849 R855 G856 F861 L863 L867 V1111 | F847-M851 WeakPolarHBondContact O-CB 3.39Å; F847-M851 PolarHBondContact O-N 3.28Å; L848-M851 HydrophobicContact CD1-CE 3.54Å; L848-M851 WeakPolarHBondContact O-CB 3.33Å; L848-M851 PolarHBondContact O-N 3.34Å; D849-M851 PolarHBondContact O-N 2.85Å; M851-R855 PolarHBondContact O-N 2.73Å; M851-G856 PolarHBondContact O-N 3.18Å; M851-F861 HydrophobicContact CB-CB 4.35Å; M851-F861 HydrophobicContact CB-CD1 4.12Å; M851-F861 HydrophobicContact CG-CB 4.14Å; M851-F861 WeakPolarHBondContact CG-O 3.23Å; M851-L863 HydrophobicContact CE-CD2 4.04Å; M851-L863 HydrophobicContact SD-CD2 3.73Å; M851-L867 HydrophobicContact CE-CD1 4.42Å; M851-L867 HydrophobicContact CE-CD2 4.48Å; M851-L867 HydrophobicContact SD-CD1 3.45Å; M851-L867 WeakPolarHBondContact SD-CD1 3.46Å; M851-L867 HydrophobicContact SD-CD2 4.39Å; M851-V1111 HydrophobicContact CE-CB 4.03Å; M851-V1111 HydrophobicContact CE-CG1 3.91Å; M851-V1111 HydrophobicContact CE-CG2 3.72Å |
| 852 | I | 87.3 | Confident | 79 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.5 | -49.8 | 176.5 | -68.5 | 154.2 | 0 | 0 | 0 | 110.2 | W729 E742 L743 Q746 L848 D849 N850 M854 R855 V1112 | W729-I852 WeakPolarHBondContact CZ2-O 3.41Å; E742-I852 HydrophobicContact CB-CG2 4.24Å; E742-I852 HydrophobicContact CG-CG2 3.63Å; L743-I852 HydrophobicContact CD2-CB 4.28Å; L743-I852 HydrophobicContact CD2-CD1 4.13Å; L743-I852 HydrophobicContact CD2-CG2 4.11Å; Q746-I852 HydrophobicContact CB-CD1 3.73Å; Q746-I852 HydrophobicContact CG-CD1 3.48Å; Q746-I852 VanDerWaalsContact CG-CD1 3.48Å; Q746-I852 HydrophobicContact CG-CG1 4.02Å; L848-I852 HydrophobicContact CD1-CD1 4.04Å; L848-I852 HydrophobicContact CD1-CG1 4.31Å; L848-I852 HydrophobicContact CG-CD1 3.83Å; L848-I852 WeakPolarHBondContact O-CD1 3.36Å; L848-I852 VanDerWaalsContact O-CG1 3.23Å; L848-I852 WeakPolarHBondContact O-CG1 3.37Å; L848-I852 PolarHBondContact O-N 3.48Å; D849-I852 PolarHBondContact O-N 2.84Å; N850-I852 VanDerWaalsContact C-N 3.32Å; N850-I852 PolarHBondContact O-N 3.04Å; I852-M854 VanDerWaalsContact C-N 3.32Å; I852-M854 PolarHBondContact O-N 3.41Å; I852-R855 WeakPolarHBondContact O-CA 3.31Å; I852-R855 PolarHBondContact O-N 3.37Å; I852-V1112 HydrophobicContact CG2-CG2 4.43Å |
| 853 | I | 88 | Confident | 79.1 | Confident | 7 Ų | 7 | 44 Ų | 44 | 4% | 0.036 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.5 | -46.3 | -179.7 | -69.9 | 161.5 | 0 | 0 | 0 | 110.7 | I719 L721 V725 W729 I739 D849 N850 R855 | I719-I853 HydrophobicContact CB-CD1 4.36Å; I719-I853 HydrophobicContact CD1-CD1 4.32Å; I719-I853 HydrophobicContact CG2-CD1 3.46Å; I719-I853 VanDerWaalsContact CG2-CD1 3.46Å; L721-I853 HydrophobicContact CD2-CD1 3.86Å; L721-I853 HydrophobicContact CD2-CG1 4.31Å; V725-I853 HydrophobicContact CG2-CG2 4.34Å; W729-I853 PolarHBondContact NE1-O 3.27Å; I739-I853 HydrophobicContact CD1-CG2 4.48Å; I739-I853 HydrophobicContact CG2-CD1 4.36Å; I739-I853 HydrophobicContact CG2-CG1 3.7Å; D849-I853 WeakPolarHBondContact O-CD1 3.18Å; D849-I853 WeakPolarHBondContact O-CG1 3.25Å; D849-I853 PolarHBondContact O-N 2.88Å; N850-I853 PolarHBondContact O-N 2.71Å; I853-R855 PolarHBondContact O-N 2.84Å |
| 854 | M | 83.8 | Confident | 78.5 | Confident | 70 Ų | 70 | 45.1 Ų | 45.1 | 35% | 0.345 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -3.5 | 178 | -61.7 | -56.7 | -70.8 | 0 | 0 | 113 | V725 N850 I852 G856 E857 F861 | V725-M854 HydrophobicContact CG1-SD 3.99Å; N850-M854 WeakPolarHBondContact O-CB 3.47Å; N850-M854 VanDerWaalsContact O-CG 3.28Å; N850-M854 WeakPolarHBondContact O-CG 3.5Å; N850-M854 PolarHBondContact O-N 2.8Å; I852-M854 VanDerWaalsContact C-N 3.32Å; I852-M854 PolarHBondContact O-N 3.41Å; M854-G856 PolarHBondContact O-N 3.21Å; M854-E857 WeakPolarHBondContact O-CA 3.48Å; M854-E857 WeakPolarHBondContact O-CB 3.36Å; M854-E857 VanDerWaalsContact O-CG 3.29Å; M854-E857 WeakPolarHBondContact O-CG 3.37Å; M854-E857 PolarHBondContact O-N 3.32Å; M854-F861 HydrophobicContact CB-CD2 3.94Å; M854-F861 HydrophobicContact CB-CE2 4.42Å; M854-F861 HydrophobicContact CB-CG 4.29Å; M854-F861 HydrophobicContact CG-CD2 3.83Å; M854-F861 HydrophobicContact CG-CE2 3.79Å; M854-F861 HydrophobicContact CG-CG 4.45Å; M854-F861 HydrophobicContact CG-CZ 4.38Å |
| 855 | R | 78.1 | Confident | 77.4 | Confident | 11 Ų | 11 | 43.3 Ų | 43.3 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 34.8 | -178.5 | -60.8 | -178.6 | 167.2 | -165.5 | -2.8 | 113.7 | S728 W729 M851 I852 I853 E857 W1089 | S728-R855 PolarHBondContact O-NH1 2.97Å; S728-R855 PolarHBondContact O-NH2 3.28Å; W729-R855 HydrophobicContact CZ2-CG 3.84Å; M851-R855 PolarHBondContact O-N 2.73Å; I852-R855 WeakPolarHBondContact O-CA 3.31Å; I852-R855 PolarHBondContact O-N 3.37Å; I853-R855 PolarHBondContact O-N 2.84Å; R855-E857 HydrophobicContact CB-CG 4.34Å; R855-E857 PolarHBondContact O-N 3.31Å; R855-W1089 VanDerWaalsContact C-CZ2 3.41Å; R855-W1089 HydrophobicContact CB-CZ2 4.29Å |
| 856 | G | 71.3 | Confident | 76.1 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 20.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | M851 M854 F861 | M851-G856 PolarHBondContact O-N 3.18Å; M854-G856 PolarHBondContact O-N 3.21Å; G856-F861 WeakPolarHBondContact CA-O 3.48Å |
| 857 | E | 71.4 | Confident | 75 | Confident | 61 Ų | 61 | 50.4 Ų | 50.4 | 29% | 0.285 | 27% | 0.268 | S | S | . | . | trans | -87.3 | 136.6 | 173.6 | -50.3 | -173.3 | 177.2 | 0 | 0 | 110.4 | M854 R855 R1075 K1087 | M854-E857 WeakPolarHBondContact O-CA 3.48Å; M854-E857 WeakPolarHBondContact O-CB 3.36Å; M854-E857 VanDerWaalsContact O-CG 3.29Å; M854-E857 WeakPolarHBondContact O-CG 3.37Å; M854-E857 PolarHBondContact O-N 3.32Å; R855-E857 HydrophobicContact CB-CG 4.34Å; R855-E857 PolarHBondContact O-N 3.31Å; E857-R1075 VanDerWaalsContact CA-NH2 3.33Å; E857-K1087 IonicContact OE1-NZ 2.77Å; E857-K1087 PolarHBondContact OE1-NZ 2.76Å | ||
| 858 | G | 68.5 | Low | 74.2 | Confident | 39 Ų | 39 | 51.9 Ų | 51.9 | 40% | 0.402 | 28% | 0.279 | S | S | . | . | S | Bend | trans | 105.2 | 155.4 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 859 | E | 66.8 | Low | 73.9 | Confident | 130 Ų | 130 | 52.2 Ų | 52.2 | 61% | 0.607 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -66.6 | -38.4 | 177.1 | -73.8 | -80.7 | 143.8 | 0 | 0 | 111.2 | F861 R862 | E859-F861 PolarHBondContact O-N 3.21Å; E859-R862 IonicContact OE1-CZ 2.91Å; E859-R862 IonicContact OE1-NH1 2.68Å; E859-R862 PolarHBondContact OE1-NH1 3.44Å; E859-R862 IonicContact OE1-NH2 3.44Å; E859-R862 PolarHBondContact OE1-NH2 3.5Å; E859-R862 IonicContact OE2-CZ 3.79Å; E859-R862 IonicContact OE2-NH1 3.31Å; E859-R862 PolarHBondContact OE2-NH1 2.92Å; E859-R862 IonicContact OE2-NH2 3.7Å |
| 860 | D | 69.1 | Low | 73.6 | Confident | 131 Ų | 131 | 53 Ų | 53 | 70% | 0.701 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -22.1 | -173.8 | -57.5 | -37.8 | 0 | 0 | 0 | 114 | ||
| 861 | F | 69.3 | Low | 73.5 | Confident | 45 Ų | 45 | 50.8 Ų | 50.8 | 20% | 0.197 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | 17.6 | -175.7 | -57.6 | -66.7 | 0 | 0 | 0 | 113.2 | F847 N850 M851 M854 G856 E859 | F847-F861 HydrophobicContact CE2-CD1 4.16Å; N850-F861 HydrophobicContact CB-CD1 4.42Å; N850-F861 HydrophobicContact CB-CE1 3.63Å; N850-F861 HydrophobicContact CB-CZ 4.11Å; M851-F861 HydrophobicContact CB-CB 4.35Å; M851-F861 HydrophobicContact CB-CD1 4.12Å; M851-F861 HydrophobicContact CG-CB 4.14Å; M851-F861 WeakPolarHBondContact CG-O 3.23Å; M854-F861 HydrophobicContact CB-CD2 3.94Å; M854-F861 HydrophobicContact CB-CE2 4.42Å; M854-F861 HydrophobicContact CB-CG 4.29Å; M854-F861 HydrophobicContact CG-CD2 3.83Å; M854-F861 HydrophobicContact CG-CE2 3.79Å; M854-F861 HydrophobicContact CG-CG 4.45Å; M854-F861 HydrophobicContact CG-CZ 4.38Å; G856-F861 WeakPolarHBondContact CA-O 3.48Å; E859-F861 PolarHBondContact O-N 3.21Å |
| 862 | R | 67.3 | Low | 73.6 | Confident | 106 Ų | 106 | 51 Ų | 51 | 40% | 0.4 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -64.2 | 148.5 | 172.4 | -72.2 | -175.3 | 171 | 144 | 6.4 | 109.9 | E859 T864 | E859-R862 IonicContact OE1-CZ 2.91Å; E859-R862 IonicContact OE1-NH1 2.68Å; E859-R862 PolarHBondContact OE1-NH1 3.44Å; E859-R862 IonicContact OE1-NH2 3.44Å; E859-R862 PolarHBondContact OE1-NH2 3.5Å; E859-R862 IonicContact OE2-CZ 3.79Å; E859-R862 IonicContact OE2-NH1 3.31Å; E859-R862 PolarHBondContact OE2-NH1 2.92Å; E859-R862 IonicContact OE2-NH2 3.7Å; R862-T864 PolarHBondContact O-N 3.37Å |
| 863 | L | 66.3 | Low | 73.6 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | trans | -64.1 | 84 | 169.4 | -61.5 | 173.5 | 0 | 0 | 0 | 109.6 | M851 L867 C869 Q1091 R1109 V1111 | M851-L863 HydrophobicContact CE-CD2 4.04Å; M851-L863 HydrophobicContact SD-CD2 3.73Å; L863-L867 HydrophobicContact CD2-CD1 4.42Å; L863-C869 HydrophobicContact CD2-CB 4.43Å; L863-Q1091 HydrophobicContact CD1-CB 4.43Å; L863-Q1091 HydrophobicContact CD1-CG 4.01Å; L863-R1109 HydrophobicContact CD1-CB 4.04Å; L863-V1111 HydrophobicContact CD2-CG2 3.53Å | ||
| 864 | T | 62.3 | Low | 73.9 | Confident | 63 Ų | 63 | 51.2 Ų | 51.2 | 39% | 0.387 | 28% | 0.275 | S | S | . | . | trans | -75.9 | 167.9 | 174.8 | 59.3 | 0 | 0 | 0 | 0 | 110 | R862 E866 | R862-T864 PolarHBondContact O-N 3.37Å; T864-E866 PolarHBondContact O-N 3.18Å; T864-E866 VanDerWaalsContact O-N 3.1Å | ||
| 865 | G | 60.3 | Low | 74.3 | Confident | 58 Ų | 58 | 47.9 Ų | 47.9 | 60% | 0.598 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | 2.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 866 | E | 60.1 | Low | 75.1 | Confident | 184 Ų | 184 | 47.6 Ų | 47.6 | 86% | 0.86 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -14.9 | -179.1 | -65.9 | 179.7 | 179.6 | 0 | 0 | 113.2 | T864 | T864-E866 PolarHBondContact O-N 3.18Å; T864-E866 VanDerWaalsContact O-N 3.1Å |
| 867 | L | 66.6 | Low | 76.1 | Confident | 29 Ų | 29 | 47.4 Ų | 47.4 | 15% | 0.152 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -86.7 | 123.8 | 177.2 | -82.5 | 152.7 | 0 | 0 | 0 | 110.8 | F847 L848 M851 L863 C869 | F847-L867 HydrophobicContact CD1-CD1 4.46Å; F847-L867 HydrophobicContact CD1-CD2 4.2Å; F847-L867 HydrophobicContact CD1-CG 4.46Å; F847-L867 HydrophobicContact CE1-CD1 3.55Å; F847-L867 HydrophobicContact CE1-CD2 4.07Å; F847-L867 HydrophobicContact CE1-CG 3.88Å; F847-L867 HydrophobicContact CZ-CD1 4.27Å; L848-L867 HydrophobicContact CD1-CD2 4.25Å; M851-L867 HydrophobicContact CE-CD1 4.42Å; M851-L867 HydrophobicContact CE-CD2 4.48Å; M851-L867 HydrophobicContact SD-CD1 3.45Å; M851-L867 WeakPolarHBondContact SD-CD1 3.46Å; M851-L867 HydrophobicContact SD-CD2 4.39Å; L863-L867 HydrophobicContact CD2-CD1 4.42Å; L867-C869 PolarHBondContact O-N 2.85Å |
| 868 | D | 70.4 | Confident | 77 | Confident | 90 Ų | 90 | 45.4 Ų | 45.4 | 48% | 0.481 | 25% | 0.248 | S | C | . | . | trans | -66.6 | 98.2 | 162.9 | -70.2 | -41.1 | 0 | 0 | 0 | 109.1 | Y327 R750 | Y327-D868 HydrophobicContact CE2-CB 4.29Å; Y327-D868 WeakPolarHBondContact CE2-OD1 3.33Å; Y327-D868 PolarHBondContact OH-OD1 3.39Å; Y327-D868 VanDerWaalsContact OH-OD1 3.06Å; R750-D868 PolarHBondContact NH2-O 2.81Å | ||
| 869 | C | 78.9 | Confident | 77.9 | Confident | 8 Ų | 8 | 44.8 Ų | 44.8 | 5% | 0.054 | 23% | 0.234 | C | C | . | . | trans | -121.5 | 159 | 176.6 | 59.5 | 0 | 0 | 0 | 0 | 109.7 | L863 L867 E871 W1110 V1111 | L863-C869 HydrophobicContact CD2-CB 4.43Å; L867-C869 PolarHBondContact O-N 2.85Å; C869-E871 PolarHBondContact O-N 3.23Å; C869-W1110 WeakPolarHBondContact CB-O 3.24Å; C869-V1111 HydrophobicContact CB-CG2 3.57Å | ||
| 870 | F | 85.5 | Confident | 78.9 | Confident | 16 Ų | 16 | 40.9 Ų | 40.9 | 7% | 0.07 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 132.7 | 178.1 | -64 | -64.5 | 0 | 0 | 0 | 109.8 | Y327 R1109 W1110 | Y327-F870 WeakPolarHBondContact O-CA 3.39Å; F870-R1109 VanDerWaalsContact O-CA 3.26Å; F870-R1109 WeakPolarHBondContact O-CA 3.43Å; F870-W1110 HydrophobicContact CB-CD2 3.78Å; F870-W1110 VanDerWaalsContact CB-CE2 3.4Å; F870-W1110 HydrophobicContact CB-CE3 4.22Å; F870-W1110 HydrophobicContact CB-CG 4.29Å; F870-W1110 HydrophobicContact CB-CH2 3.98Å; F870-W1110 HydrophobicContact CB-CZ2 3.54Å; F870-W1110 HydrophobicContact CB-CZ3 4.3Å; F870-W1110 AromaticContact CD2-CD1 3.95Å; F870-W1110 AromaticContact CD2-NE1 3.61Å; F870-W1110 HydrophobicContact CG-CZ2 4.23Å; F870-W1110 AromaticContact CG-NE1 3.91Å; F870-W1110 PolarHBondContact N-O 2.78Å; F870-W1110 PolarHBondContact O-N 2.63Å; F870-W1110 VanDerWaalsContact O-N 3.08Å |
| 871 | E | 85.8 | Confident | 79.6 | Confident | 11 Ų | 11 | 37.9 Ų | 37.9 | 5% | 0.051 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 136.9 | -178 | -174.6 | 164.9 | -179.2 | 0 | 0 | 112.4 | Y327 L328 N329 C869 R1093 M1108 R1109 I1141 | Y327-E871 PolarHBondContact O-N 3.49Å; L328-E871 HydrophobicContact CD2-CB 4.36Å; N329-E871 PolarHBondContact N-O 2.94Å; C869-E871 PolarHBondContact O-N 3.23Å; E871-R1093 IonicContact OE1-CZ 2.8Å; E871-R1093 IonicContact OE1-NH2 3.21Å; E871-R1093 PolarHBondContact OE1-NH2 3.39Å; E871-R1093 IonicContact OE2-NH2 2.99Å; E871-M1108 WeakPolarHBondContact CA-O 3.42Å; E871-R1109 HydrophobicContact CB-CG 4.31Å; E871-R1109 HydrophobicContact CG-CG 4.11Å; E871-R1109 IonicContact OE1-NE 2.71Å; E871-R1109 IonicContact OE1-NH2 2.88Å; E871-R1109 IonicContact OE2-CZ 3.38Å; E871-R1109 IonicContact OE2-NE 3.8Å; E871-R1109 PolarHBondContact OE2-NE 2.91Å; E871-R1109 IonicContact OE2-NH2 3.75Å; E871-R1109 PolarHBondContact OE2-NH2 3.49Å; E871-I1141 HydrophobicContact CB-CD1 4.27Å; E871-I1141 HydrophobicContact CG-CD1 3.98Å |
| 872 | C | 88 | Confident | 80.3 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.034 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 147.5 | 168.6 | 59.7 | 0 | 0 | 0 | 0 | 111.2 | F874 S1107 M1108 | C872-F874 HydrophobicContact CB-CE2 4.04Å; C872-F874 HydrophobicContact CB-CZ 4.25Å; C872-F874 WeakPolarHBondContact SG-CE2 3.49Å; C872-S1107 CarbonylContact O-C 3.54Å; C872-S1107 WeakPolarHBondContact O-CA 3.4Å; C872-M1108 PolarHBondContact N-O 3.06Å; C872-M1108 VanDerWaalsContact N-O 3.14Å; C872-M1108 PolarHBondContact O-N 3.18Å |
| 873 | R | 88.9 | Confident | 81.2 | Confident | 9 Ų | 9 | 33.4 Ų | 33.4 | 3% | 0.034 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 135.7 | -175.6 | -179.9 | 178.2 | -178.4 | -142.1 | -2.9 | 110.1 | E1105 P1138 V1139 P1140 I1141 N1194 C1195 | R873-E1105 HydrophobicContact CG-CG 4.26Å; R873-E1105 IonicContact CZ-OE2 2.8Å; R873-E1105 VanDerWaalsContact NE-CD 3.28Å; R873-E1105 IonicContact NE-OE1 2.72Å; R873-E1105 IonicContact NE-OE2 2.68Å; R873-E1105 PolarHBondContact NE-OE2 2.61Å; R873-E1105 IonicContact NH2-OE2 3.04Å; R873-E1105 PolarHBondContact NH2-OE2 2.75Å; R873-P1138 WeakPolarHBondContact O-CA 3.32Å; R873-V1139 PolarHBondContact O-N 3.35Å; R873-P1140 PolarHBondContact NH1-O 2.88Å; R873-I1141 HydrophobicContact CB-CG1 4.46Å; R873-I1141 PolarHBondContact NH1-O 3.19Å; R873-N1194 PolarHBondContact NH2-O 3.03Å; R873-C1195 VanDerWaalsContact NH2-CA 3.34Å |
| 874 | F | 92.9 | Very high | 82.2 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.009 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 149.8 | 179 | -57 | -89.4 | 0 | 0 | 0 | 111.1 | C872 E1105 I1106 M1108 V1122 L1136 V1137 P1138 | C872-F874 HydrophobicContact CB-CE2 4.04Å; C872-F874 HydrophobicContact CB-CZ 4.25Å; C872-F874 WeakPolarHBondContact SG-CE2 3.49Å; F874-E1105 WeakPolarHBondContact O-CA 3.43Å; F874-I1106 HydrophobicContact CB-CB 4.49Å; F874-I1106 PolarHBondContact N-O 3.14Å; F874-I1106 PolarHBondContact O-N 3.46Å; F874-M1108 HydrophobicContact CE2-CG 4.32Å; F874-M1108 HydrophobicContact CE2-SD 3.92Å; F874-V1122 HydrophobicContact CD1-CG1 4.27Å; F874-V1122 HydrophobicContact CE1-CG1 3.37Å; F874-V1122 HydrophobicContact CE2-CG1 4.17Å; F874-V1122 HydrophobicContact CE2-CG2 4.26Å; F874-V1122 HydrophobicContact CZ-CB 4.31Å; F874-V1122 HydrophobicContact CZ-CG1 3.33Å; F874-V1122 HydrophobicContact CZ-CG2 4.01Å; F874-L1136 HydrophobicContact CB-CD1 3.72Å; F874-L1136 HydrophobicContact CB-CG 4.17Å; F874-L1136 HydrophobicContact CD1-CG 4.42Å; F874-L1136 HydrophobicContact CG-CD1 4.46Å; F874-L1136 HydrophobicContact CG-CG 4.49Å; F874-V1137 CarbonylContact C-O 2.84Å; F874-V1137 VanDerWaalsContact CA-O 3.23Å; F874-V1137 WeakPolarHBondContact CA-O 3.25Å; F874-P1138 HydrophobicContact CD1-CB 3.88Å; F874-P1138 HydrophobicContact CE1-CB 3.73Å |
| 875 | M | 92.9 | Very high | 83.3 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 126.8 | 170.9 | -71.6 | -65.7 | 173.3 | 0 | 0 | 109.6 | V877 A1103 E1105 L1136 V1137 V1139 M1193 I1205 | M875-V877 HydrophobicContact CB-CG1 4.31Å; M875-A1103 HydrophobicContact SD-CB 3.98Å; M875-E1105 HydrophobicContact CE-CB 3.91Å; M875-E1105 HydrophobicContact CE-CG 3.96Å; M875-E1105 WeakPolarHBondContact CE-OE2 3.48Å; M875-E1105 HydrophobicContact SD-CB 3.97Å; M875-E1105 HydrophobicContact SD-CG 4.42Å; M875-L1136 WeakPolarHBondContact O-CA 3.35Å; M875-V1137 HydrophobicContact CB-CG2 4.34Å; M875-V1137 PolarHBondContact N-O 2.97Å; M875-V1137 PolarHBondContact O-N 3.09Å; M875-V1139 HydrophobicContact CB-CG2 3.95Å; M875-V1139 HydrophobicContact CG-CB 4.37Å; M875-V1139 HydrophobicContact CG-CG2 3.66Å; M875-M1193 HydrophobicContact CE-CB 4.07Å; M875-M1193 HydrophobicContact CE-SD 4.22Å; M875-M1193 HydrophobicContact SD-CB 4.26Å; M875-I1205 HydrophobicContact CB-CD1 3.84Å; M875-I1205 HydrophobicContact CG-CD1 4.22Å |
| 876 | L | 94.8 | Very high | 84.5 | Confident | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 113.4 | 171.2 | -174.1 | 72.2 | 0 | 0 | 0 | 108.8 | F916 F919 Y1104 L1134 N1135 L1136 | L876-F916 HydrophobicContact CD2-CD2 4.01Å; L876-F916 HydrophobicContact CD2-CE2 4.22Å; L876-F919 HydrophobicContact CD1-CD1 4.27Å; L876-F919 HydrophobicContact CD1-CD2 4.05Å; L876-F919 HydrophobicContact CD1-CE1 4.23Å; L876-F919 HydrophobicContact CD1-CE2 3.99Å; L876-F919 HydrophobicContact CD1-CG 4.18Å; L876-F919 HydrophobicContact CD1-CZ 4.08Å; L876-F919 HydrophobicContact CD2-CB 4.41Å; L876-F919 HydrophobicContact CD2-CD1 3.44Å; L876-F919 VanDerWaalsContact CD2-CD1 3.44Å; L876-F919 HydrophobicContact CD2-CE1 3.79Å; L876-F919 HydrophobicContact CD2-CG 3.88Å; L876-F919 HydrophobicContact CD2-CZ 4.47Å; L876-Y1104 PolarHBondContact N-O 3.47Å; L876-Y1104 PolarHBondContact O-N 2.71Å; L876-Y1104 VanDerWaalsContact O-N 3.08Å; L876-L1134 HydrophobicContact CD1-CB 3.85Å; L876-L1134 HydrophobicContact CD1-CD1 4.21Å; L876-L1134 HydrophobicContact CD2-CD1 3.95Å; L876-L1134 HydrophobicContact CG-CB 4.37Å; L876-L1134 HydrophobicContact CG-CD1 4.13Å; L876-N1135 WeakPolarHBondContact CA-O 3.27Å; L876-L1136 HydrophobicContact CB-CD1 4.18Å; L876-L1136 HydrophobicContact CD1-CB 4Å; L876-L1136 HydrophobicContact CD1-CD1 4.22Å |
| 877 | V | 92.5 | Very high | 85.9 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 143.8 | -176 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | M875 A1103 L1134 N1135 L1191 I1205 | M875-V877 HydrophobicContact CB-CG1 4.31Å; V877-A1103 HydrophobicContact CG1-CB 3.77Å; V877-L1134 CarbonylContact O-C 3.56Å; V877-N1135 HydrophobicContact CG2-CB 4.02Å; V877-N1135 PolarHBondContact N-O 3.11Å; V877-N1135 PolarHBondContact O-N 2.95Å; V877-L1191 HydrophobicContact CB-CD2 4.35Å; V877-L1191 HydrophobicContact CG1-CD2 4.23Å; V877-I1205 HydrophobicContact CG1-CD1 4.36Å; V877-I1205 HydrophobicContact CG1-CG1 4.5Å; V877-I1205 HydrophobicContact CG1-CG2 3.67Å |
| 878 | P | 90.1 | Very high | 86.7 | Confident | 19 Ų | 19 | 28.8 Ų | 28.8 | 12% | 0.123 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 131.9 | 167.5 | 15.9 | -6.8 | 0 | 0 | 0 | 110.5 | R900 L1134 L1191 S1207 | P878-R900 PolarHBondContact O-NH2 2.88Å; P878-L1134 HydrophobicContact CB-CD2 3.97Å; P878-L1191 HydrophobicContact CG-CD2 4.48Å; P878-S1207 WeakPolarHBondContact O-CB 3.43Å |
| 879 | F | 87.7 | Confident | 87.4 | Confident | 26 Ų | 26 | 31 Ų | 31 | 11% | 0.114 | 16% | 0.158 | C | C | . | . | trans | -100.4 | 154 | 175.6 | 67.3 | -91.5 | 0 | 0 | 0 | 111.9 | Q881 I1130 L1134 N1135 V1239 | F879-Q881 HydrophobicContact CD2-CB 4.15Å; F879-Q881 HydrophobicContact CE2-CB 4.01Å; F879-I1130 HydrophobicContact CZ-CG2 4.41Å; F879-L1134 WeakPolarHBondContact CE1-O 3.07Å; F879-N1135 HydrophobicContact CD1-CB 4.07Å; F879-V1239 HydrophobicContact CB-CG1 4.03Å; F879-V1239 HydrophobicContact CD1-CG1 3.9Å; F879-V1239 HydrophobicContact CD2-CG1 4.17Å; F879-V1239 HydrophobicContact CD2-CG2 4.12Å; F879-V1239 HydrophobicContact CE1-CG1 4.36Å; F879-V1239 HydrophobicContact CE1-CG2 4.38Å; F879-V1239 HydrophobicContact CE2-CG2 3.89Å; F879-V1239 HydrophobicContact CG-CG1 3.79Å; F879-V1239 HydrophobicContact CG-CG2 4.49Å; F879-V1239 HydrophobicContact CZ-CG2 4.03Å | ||
| 880 | D | 86.2 | Confident | 87.5 | Confident | 48 Ų | 48 | 32.7 Ų | 32.7 | 26% | 0.257 | 17% | 0.17 | S | C | . | . | trans | -115.9 | 90.8 | 173.8 | -171.8 | -18.3 | 0 | 0 | 0 | 109.9 | C882 A883 N884 Y898 | D880-C882 PolarHBondContact O-N 3.28Å; D880-C882 WeakPolarHBondContact OD1-CB 3.14Å; D880-C882 PolarHBondContact OD1-N 2.95Å; D880-C882 VanDerWaalsContact OD1-N 3.12Å; D880-A883 HydrophobicContact CB-CB 3.94Å; D880-A883 PolarHBondContact O-N 3.36Å; D880-A883 PolarHBondContact OD1-N 2.81Å; D880-N884 VanDerWaalsContact O-CG 3.25Å; D880-N884 PolarHBondContact O-N 3.43Å; D880-N884 PolarHBondContact O-OD1 3.14Å; D880-Y898 HydrophobicContact CB-CD1 4.13Å; D880-Y898 HydrophobicContact CB-CE1 4.29Å | ||
| 881 | Q | 84.2 | Confident | 87.2 | Confident | 68 Ų | 68 | 41.3 Ų | 41.3 | 32% | 0.318 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.4 | -35.1 | -179.7 | -178 | 173.1 | -4.3 | 0 | 0 | 112.5 | F879 N884 E885 | F879-Q881 HydrophobicContact CD2-CB 4.15Å; F879-Q881 HydrophobicContact CE2-CB 4.01Å; Q881-N884 PolarHBondContact O-N 3.13Å; Q881-E885 HydrophobicContact CG-CG 4.28Å; Q881-E885 WeakPolarHBondContact CG-OE1 3.38Å; Q881-E885 PolarHBondContact NE2-OE1 3.1Å; Q881-E885 WeakPolarHBondContact O-CB 3.39Å; Q881-E885 WeakPolarHBondContact O-CG 3.38Å; Q881-E885 PolarHBondContact O-N 3.01Å |
| 882 | C | 84.3 | Confident | 86.9 | Confident | 53 Ų | 53 | 43.4 Ų | 43.4 | 36% | 0.358 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68.4 | -39 | -179.4 | -177 | 0 | 0 | 0 | 0 | 111.3 | D880 K886 | D880-C882 PolarHBondContact O-N 3.28Å; D880-C882 WeakPolarHBondContact OD1-CB 3.14Å; D880-C882 PolarHBondContact OD1-N 2.95Å; D880-C882 VanDerWaalsContact OD1-N 3.12Å; C882-K886 WeakPolarHBondContact O-CB 3.43Å; C882-K886 VanDerWaalsContact O-CG 3.24Å; C882-K886 WeakPolarHBondContact O-CG 3.23Å; C882-K886 PolarHBondContact O-N 3.02Å |
| 883 | A | 85.8 | Confident | 86.3 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 3% | 0.033 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.2 | -44.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D880 E885 K886 I887 Y898 | D880-A883 HydrophobicContact CB-CB 3.94Å; D880-A883 PolarHBondContact O-N 3.36Å; D880-A883 PolarHBondContact OD1-N 2.81Å; A883-E885 PolarHBondContact O-N 3.24Å; A883-K886 WeakPolarHBondContact O-CB 3.26Å; A883-K886 PolarHBondContact O-N 3.48Å; A883-I887 WeakPolarHBondContact O-CG1 3.27Å; A883-I887 PolarHBondContact O-N 3.48Å; A883-Y898 HydrophobicContact CB-CD1 3.61Å; A883-Y898 HydrophobicContact CB-CE1 3.49Å; A883-Y898 VanDerWaalsContact CB-CE1 3.49Å; A883-Y898 HydrophobicContact CB-CG 4.21Å |
| 884 | N | 88.2 | Confident | 86.2 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.5 | -50.7 | 177.3 | -69 | -6.5 | 0 | 0 | 0 | 112 | D880 Q881 K886 I887 L888 Y898 Q1238 V1239 F1245 | D880-N884 VanDerWaalsContact O-CG 3.25Å; D880-N884 PolarHBondContact O-N 3.43Å; D880-N884 PolarHBondContact O-OD1 3.14Å; Q881-N884 PolarHBondContact O-N 3.13Å; N884-K886 VanDerWaalsContact C-N 3.3Å; N884-K886 PolarHBondContact O-N 3.43Å; N884-I887 PolarHBondContact O-N 2.91Å; N884-I887 VanDerWaalsContact O-N 3.15Å; N884-L888 WeakPolarHBondContact O-CB 3.23Å; N884-L888 WeakPolarHBondContact O-CG 3.25Å; N884-L888 PolarHBondContact O-N 3.21Å; N884-Y898 PolarHBondContact OD1-OH 3.3Å; N884-Y898 VanDerWaalsContact OD1-OH 3.12Å; N884-Q1238 PolarHBondContact ND2-O 2.66Å; N884-Q1238 VanDerWaalsContact ND2-O 3.09Å; N884-V1239 PolarHBondContact ND2-O 3.23Å; N884-F1245 HydrophobicContact CB-CE2 4.46Å |
| 885 | E | 85.4 | Confident | 86.1 | Confident | 77 Ų | 77 | 52.5 Ų | 52.5 | 36% | 0.36 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.5 | -38.6 | 179.3 | -75.6 | 173.4 | -175.7 | 0 | 0 | 112 | Q881 A883 N889 | Q881-E885 HydrophobicContact CG-CG 4.28Å; Q881-E885 WeakPolarHBondContact CG-OE1 3.38Å; Q881-E885 PolarHBondContact NE2-OE1 3.1Å; Q881-E885 WeakPolarHBondContact O-CB 3.39Å; Q881-E885 WeakPolarHBondContact O-CG 3.38Å; Q881-E885 PolarHBondContact O-N 3.01Å; A883-E885 PolarHBondContact O-N 3.24Å; E885-N889 VanDerWaalsContact O-CB 3.3Å; E885-N889 WeakPolarHBondContact O-CB 3.28Å; E885-N889 PolarHBondContact O-N 3.06Å; E885-N889 PolarHBondContact O-ND2 3.08Å |
| 886 | K | 85.9 | Confident | 85.9 | Confident | 122 Ų | 122 | 53.9 Ų | 53.9 | 53% | 0.53 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 173.8 | -77.8 | 172.5 | -176.8 | 176.9 | 0 | 111.3 | C882 A883 N884 S890 | C882-K886 WeakPolarHBondContact O-CB 3.43Å; C882-K886 VanDerWaalsContact O-CG 3.24Å; C882-K886 WeakPolarHBondContact O-CG 3.23Å; C882-K886 PolarHBondContact O-N 3.02Å; A883-K886 WeakPolarHBondContact O-CB 3.26Å; A883-K886 PolarHBondContact O-N 3.48Å; N884-K886 VanDerWaalsContact C-N 3.3Å; N884-K886 PolarHBondContact O-N 3.43Å; K886-S890 WeakPolarHBondContact O-CB 3.48Å; K886-S890 PolarHBondContact O-N 2.91Å |
| 887 | I | 87.9 | Confident | 85.4 | Confident | 6 Ų | 6 | 55.4 Ų | 55.4 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.4 | -40.3 | -178.8 | -66.6 | 166.4 | 0 | 0 | 0 | 111.5 | A883 N884 C895 Y898 F1245 K1248 I1249 | A883-I887 WeakPolarHBondContact O-CG1 3.27Å; A883-I887 PolarHBondContact O-N 3.48Å; N884-I887 PolarHBondContact O-N 2.91Å; N884-I887 VanDerWaalsContact O-N 3.15Å; I887-C895 HydrophobicContact CD1-CB 4.09Å; I887-C895 HydrophobicContact CG1-CB 4.42Å; I887-Y898 HydrophobicContact CD1-CE2 3.55Å; I887-Y898 WeakPolarHBondContact CD1-OH 3.4Å; I887-F1245 HydrophobicContact CB-CD2 4.22Å; I887-F1245 HydrophobicContact CB-CE2 4.02Å; I887-F1245 HydrophobicContact CD1-CE2 4.21Å; I887-F1245 HydrophobicContact CG2-CD2 3.73Å; I887-F1245 HydrophobicContact CG2-CE2 3.87Å; I887-K1248 HydrophobicContact CG2-CD 4.48Å; I887-K1248 PolarHBondContact O-NZ 2.72Å; I887-I1249 HydrophobicContact CD1-CD1 4.46Å |
| 888 | L | 84.9 | Confident | 85.1 | Confident | 36 Ų | 36 | 55.6 Ų | 55.6 | 19% | 0.188 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.6 | -50.9 | 179 | -78 | 165.4 | 0 | 0 | 0 | 111.7 | N884 Q1237 F1245 | N884-L888 WeakPolarHBondContact O-CB 3.23Å; N884-L888 WeakPolarHBondContact O-CG 3.25Å; N884-L888 PolarHBondContact O-N 3.21Å; L888-Q1237 WeakPolarHBondContact CD1-O 3.48Å; L888-F1245 HydrophobicContact CD2-CB 3.76Å; L888-F1245 HydrophobicContact CD2-CD2 4.18Å; L888-F1245 HydrophobicContact CD2-CG 4.31Å; L888-F1245 HydrophobicContact CG-CD2 4.02Å |
| 889 | N | 85 | Confident | 84 | Confident | 137 Ų | 137 | 59.6 Ų | 59.6 | 73% | 0.733 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -86.7 | -12.4 | -172.7 | -62.4 | -29 | 0 | 0 | 0 | 113.8 | E885 | E885-N889 VanDerWaalsContact O-CB 3.3Å; E885-N889 WeakPolarHBondContact O-CB 3.28Å; E885-N889 PolarHBondContact O-N 3.06Å; E885-N889 PolarHBondContact O-ND2 3.08Å |
| 890 | S | 80.9 | Confident | 82.7 | Confident | 42 Ų | 42 | 61.7 Ų | 61.7 | 29% | 0.294 | 31% | 0.311 | S | S | . | . | trans | -86.6 | 137.9 | -178.4 | 174.1 | 0 | 0 | 0 | 0 | 111.9 | K886 S892 K1248 | K886-S890 WeakPolarHBondContact O-CB 3.48Å; K886-S890 PolarHBondContact O-N 2.91Å; S890-S892 VanDerWaalsContact C-N 3.29Å; S890-S892 WeakPolarHBondContact OG-CA 3.38Å; S890-S892 WeakPolarHBondContact OG-CB 3.45Å; S890-S892 PolarHBondContact OG-N 3.03Å; S890-K1248 PolarHBondContact O-NZ 3.24Å | ||
| 891 | E | 79.6 | Confident | 81.1 | Confident | 198 Ų | 198 | 62.5 Ų | 62.5 | 93% | 0.925 | 33% | 0.325 | S | S | * | . | trans | -76.8 | -17.1 | 165.1 | -64 | -174.4 | 173.3 | 0 | 0 | 112.4 | ||||
| 892 | S | 78.5 | Confident | 79.4 | Confident | 54 Ų | 54 | 66.7 Ų | 66.7 | 38% | 0.378 | 34% | 0.342 | S | S | . | . | trans | -54.7 | 132 | 174 | 178.7 | 0 | 0 | 0 | 0 | 110.3 | S890 R894 | S890-S892 VanDerWaalsContact C-N 3.29Å; S890-S892 WeakPolarHBondContact OG-CA 3.38Å; S890-S892 WeakPolarHBondContact OG-CB 3.45Å; S890-S892 PolarHBondContact OG-N 3.03Å; S892-R894 PolarHBondContact O-N 3.45Å; S892-R894 PolarHBondContact OG-N 2.81Å | ||
| 893 | P | 75.6 | Confident | 77.5 | Confident | 76 Ų | 76 | 72.5 Ų | 72.5 | 49% | 0.494 | 36% | 0.356 | S | S | . | . | trans | -72.4 | -9 | 174.7 | 30.5 | -35 | 0 | 0 | 0 | 112.9 | D1252 | P893-D1252 WeakPolarHBondContact O-CB 3.3Å; P893-D1252 VanDerWaalsContact O-CG 3.29Å | ||
| 894 | R | 87.5 | Confident | 75.8 | Confident | 129 Ų | 129 | 78.2 Ų | 78.2 | 49% | 0.487 | 39% | 0.386 | S | S | . | . | trans | -86.3 | 127.4 | -171.7 | -59.9 | -176 | -179.7 | 176.7 | 0.1 | 112.6 | S892 E1261 | S892-R894 PolarHBondContact O-N 3.45Å; S892-R894 PolarHBondContact OG-N 2.81Å; R894-E1261 IonicContact CZ-OE2 3.2Å; R894-E1261 IonicContact NE-OE2 2.84Å; R894-E1261 IonicContact NH2-OE2 2.68Å; R894-E1261 PolarHBondContact NH2-OE2 3.36Å | ||
| 895 | C | 90.6 | Very high | 74.4 | Confident | 2 Ų | 2 | 85.7 Ų | 85.7 | 1% | 0.014 | 42% | 0.421 | C | S | . | . | trans | -114.6 | -2.6 | -178.3 | -61.8 | 0 | 0 | 0 | 0 | 113.8 | I887 C897 F1188 I1249 D1252 | I887-C895 HydrophobicContact CD1-CB 4.09Å; I887-C895 HydrophobicContact CG1-CB 4.42Å; C895-C897 PolarHBondContact O-N 2.97Å; C895-F1188 HydrophobicContact CB-CD1 4.34Å; C895-F1188 HydrophobicContact CB-CE1 4.18Å; C895-I1249 HydrophobicContact CB-CG1 4.07Å; C895-D1252 HydrophobicContact CB-CB 4.06Å; C895-D1252 PolarHBondContact N-OD2 2.8Å | ||
| 896 | D | 87.9 | Confident | 73.1 | Confident | 29 Ų | 29 | 90 Ų | 90 | 16% | 0.155 | 44% | 0.441 | C | S | . | . | trans | -77.1 | 47.8 | -177.9 | 72.8 | -60.3 | 0 | 0 | 0 | 114.2 | R1187 F1188 R1263 | D896-R1187 CarbonylContact C-O 3.51Å; D896-R1187 WeakPolarHBondContact CA-O 3.46Å; D896-R1187 HydrophobicContact CB-CB 4.43Å; D896-R1187 PolarHBondContact O-NH1 3.48Å; D896-R1187 PolarHBondContact O-NH2 2.97Å; D896-R1187 IonicContact OD2-CZ 3.22Å; D896-R1187 IonicContact OD2-NH2 3.96Å; D896-R1187 PolarHBondContact OD2-NH2 3.04Å; D896-F1188 HydrophobicContact CB-CD2 4.39Å; D896-F1188 HydrophobicContact CB-CE1 4.36Å; D896-F1188 HydrophobicContact CB-CE2 3.94Å; D896-F1188 HydrophobicContact CB-CZ 3.93Å; D896-R1263 IonicContact OD1-CZ 3.53Å; D896-R1263 IonicContact OD1-NH2 2.84Å; D896-R1263 PolarHBondContact OD1-NH2 3.36Å | ||
| 897 | C | 85.5 | Confident | 71.6 | Confident | 37 Ų | 37 | 89.5 Ų | 89.5 | 25% | 0.25 | 44% | 0.444 | C | S | . | . | trans | -109.2 | 5.7 | -172.8 | 72.5 | 0 | 0 | 0 | 0 | 115 | C895 F899 | C895-C897 PolarHBondContact O-N 2.97Å; C897-F899 WeakPolarHBondContact O-CD2 3.43Å; C897-F899 PolarHBondContact O-N 3.29Å | ||
| 898 | Y | 84.6 | Confident | 71 | Confident | 5 Ų | 5 | 91.4 Ų | 91.4 | 2% | 0.02 | 46% | 0.458 | C | S | . | . | trans | -80.4 | 109.9 | 174.9 | -60.2 | -94.9 | 0 | 0 | 0 | 108.7 | D880 A883 N884 I887 R1187 H1206 | D880-Y898 HydrophobicContact CB-CD1 4.13Å; D880-Y898 HydrophobicContact CB-CE1 4.29Å; A883-Y898 HydrophobicContact CB-CD1 3.61Å; A883-Y898 HydrophobicContact CB-CE1 3.49Å; A883-Y898 VanDerWaalsContact CB-CE1 3.49Å; A883-Y898 HydrophobicContact CB-CG 4.21Å; N884-Y898 PolarHBondContact OD1-OH 3.3Å; N884-Y898 VanDerWaalsContact OD1-OH 3.12Å; I887-Y898 HydrophobicContact CD1-CE2 3.55Å; I887-Y898 WeakPolarHBondContact CD1-OH 3.4Å; Y898-R1187 PolarHBondContact N-O 3.36Å; Y898-H1206 AromaticContact CE1-NE2 3.97Å; Y898-H1206 AromaticContact CE2-NE2 3.8Å; Y898-H1206 AromaticContact CZ-CE1 3.85Å; Y898-H1206 AromaticContact CZ-NE2 3.43Å; Y898-H1206 PolarHBondContact OH-CE1 2.91Å; Y898-H1206 PolarHBondContact OH-NE2 3.43Å | ||
| 899 | F | 66.8 | Low | 70.9 | Confident | 103 Ų | 103 | 91.7 Ų | 91.7 | 45% | 0.452 | 46% | 0.457 | S | S | . | . | trans | -117 | 80.7 | 179.4 | -64.3 | -91.4 | 0 | 0 | 0 | 109.6 | C897 | C897-F899 WeakPolarHBondContact O-CD2 3.43Å; C897-F899 PolarHBondContact O-N 3.29Å | ||
| 900 | R | 61.1 | Low | 70.8 | Confident | 69 Ų | 69 | 87 Ų | 87 | 26% | 0.26 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -68.5 | -34 | 177.3 | -78.3 | -174.6 | 167.6 | -179.5 | 1.1 | 113 | P878 K902 | P878-R900 PolarHBondContact O-NH2 2.88Å; R900-K902 PolarHBondContact O-N 3.22Å |
| 901 | A | 52.2 | Low | 71.1 | Confident | 66 Ų | 66 | 88.5 Ų | 88.5 | 55% | 0.545 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -80.6 | 0.6 | -168.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 902 | K | 48.4 | Very low | 71.4 | Confident | 156 Ų | 156 | 80.1 Ų | 80.1 | 68% | 0.678 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -119.5 | -6.5 | -163.6 | -79.5 | -164.7 | 175.1 | -165.9 | 0 | 119.2 | R900 | R900-K902 PolarHBondContact O-N 3.22Š|
| 903 | R | 45.6 | Very low | 72 | Confident | 175 Ų | 175 | 77.6 Ų | 77.6 | 66% | 0.66 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -101.2 | 108.6 | 177 | -63.3 | -172.9 | -160.9 | 174.4 | 10.1 | 108.6 | E905 S908 | R903-E905 PolarHBondContact O-N 3.18Å; R903-S908 WeakPolarHBondContact O-CB 3.44Å |
| 904 | N | 49.4 | Very low | 72.8 | Confident | 123 Ų | 123 | 76 Ų | 76 | 66% | 0.658 | 37% | 0.37 | S | S | * | . | trans | 26.3 | 83.9 | 174.6 | -66.9 | -8.5 | 0 | 0 | 0 | 113.6 | E906 L907 S908 | N904-E906 PolarHBondContact O-N 2.84Å; N904-L907 HydrophobicContact CB-CB 4.22Å; N904-L907 HydrophobicContact CB-CD1 4.34Å; N904-L907 PolarHBondContact O-N 2.8Å; N904-S908 PolarHBondContact O-N 3.46Å | ||
| 905 | E | 58.5 | Low | 73.1 | Confident | 157 Ų | 157 | 74.1 Ų | 74.1 | 73% | 0.734 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -45.6 | -43.1 | -167.4 | -67.1 | -179 | 172.4 | 0 | 0 | 114.2 | R903 Y909 | R903-E905 PolarHBondContact O-N 3.18Å; E905-Y909 WeakPolarHBondContact O-CB 3.48Å; E905-Y909 PolarHBondContact O-N 3.42Å |
| 906 | E | 58.6 | Low | 73.3 | Confident | 168 Ų | 168 | 74 Ų | 74 | 79% | 0.785 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -68.4 | -45.9 | 179.3 | -75.5 | -170.3 | 147.2 | 0 | 0 | 113.7 | N904 Y909 V910 | N904-E906 PolarHBondContact O-N 2.84Å; E906-Y909 PolarHBondContact O-N 2.86Å; E906-V910 WeakPolarHBondContact O-CG2 3.45Å; E906-V910 PolarHBondContact O-N 2.79Å |
| 907 | L | 55.2 | Low | 73.6 | Confident | 111 Ų | 111 | 72.6 Ų | 72.6 | 58% | 0.581 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -63.4 | -42.9 | 177.6 | -95.8 | 117.5 | 0 | 0 | 0 | 111.1 | N904 Y909 V910 D911 | N904-L907 HydrophobicContact CB-CB 4.22Å; N904-L907 HydrophobicContact CB-CD1 4.34Å; N904-L907 PolarHBondContact O-N 2.8Å; L907-Y909 VanDerWaalsContact C-N 3.31Å; L907-Y909 PolarHBondContact O-N 2.81Å; L907-V910 PolarHBondContact O-N 2.86Å; L907-D911 WeakPolarHBondContact O-CB 3.42Å; L907-D911 VanDerWaalsContact O-CG 3.29Å; L907-D911 PolarHBondContact O-N 3.24Å |
| 908 | S | 74.3 | Confident | 74.1 | Confident | 46 Ų | 46 | 75.8 Ų | 75.8 | 32% | 0.322 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.2 | -37.6 | 177.4 | -176.8 | 0 | 0 | 0 | 0 | 112.5 | R903 N904 S912 | R903-S908 WeakPolarHBondContact O-CB 3.44Å; N904-S908 PolarHBondContact O-N 3.46Å; S908-S912 WeakPolarHBondContact O-CB 3.37Å; S908-S912 PolarHBondContact O-N 3.23Å; S908-S912 PolarHBondContact O-OG 2.99Å |
| 909 | Y | 82.5 | Confident | 74.6 | Confident | 42 Ų | 42 | 75.5 Ų | 75.5 | 17% | 0.165 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.7 | -50.1 | 176 | 176.9 | -95.3 | 0 | 0 | 0 | 112.1 | E905 E906 L907 D911 S912 V913 K992 Y1021 V1049 T1100 | E905-Y909 WeakPolarHBondContact O-CB 3.48Å; E905-Y909 PolarHBondContact O-N 3.42Å; E906-Y909 PolarHBondContact O-N 2.86Å; L907-Y909 VanDerWaalsContact C-N 3.31Å; L907-Y909 PolarHBondContact O-N 2.81Å; Y909-D911 VanDerWaalsContact C-N 3.3Å; Y909-D911 PolarHBondContact O-N 3.23Å; Y909-S912 WeakPolarHBondContact O-CB 3.38Å; Y909-S912 PolarHBondContact O-N 2.83Å; Y909-V913 HydrophobicContact CD1-CG2 4.45Å; Y909-V913 HydrophobicContact CE1-CG2 4.04Å; Y909-V913 HydrophobicContact CE2-CG2 4.38Å; Y909-V913 WeakPolarHBondContact O-CG2 3.33Å; Y909-V913 PolarHBondContact O-N 2.83Å; Y909-K992 HydrophobicContact CE1-CD 4.36Å; Y909-Y1021 HydrophobicContact CE1-CE1 4.44Å; Y909-V1049 WeakPolarHBondContact OH-CG1 3.48Å; Y909-T1100 HydrophobicContact CD2-CG2 3.74Å; Y909-T1100 HydrophobicContact CE2-CG2 3.65Å |
| 910 | V | 84.5 | Confident | 76 | Confident | 39 Ų | 39 | 70.6 Ų | 70.6 | 24% | 0.236 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.1 | -43.3 | 178.2 | 168.4 | 0 | 0 | 0 | 0 | 110.8 | E906 L907 S912 V913 N914 | E906-V910 WeakPolarHBondContact O-CG2 3.45Å; E906-V910 PolarHBondContact O-N 2.79Å; L907-V910 PolarHBondContact O-N 2.86Å; V910-S912 PolarHBondContact O-N 3.21Å; V910-V913 PolarHBondContact O-N 3.43Å; V910-N914 WeakPolarHBondContact O-CB 3.44Å; V910-N914 PolarHBondContact O-N 3.31Å; V910-N914 PolarHBondContact O-ND2 3.13Å |
| 911 | D | 85.5 | Confident | 77.6 | Confident | 73 Ų | 73 | 68.2 Ų | 68.2 | 39% | 0.39 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 175.7 | -77.6 | -16.2 | 0 | 0 | 0 | 112 | L907 Y909 V913 N914 R915 | L907-D911 WeakPolarHBondContact O-CB 3.42Å; L907-D911 VanDerWaalsContact O-CG 3.29Å; L907-D911 PolarHBondContact O-N 3.24Å; Y909-D911 VanDerWaalsContact C-N 3.3Å; Y909-D911 PolarHBondContact O-N 3.23Å; D911-V913 VanDerWaalsContact C-N 3.34Å; D911-V913 PolarHBondContact O-N 3.08Å; D911-N914 WeakPolarHBondContact O-CB 3.43Å; D911-N914 PolarHBondContact O-N 2.99Å; D911-R915 VanDerWaalsContact O-CG 3.31Å; D911-R915 WeakPolarHBondContact O-CG 3.42Å; D911-R915 PolarHBondContact O-N 2.83Å |
| 912 | S | 87.2 | Confident | 79.5 | Confident | 23 Ų | 23 | 67 Ų | 67 | 16% | 0.161 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 178.5 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | S908 Y909 V910 R915 F916 | S908-S912 WeakPolarHBondContact O-CB 3.37Å; S908-S912 PolarHBondContact O-N 3.23Å; S908-S912 PolarHBondContact O-OG 2.99Å; Y909-S912 WeakPolarHBondContact O-CB 3.38Å; Y909-S912 PolarHBondContact O-N 2.83Å; V910-S912 PolarHBondContact O-N 3.21Å; S912-R915 PolarHBondContact O-N 3.27Å; S912-F916 PolarHBondContact O-N 3Å; S912-F916 VanDerWaalsContact O-N 3.12Å |
| 913 | V | 91.4 | Very high | 81.6 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.1 | -41 | 175.4 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | Y909 V910 D911 R915 F916 V917 A976 V1049 T1100 | Y909-V913 HydrophobicContact CD1-CG2 4.45Å; Y909-V913 HydrophobicContact CE1-CG2 4.04Å; Y909-V913 HydrophobicContact CE2-CG2 4.38Å; Y909-V913 WeakPolarHBondContact O-CG2 3.33Å; Y909-V913 PolarHBondContact O-N 2.83Å; V910-V913 PolarHBondContact O-N 3.43Å; D911-V913 VanDerWaalsContact C-N 3.34Å; D911-V913 PolarHBondContact O-N 3.08Å; V913-R915 VanDerWaalsContact C-N 3.35Å; V913-R915 PolarHBondContact O-N 2.8Å; V913-F916 PolarHBondContact O-N 2.8Å; V913-V917 HydrophobicContact CG1-CG2 4.2Å; V913-V917 WeakPolarHBondContact O-CG2 3.44Å; V913-V917 PolarHBondContact O-N 2.86Å; V913-A976 HydrophobicContact CG1-CB 4.05Å; V913-V1049 HydrophobicContact CG1-CG2 4.07Å; V913-V1049 HydrophobicContact CG2-CG1 3.87Å; V913-T1100 HydrophobicContact CG2-CG2 3.92Å |
| 914 | N | 92.2 | Very high | 83.8 | Confident | 42 Ų | 42 | 52.7 Ų | 52.7 | 23% | 0.225 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.8 | -41.3 | 176.4 | -82.2 | -35.7 | 0 | 0 | 0 | 112.6 | V910 D911 V917 K918 H980 | V910-N914 WeakPolarHBondContact O-CB 3.44Å; V910-N914 PolarHBondContact O-N 3.31Å; V910-N914 PolarHBondContact O-ND2 3.13Å; D911-N914 WeakPolarHBondContact O-CB 3.43Å; D911-N914 PolarHBondContact O-N 2.99Å; N914-V917 PolarHBondContact O-N 3.11Å; N914-K918 VanDerWaalsContact O-CG 3.31Å; N914-K918 WeakPolarHBondContact O-CG 3.04Å; N914-K918 PolarHBondContact O-N 3.19Å; N914-H980 VanDerWaalsContact CG-ND1 3.35Å; N914-H980 PolarHBondContact ND2-ND1 2.83Å; N914-H980 PolarHBondContact OD1-CE1 2.97Å; N914-H980 PolarHBondContact OD1-ND1 3.43Å |
| 915 | R | 92.5 | Very high | 85.8 | Confident | 90 Ų | 90 | 50.8 Ų | 50.8 | 34% | 0.34 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.1 | -44.8 | 175.4 | -65.4 | 178.1 | -166.6 | 177.6 | 5.2 | 111.2 | D911 S912 V913 K918 F919 V1132 L1134 | D911-R915 VanDerWaalsContact O-CG 3.31Å; D911-R915 WeakPolarHBondContact O-CG 3.42Å; D911-R915 PolarHBondContact O-N 2.83Å; S912-R915 PolarHBondContact O-N 3.27Å; V913-R915 VanDerWaalsContact C-N 3.35Å; V913-R915 PolarHBondContact O-N 2.8Å; R915-K918 PolarHBondContact O-N 3.05Å; R915-F919 PolarHBondContact O-N 3.37Å; R915-F919 VanDerWaalsContact O-N 3.1Å; R915-V1132 WeakPolarHBondContact CB-O 3.35Å; R915-V1132 WeakPolarHBondContact CG-O 3.31Å; R915-L1134 HydrophobicContact CB-CD1 4.12Å; R915-L1134 HydrophobicContact CB-CD2 4.2Å; R915-L1134 HydrophobicContact CB-CG 4.02Å |
| 916 | F | 94.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.4 | -47.3 | 176.7 | 179.6 | -103.2 | 0 | 0 | 0 | 112.2 | L876 S912 V913 K918 F919 M920 V1047 Y1098 Y1104 | L876-F916 HydrophobicContact CD2-CD2 4.01Å; L876-F916 HydrophobicContact CD2-CE2 4.22Å; S912-F916 PolarHBondContact O-N 3Å; S912-F916 VanDerWaalsContact O-N 3.12Å; V913-F916 PolarHBondContact O-N 2.8Å; F916-K918 VanDerWaalsContact C-N 3.33Å; F916-K918 PolarHBondContact O-N 2.99Å; F916-F919 WeakPolarHBondContact O-CB 3.12Å; F916-F919 PolarHBondContact O-N 3.49Å; F916-F919 VanDerWaalsContact O-N 3.09Å; F916-M920 HydrophobicContact CD1-CG 4.11Å; F916-M920 HydrophobicContact CE1-CG 3.64Å; F916-M920 HydrophobicContact CE1-SD 4.32Å; F916-M920 HydrophobicContact CE2-CG 4.14Å; F916-M920 HydrophobicContact CE2-SD 4.07Å; F916-M920 HydrophobicContact CZ-CG 3.65Å; F916-M920 HydrophobicContact CZ-SD 3.73Å; F916-M920 WeakPolarHBondContact O-CG 3.46Å; F916-M920 PolarHBondContact O-N 3.15Å; F916-V1047 HydrophobicContact CE1-CB 4.11Å; F916-V1047 HydrophobicContact CE1-CG1 4.05Å; F916-V1047 HydrophobicContact CZ-CB 4.19Å; F916-V1047 HydrophobicContact CZ-CG1 3.96Å; F916-V1047 HydrophobicContact CZ-CG2 4.34Å; F916-Y1098 HydrophobicContact CB-CD1 4.29Å; F916-Y1098 HydrophobicContact CB-CE1 3.79Å; F916-Y1098 HydrophobicContact CB-CE2 4.36Å; F916-Y1098 AromaticContact CD1-CD1 3.74Å; F916-Y1098 HydrophobicContact CD1-CD1 3.74Å; F916-Y1098 HydrophobicContact CD1-CD2 4.24Å; F916-Y1098 HydrophobicContact CD1-CE1 4.13Å; F916-Y1098 AromaticContact CD1-CG 3.78Å; F916-Y1098 HydrophobicContact CD1-CG 3.78Å; F916-Y1098 HydrophobicContact CD2-CD1 4.34Å; F916-Y1098 AromaticContact CD2-CD2 3.56Å; F916-Y1098 HydrophobicContact CD2-CD2 3.56Å; F916-Y1098 HydrophobicContact CD2-CE1 4.3Å; F916-Y1098 AromaticContact CD2-CE2 3.55Å; F916-Y1098 HydrophobicContact CD2-CE2 3.55Å; F916-Y1098 AromaticContact CD2-CG 3.98Å; F916-Y1098 HydrophobicContact CD2-CG 3.98Å; F916-Y1098 AromaticContact CD2-CZ 3.93Å; F916-Y1098 HydrophobicContact CE1-CD1 4.14Å; F916-Y1098 HydrophobicContact CE1-CD2 4.2Å; F916-Y1098 AromaticContact CE1-CG 3.75Å; F916-Y1098 HydrophobicContact CE1-CG 3.75Å; F916-Y1098 AromaticContact CE2-CD2 3.52Å; F916-Y1098 HydrophobicContact CE2-CD2 3.52Å; F916-Y1098 AromaticContact CE2-CE2 3.96Å; F916-Y1098 HydrophobicContact CE2-CE2 3.96Å; F916-Y1098 AromaticContact CE2-CG 3.95Å; F916-Y1098 HydrophobicContact CE2-CG 3.95Å; F916-Y1098 AromaticContact CG-CD1 3.86Å; F916-Y1098 HydrophobicContact CG-CD1 3.86Å; F916-Y1098 AromaticContact CG-CD2 3.93Å; F916-Y1098 HydrophobicContact CG-CD2 3.93Å; F916-Y1098 AromaticContact CG-CE1 3.8Å; F916-Y1098 HydrophobicContact CG-CE1 3.8Å; F916-Y1098 AromaticContact CG-CE2 3.93Å; F916-Y1098 HydrophobicContact CG-CE2 3.93Å; F916-Y1098 AromaticContact CG-CG 3.9Å; F916-Y1098 HydrophobicContact CG-CG 3.9Å; F916-Y1098 AromaticContact CG-CZ 3.85Å; F916-Y1098 AromaticContact CZ-CD2 3.86Å; F916-Y1098 HydrophobicContact CZ-CD2 3.86Å; F916-Y1098 AromaticContact CZ-CG 3.84Å; F916-Y1098 HydrophobicContact CZ-CG 3.84Å; F916-Y1104 AromaticContact CE2-CD1 3.78Å; F916-Y1104 HydrophobicContact CE2-CD1 3.78Å; F916-Y1104 HydrophobicContact CE2-CD2 4.23Å; F916-Y1104 AromaticContact CE2-CE1 3.97Å; F916-Y1104 HydrophobicContact CE2-CE1 3.97Å; F916-Y1104 HydrophobicContact CE2-CE2 4.42Å; F916-Y1104 AromaticContact CE2-CG 3.9Å; F916-Y1104 HydrophobicContact CE2-CG 3.9Å; F916-Y1104 HydrophobicContact CZ-CD1 4.36Å; F916-Y1104 HydrophobicContact CZ-CD2 4.42Å; F916-Y1104 HydrophobicContact CZ-CE1 4.12Å; F916-Y1104 HydrophobicContact CZ-CE2 4.2Å; F916-Y1104 HydrophobicContact CZ-CG 4.48Å |
| 917 | V | 95.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.1 | -45.8 | 177.1 | 165.4 | 0 | 0 | 0 | 0 | 111.2 | V913 N914 F919 M920 E921 V974 A976 F1023 | V913-V917 HydrophobicContact CG1-CG2 4.2Å; V913-V917 WeakPolarHBondContact O-CG2 3.44Å; V913-V917 PolarHBondContact O-N 2.86Å; N914-V917 PolarHBondContact O-N 3.11Å; V917-F919 VanDerWaalsContact C-N 3.3Å; V917-F919 PolarHBondContact O-N 2.85Å; V917-M920 PolarHBondContact O-N 2.82Å; V917-M920 VanDerWaalsContact O-N 3.13Å; V917-E921 WeakPolarHBondContact O-CG 3.48Å; V917-E921 PolarHBondContact O-N 3.04Å; V917-V974 HydrophobicContact CG1-CG1 4.01Å; V917-V974 HydrophobicContact CG2-CG1 4.48Å; V917-A976 HydrophobicContact CG2-CB 3.83Å; V917-F1023 HydrophobicContact CB-CD2 4.5Å; V917-F1023 HydrophobicContact CG1-CD2 4.1Å; V917-F1023 HydrophobicContact CG1-CE2 4.48Å |
| 918 | K | 94.9 | Very high | 90.4 | Very high | 103 Ų | 103 | 43.4 Ų | 43.4 | 45% | 0.448 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.1 | -38.1 | 176.5 | -72.2 | 174 | -179.4 | 179.8 | 0 | 112.4 | N914 R915 F916 E921 V922 V1132 | N914-K918 VanDerWaalsContact O-CG 3.31Å; N914-K918 WeakPolarHBondContact O-CG 3.04Å; N914-K918 PolarHBondContact O-N 3.19Å; R915-K918 PolarHBondContact O-N 3.05Å; F916-K918 VanDerWaalsContact C-N 3.33Å; F916-K918 PolarHBondContact O-N 2.99Å; K918-E921 WeakPolarHBondContact O-CB 3.05Å; K918-E921 PolarHBondContact O-N 3.09Å; K918-V922 PolarHBondContact O-N 3.45Å; K918-V1132 HydrophobicContact CB-CB 4.22Å; K918-V1132 HydrophobicContact CB-CG1 3.82Å; K918-V1132 HydrophobicContact CD-CG1 4.45Å |
| 919 | F | 96 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66 | -41.2 | 173.8 | -178.8 | -95 | 0 | 0 | 0 | 111.9 | L876 R915 F916 V917 E921 V922 L923 I1106 V1132 L1134 L1136 | L876-F919 HydrophobicContact CD1-CD1 4.27Å; L876-F919 HydrophobicContact CD1-CD2 4.05Å; L876-F919 HydrophobicContact CD1-CE1 4.23Å; L876-F919 HydrophobicContact CD1-CE2 3.99Å; L876-F919 HydrophobicContact CD1-CG 4.18Å; L876-F919 HydrophobicContact CD1-CZ 4.08Å; L876-F919 HydrophobicContact CD2-CB 4.41Å; L876-F919 HydrophobicContact CD2-CD1 3.44Å; L876-F919 VanDerWaalsContact CD2-CD1 3.44Å; L876-F919 HydrophobicContact CD2-CE1 3.79Å; L876-F919 HydrophobicContact CD2-CG 3.88Å; L876-F919 HydrophobicContact CD2-CZ 4.47Å; R915-F919 PolarHBondContact O-N 3.37Å; R915-F919 VanDerWaalsContact O-N 3.1Å; F916-F919 WeakPolarHBondContact O-CB 3.12Å; F916-F919 PolarHBondContact O-N 3.49Å; F916-F919 VanDerWaalsContact O-N 3.09Å; V917-F919 VanDerWaalsContact C-N 3.3Å; V917-F919 PolarHBondContact O-N 2.85Å; F919-E921 VanDerWaalsContact C-N 3.29Å; F919-E921 PolarHBondContact O-N 3.18Å; F919-V922 WeakPolarHBondContact O-CA 3.38Å; F919-V922 WeakPolarHBondContact O-CB 3.48Å; F919-V922 PolarHBondContact O-N 3.34Å; F919-L923 HydrophobicContact CE1-CD1 4.12Å; F919-L923 PolarHBondContact O-N 3.08Å; F919-I1106 HydrophobicContact CE1-CD1 3.61Å; F919-I1106 HydrophobicContact CZ-CD1 4.09Å; F919-V1132 HydrophobicContact CB-CG2 4.2Å; F919-L1134 HydrophobicContact CB-CD1 4.08Å; F919-L1136 HydrophobicContact CE2-CD2 4.48Å; F919-L1136 HydrophobicContact CZ-CD1 4.17Å; F919-L1136 HydrophobicContact CZ-CD2 4.13Å |
| 920 | M | 95.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.2 | -31 | 175.9 | -67 | -53.7 | -59.9 | 0 | 0 | 112.9 | F916 V917 V922 L923 N924 F1023 V1045 V1047 | F916-M920 HydrophobicContact CD1-CG 4.11Å; F916-M920 HydrophobicContact CE1-CG 3.64Å; F916-M920 HydrophobicContact CE1-SD 4.32Å; F916-M920 HydrophobicContact CE2-CG 4.14Å; F916-M920 HydrophobicContact CE2-SD 4.07Å; F916-M920 HydrophobicContact CZ-CG 3.65Å; F916-M920 HydrophobicContact CZ-SD 3.73Å; F916-M920 WeakPolarHBondContact O-CG 3.46Å; F916-M920 PolarHBondContact O-N 3.15Å; V917-M920 PolarHBondContact O-N 2.82Å; V917-M920 VanDerWaalsContact O-N 3.13Å; M920-V922 VanDerWaalsContact C-N 3.33Å; M920-L923 HydrophobicContact CE-CD2 4.43Å; M920-N924 WeakPolarHBondContact O-CB 3.36Å; M920-N924 PolarHBondContact O-N 2.9Å; M920-N924 PolarHBondContact O-ND2 2.87Å; M920-F1023 HydrophobicContact CB-CB 4.14Å; M920-F1023 HydrophobicContact CB-CD1 3.87Å; M920-F1023 HydrophobicContact CB-CD2 3.34Å; M920-F1023 HydrophobicContact CB-CE1 4.07Å; M920-F1023 HydrophobicContact CB-CE2 3.55Å; M920-F1023 HydrophobicContact CB-CG 3.49Å; M920-F1023 VanDerWaalsContact CB-CG 3.49Å; M920-F1023 HydrophobicContact CB-CZ 3.9Å; M920-F1023 HydrophobicContact CE-CD1 4.47Å; M920-F1023 HydrophobicContact CG-CB 4.19Å; M920-F1023 HydrophobicContact CG-CD2 4.26Å; M920-F1023 HydrophobicContact CG-CG 4.07Å; M920-V1045 HydrophobicContact CE-CB 3.76Å; M920-V1045 HydrophobicContact CE-CG1 3.49Å; M920-V1045 VanDerWaalsContact CE-CG1 3.49Å; M920-V1047 HydrophobicContact CE-CG2 3.8Å; M920-V1047 HydrophobicContact SD-CG2 4.45Å |
| 921 | E | 94.3 | Very high | 89.9 | Confident | 19 Ų | 19 | 45.8 Ų | 45.8 | 9% | 0.089 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.6 | -42.4 | 168.9 | -66.8 | 174.4 | -169.8 | 0 | 0 | 110.9 | V917 K918 F919 R925 F926 R928 F1023 | V917-E921 WeakPolarHBondContact O-CG 3.48Å; V917-E921 PolarHBondContact O-N 3.04Å; K918-E921 WeakPolarHBondContact O-CB 3.05Å; K918-E921 PolarHBondContact O-N 3.09Å; F919-E921 VanDerWaalsContact C-N 3.29Å; F919-E921 PolarHBondContact O-N 3.18Å; E921-R925 PolarHBondContact O-N 2.96Å; E921-F926 PolarHBondContact O-N 2.79Å; E921-R928 IonicContact OE1-CZ 3.49Å; E921-R928 IonicContact OE1-NE 3.42Å; E921-R928 PolarHBondContact OE1-NE 3.09Å; E921-R928 IonicContact OE1-NH2 2.8Å; E921-R928 PolarHBondContact OE1-NH2 2.64Å; E921-R928 IonicContact OE2-NE 2.76Å; E921-R928 PolarHBondContact OE2-NE 3.13Å; E921-R928 IonicContact OE2-NH2 3.52Å; E921-F1023 HydrophobicContact CG-CE2 3.84Å; E921-F1023 HydrophobicContact CG-CZ 4.47Å |
| 922 | V | 93 | Very high | 89.2 | Confident | 40 Ų | 40 | 42.9 Ų | 42.9 | 24% | 0.242 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.8 | -47.5 | 176.8 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | K918 F919 M920 N924 R925 K1128 | K918-V922 PolarHBondContact O-N 3.45Å; F919-V922 WeakPolarHBondContact O-CA 3.38Å; F919-V922 WeakPolarHBondContact O-CB 3.48Å; F919-V922 PolarHBondContact O-N 3.34Å; M920-V922 VanDerWaalsContact C-N 3.33Å; V922-N924 VanDerWaalsContact C-N 3.34Å; V922-N924 PolarHBondContact O-N 3.23Å; V922-R925 PolarHBondContact O-N 3.21Å; V922-R925 VanDerWaalsContact O-N 3.1Å; V922-K1128 HydrophobicContact CG1-CB 3.84Å; V922-K1128 HydrophobicContact CG1-CG 4.04Å; V922-K1128 HydrophobicContact CG2-CB 4.23Å |
| 923 | L | 93 | Very high | 88.3 | Confident | 13 Ų | 13 | 47.9 Ų | 47.9 | 7% | 0.068 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.9 | -45.6 | -179.3 | -174.2 | 152.8 | 0 | 0 | 0 | 111.1 | F919 M920 R925 V1045 I1106 W1125 | F919-L923 HydrophobicContact CE1-CD1 4.12Å; F919-L923 PolarHBondContact O-N 3.08Å; M920-L923 HydrophobicContact CE-CD2 4.43Å; L923-R925 VanDerWaalsContact C-N 3.25Å; L923-R925 PolarHBondContact O-N 3.3Å; L923-V1045 HydrophobicContact CD2-CB 3.93Å; L923-V1045 HydrophobicContact CD2-CG2 3.57Å; L923-I1106 HydrophobicContact CD1-CD1 4.03Å; L923-W1125 HydrophobicContact CG-CH2 4.48Å; L923-W1125 HydrophobicContact CG-CZ2 4.27Å |
| 924 | N | 92.4 | Very high | 86.8 | Confident | 17 Ų | 17 | 52.5 Ų | 52.5 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 0.9 | 177.9 | -72 | -74.1 | 0 | 0 | 0 | 114.2 | M920 V922 F926 F1023 I1044 V1045 | M920-N924 WeakPolarHBondContact O-CB 3.36Å; M920-N924 PolarHBondContact O-N 2.9Å; M920-N924 PolarHBondContact O-ND2 2.87Å; V922-N924 VanDerWaalsContact C-N 3.34Å; V922-N924 PolarHBondContact O-N 3.23Å; N924-F926 HydrophobicContact CB-CD2 3.63Å; N924-F926 HydrophobicContact CB-CE2 3.47Å; N924-F926 VanDerWaalsContact CB-CE2 3.47Å; N924-F926 HydrophobicContact CB-CG 4.29Å; N924-F926 HydrophobicContact CB-CZ 4.02Å; N924-F926 PolarHBondContact O-N 2.92Å; N924-F1023 WeakPolarHBondContact ND2-CE1 3.48Å; N924-I1044 WeakPolarHBondContact OD1-CA 3.34Å; N924-V1045 PolarHBondContact ND2-O 3.4Å; N924-V1045 PolarHBondContact OD1-N 3.39Å |
| 925 | R | 90.6 | Very high | 85.1 | Confident | 84 Ų | 84 | 52.6 Ų | 52.6 | 32% | 0.317 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 29.9 | 179.8 | -51.7 | 173.8 | 178.9 | 173.1 | -4.1 | 114.2 | E921 V922 L923 D1077 P1080 | E921-R925 PolarHBondContact O-N 2.96Å; V922-R925 PolarHBondContact O-N 3.21Å; V922-R925 VanDerWaalsContact O-N 3.1Å; L923-R925 VanDerWaalsContact C-N 3.25Å; L923-R925 PolarHBondContact O-N 3.3Å; R925-D1077 IonicContact CZ-OD2 2.78Å; R925-D1077 IonicContact NH1-OD2 3.96Å; R925-D1077 PolarHBondContact NH1-OD2 2.88Å; R925-D1077 PolarHBondContact NH2-O 3.44Å; R925-P1080 VanDerWaalsContact CZ-CB 3.48Å |
| 926 | F | 91.7 | Very high | 82.9 | Confident | 14 Ų | 14 | 55.8 Ų | 55.8 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | trans | -81.3 | 153.8 | 174 | -62.1 | -44.2 | 0 | 0 | 0 | 111.7 | E921 N924 I961 L968 M972 F1023 L1025 I1044 | E921-F926 PolarHBondContact O-N 2.79Å; N924-F926 HydrophobicContact CB-CD2 3.63Å; N924-F926 HydrophobicContact CB-CE2 3.47Å; N924-F926 VanDerWaalsContact CB-CE2 3.47Å; N924-F926 HydrophobicContact CB-CG 4.29Å; N924-F926 HydrophobicContact CB-CZ 4.02Å; N924-F926 PolarHBondContact O-N 2.92Å; F926-I961 HydrophobicContact CB-CB 4.4Å; F926-I961 HydrophobicContact CB-CD1 4.39Å; F926-I961 HydrophobicContact CD2-CD1 3.85Å; F926-I961 HydrophobicContact CE2-CD1 4.38Å; F926-I961 HydrophobicContact CG-CD1 4.2Å; F926-L968 HydrophobicContact CE1-CD1 3.98Å; F926-L968 HydrophobicContact CZ-CD1 4.45Å; F926-M972 HydrophobicContact CE1-CE 4.15Å; F926-F1023 HydrophobicContact CD2-CE1 4.49Å; F926-F1023 AromaticContact CD2-CZ 3.87Å; F926-F1023 HydrophobicContact CD2-CZ 3.87Å; F926-F1023 HydrophobicContact CE2-CE1 4.16Å; F926-F1023 HydrophobicContact CE2-CZ 4Å; F926-L1025 HydrophobicContact CE2-CD1 3.8Å; F926-L1025 HydrophobicContact CE2-CD2 4.09Å; F926-L1025 HydrophobicContact CZ-CD1 3.74Å; F926-I1044 HydrophobicContact CE2-CG2 4.46Å; F926-I1044 HydrophobicContact CZ-CD1 4.15Å; F926-I1044 HydrophobicContact CZ-CG2 4.15Å | ||
| 927 | R | 88.5 | Confident | 80.8 | Confident | 197 Ų | 197 | 62.3 Ų | 62.3 | 74% | 0.743 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 141.9 | 175.1 | -62 | -177.1 | -176.3 | 179.7 | 1.6 | 109.8 | I961 T962 | R927-I961 CarbonylContact O-C 3.57Å; R927-I961 WeakPolarHBondContact O-CA 3.48Å; R927-T962 PolarHBondContact N-O 3.02Å; R927-T962 PolarHBondContact O-N 2.81Å; R927-T962 PolarHBondContact O-OG1 3.35Å |
| 928 | R | 88.5 | Confident | 78.8 | Confident | 69 Ų | 69 | 67.7 Ų | 67.7 | 26% | 0.26 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 143.1 | 170.4 | -69.6 | -174.8 | 177.8 | -133.6 | -5.6 | 110.2 | E921 A932 L933 I961 | E921-R928 IonicContact OE1-CZ 3.49Å; E921-R928 IonicContact OE1-NE 3.42Å; E921-R928 PolarHBondContact OE1-NE 3.09Å; E921-R928 IonicContact OE1-NH2 2.8Å; E921-R928 PolarHBondContact OE1-NH2 2.64Å; E921-R928 IonicContact OE2-NE 2.76Å; E921-R928 PolarHBondContact OE2-NE 3.13Å; E921-R928 IonicContact OE2-NH2 3.52Å; R928-A932 HydrophobicContact CB-CB 4.2Å; R928-L933 HydrophobicContact CB-CD2 4.25Å; R928-L933 HydrophobicContact CB-CG 4.44Å; R928-I961 HydrophobicContact CG-CG2 3.84Å |
| 929 | T | 83.3 | Confident | 76.8 | Confident | 32 Ų | 32 | 71.4 Ų | 71.4 | 20% | 0.196 | 37% | 0.371 | C | S | . | . | trans | -64.7 | 154.8 | 176.3 | 58.1 | 0 | 0 | 0 | 0 | 111.9 | A931 A932 L933 S960 T962 | T929-A931 PolarHBondContact O-N 2.8Å; T929-A932 WeakPolarHBondContact O-CA 3.38Å; T929-A932 WeakPolarHBondContact O-CB 3.42Å; T929-A932 PolarHBondContact O-N 2.87Å; T929-A932 WeakPolarHBondContact OG1-CB 3.23Å; T929-A932 PolarHBondContact OG1-N 2.77Å; T929-L933 PolarHBondContact O-N 3.11Å; T929-L933 VanDerWaalsContact O-N 3.09Å; T929-S960 PolarHBondContact N-O 2.77Å; T929-S960 VanDerWaalsContact N-O 3.09Å; T929-S960 PolarHBondContact OG1-O 2.86Å; T929-T962 HydrophobicContact CG2-CG2 3.58Å | ||
| 930 | S | 75.3 | Confident | 75.3 | Confident | 102 Ų | 102 | 78.3 Ų | 78.3 | 71% | 0.713 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -57 | -34.5 | 177.7 | -49.8 | 0 | 0 | 0 | 0 | 112.9 | A932 L933 S934 | S930-A932 VanDerWaalsContact C-N 3.32Å; S930-A932 PolarHBondContact O-N 2.99Å; S930-L933 PolarHBondContact O-N 2.96Å; S930-S934 PolarHBondContact O-N 2.8Å; S930-S934 VanDerWaalsContact O-N 3.15Å |
| 931 | A | 73.2 | Confident | 74 | Confident | 44 Ų | 44 | 81.7 Ų | 81.7 | 36% | 0.364 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.8 | -35 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | T929 R957 | T929-A931 PolarHBondContact O-N 2.8Å; A931-R957 HydrophobicContact CB-CG 4.33Å |
| 932 | A | 70.3 | Confident | 73 | Confident | 12 Ų | 12 | 85.3 Ų | 85.3 | 10% | 0.099 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -72.6 | -31 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R928 T929 S930 F958 | R928-A932 HydrophobicContact CB-CB 4.2Å; T929-A932 WeakPolarHBondContact O-CA 3.38Å; T929-A932 WeakPolarHBondContact O-CB 3.42Å; T929-A932 PolarHBondContact O-N 2.87Å; T929-A932 WeakPolarHBondContact OG1-CB 3.23Å; T929-A932 PolarHBondContact OG1-N 2.77Å; S930-A932 VanDerWaalsContact C-N 3.32Å; S930-A932 PolarHBondContact O-N 2.99Å; A932-F958 WeakPolarHBondContact CA-O 3.44Å; A932-F958 WeakPolarHBondContact CB-O 3.35Å |
| 933 | L | 68.5 | Low | 72.5 | Confident | 127 Ų | 127 | 85.7 Ų | 85.7 | 67% | 0.665 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -74.6 | -32.8 | 178.2 | -66.3 | 172.3 | 0 | 0 | 0 | 113.2 | R928 T929 S930 A935 | R928-L933 HydrophobicContact CB-CD2 4.25Å; R928-L933 HydrophobicContact CB-CG 4.44Å; T929-L933 PolarHBondContact O-N 3.11Å; T929-L933 VanDerWaalsContact O-N 3.09Å; S930-L933 PolarHBondContact O-N 2.96Å; L933-A935 VanDerWaalsContact C-N 3.26Å; L933-A935 PolarHBondContact O-N 3.36Å |
| 934 | S | 59.7 | Low | 72.2 | Confident | 97 Ų | 97 | 87.3 Ų | 87.3 | 68% | 0.678 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | 0.8 | -178.1 | -176.8 | 0 | 0 | 0 | 0 | 114.3 | S930 E936 | S930-S934 PolarHBondContact O-N 2.8Å; S930-S934 VanDerWaalsContact O-N 3.15Å; S934-E936 PolarHBondContact O-N 3.49Å |
| 935 | A | 55.7 | Low | 71.8 | Confident | 44 Ų | 44 | 88.6 Ų | 88.6 | 36% | 0.364 | 46% | 0.455 | S | S | . | . | trans | -72.6 | 101.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111 | L933 F958 | L933-A935 VanDerWaalsContact C-N 3.26Å; L933-A935 PolarHBondContact O-N 3.36Å; A935-F958 HydrophobicContact CB-CD1 4.09Å | ||
| 936 | E | 47.7 | Very low | 71.4 | Confident | 157 Ų | 157 | 89.4 Ų | 89.4 | 73% | 0.734 | 47% | 0.474 | S | S | * | . | trans | -57.6 | 155.4 | 168.8 | -74 | -178 | 163.8 | 0 | 0 | 112.2 | S934 R938 | S934-E936 PolarHBondContact O-N 3.49Å; E936-R938 WeakPolarHBondContact O-CG 3.4Å; E936-R938 PolarHBondContact O-N 2.86Å | ||
| 937 | P | 48.7 | Very low | 71.1 | Confident | 138 Ų | 138 | 91.9 Ų | 91.9 | 90% | 0.896 | 49% | 0.492 | S | S | * | . | trans | -64.6 | 104.2 | 173.4 | 26.1 | -31.8 | 0 | 0 | 0 | 109.7 | ||||
| 938 | R | 53.3 | Low | 70.9 | Confident | 113 Ų | 113 | 83.9 Ų | 83.9 | 43% | 0.426 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -91 | 159.1 | -171.7 | -79 | 173.8 | -174.3 | 161.9 | 3.9 | 112.9 | E936 Q940 L942 F958 | E936-R938 WeakPolarHBondContact O-CG 3.4Å; E936-R938 PolarHBondContact O-N 2.86Å; R938-Q940 PolarHBondContact O-N 3.43Å; R938-L942 HydrophobicContact CB-CD1 4.31Å; R938-F958 VanDerWaalsContact NH2-CE1 3.29Å |
| 939 | K | 54.6 | Low | 70.7 | Confident | 180 Ų | 180 | 86.6 Ų | 86.6 | 78% | 0.783 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 127.9 | 170.4 | -66.9 | -178.2 | 179.1 | 179.9 | 0 | 109.8 | L942 | K939-L942 WeakPolarHBondContact O-CD1 3.37Å; K939-L942 WeakPolarHBondContact O-CG 3.39Å |
| 940 | Q | 63.4 | Low | 70.9 | Confident | 146 Ų | 146 | 89.3 Ų | 89.3 | 68% | 0.682 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -59.4 | 153.2 | 177.1 | -69.6 | 171.1 | -18.2 | 0 | 0 | 110.7 | R938 D984 | R938-Q940 PolarHBondContact O-N 3.43Å; Q940-D984 WeakPolarHBondContact CA-O 3.36Å |
| 941 | N | 67.4 | Low | 71.4 | Confident | 70 Ų | 70 | 84.6 Ų | 84.6 | 37% | 0.374 | 46% | 0.462 | S | S | . | . | trans | 67.3 | 47.6 | 168.2 | -69.2 | -25 | 0 | 0 | 0 | 116.1 | D984 N985 K987 | N941-D984 PolarHBondContact N-O 2.65Å; N941-N985 CarbonylContact C-O 3.55Å; N941-K987 HydrophobicContact CB-CD 4.49Å; N941-K987 HydrophobicContact CB-CG 3.54Å; N941-K987 WeakPolarHBondContact O-CE 3.47Å | ||
| 942 | L | 74.6 | Confident | 72.2 | Confident | 96 Ų | 96 | 83.4 Ų | 83.4 | 50% | 0.503 | 45% | 0.449 | S | S | . | . | trans | -85.7 | -24.3 | -179.7 | -77.9 | 162.5 | 0 | 0 | 0 | 114.8 | R938 K939 N985 | R938-L942 HydrophobicContact CB-CD1 4.31Å; K939-L942 WeakPolarHBondContact O-CD1 3.37Å; K939-L942 WeakPolarHBondContact O-CG 3.39Å; L942-N985 PolarHBondContact N-O 2.9Å | ||
| 943 | Y | 83.2 | Confident | 73 | Confident | 48 Ų | 48 | 86 Ų | 86 | 19% | 0.188 | 47% | 0.47 | C | S | . | . | B | Isolated β-bridge | trans | -118.4 | 158.8 | -172.1 | -55.4 | -88.3 | 0 | 0 | 0 | 111.8 | V950 L951 A954 W981 N985 K987 | Y943-V950 HydrophobicContact CE1-CG1 4.47Å; Y943-L951 VanDerWaalsContact CB-CD1 3.47Å; Y943-L951 HydrophobicContact CG-CD1 4.01Å; Y943-A954 HydrophobicContact CE1-CB 3.78Å; Y943-A954 HydrophobicContact CE2-CB 4.42Å; Y943-W981 HydrophobicContact CD2-CH2 4.02Å; Y943-W981 HydrophobicContact CD2-CZ2 4.1Å; Y943-W981 HydrophobicContact CE2-CH2 4.12Å; Y943-W981 AromaticContact CE2-CZ2 3.81Å; Y943-W981 HydrophobicContact CE2-CZ2 3.81Å; Y943-N985 HydrophobicContact CD2-CB 4.06Å; Y943-N985 HydrophobicContact CE2-CB 4.45Å; Y943-N985 PolarHBondContact N-O 2.81Å; Y943-K987 PolarHBondContact O-N 3.43Å |
| 944 | T | 85.3 | Confident | 73.9 | Confident | 47 Ų | 47 | 80.3 Ų | 80.3 | 29% | 0.288 | 44% | 0.442 | S | S | . | . | trans | -121.7 | 147.4 | 175.1 | 55 | 0 | 0 | 0 | 0 | 110.4 | S946 C947 E988 | T944-S946 WeakPolarHBondContact CB-OG 3.26Å; T944-S946 PolarHBondContact O-N 3.36Å; T944-S946 VanDerWaalsContact O-N 3.17Å; T944-S946 PolarHBondContact OG1-OG 3.03Å; T944-C947 PolarHBondContact O-N 3.06Å; T944-E988 WeakPolarHBondContact CA-OE1 3.36Å; T944-E988 WeakPolarHBondContact CA-OE2 3.48Å; T944-E988 WeakPolarHBondContact CB-OE1 3.27Å | ||
| 945 | I | 84.1 | Confident | 75.3 | Confident | 44 Ų | 44 | 75.8 Ų | 75.8 | 23% | 0.226 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -24 | 179 | -62.2 | 177 | 0 | 0 | 0 | 111.8 | C947 V986 E988 I989 F998 | I945-C947 PolarHBondContact O-N 2.76Å; I945-V986 HydrophobicContact CD1-CG1 4.44Å; I945-V986 HydrophobicContact CG1-CG1 3.63Å; I945-E988 HydrophobicContact CD1-CB 3.71Å; I945-E988 HydrophobicContact CG1-CB 4.13Å; I945-E988 PolarHBondContact N-OE1 3.1Å; I945-E988 PolarHBondContact N-OE2 2.79Å; I945-I989 HydrophobicContact CD1-CD1 4.06Å; I945-I989 HydrophobicContact CD1-CG1 3.68Å; I945-I989 HydrophobicContact CG1-CD1 4.27Å; I945-I989 HydrophobicContact CG1-CG1 4.21Å; I945-F998 HydrophobicContact CB-CE2 4.49Å; I945-F998 HydrophobicContact CD1-CD2 4.46Å; I945-F998 HydrophobicContact CG2-CD2 3.92Å; I945-F998 HydrophobicContact CG2-CE2 3.47Å; I945-F998 VanDerWaalsContact CG2-CE2 3.47Å; I945-F998 HydrophobicContact CG2-CZ 4.27Å |
| 946 | S | 83.2 | Confident | 76.9 | Confident | 100 Ų | 100 | 74.5 Ų | 74.5 | 70% | 0.699 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -23.4 | 178.3 | 43.4 | 0 | 0 | 0 | 0 | 114.5 | T944 | T944-S946 WeakPolarHBondContact CB-OG 3.26Å; T944-S946 PolarHBondContact O-N 3.36Å; T944-S946 VanDerWaalsContact O-N 3.17Å; T944-S946 PolarHBondContact OG1-OG 3.03Å |
| 947 | C | 84.8 | Confident | 78.7 | Confident | 67 Ų | 67 | 74.6 Ų | 74.6 | 45% | 0.453 | 39% | 0.39 | S | S | . | . | trans | -110.2 | 61.6 | 179.8 | -66.3 | 0 | 0 | 0 | 0 | 111.8 | T944 I945 E949 V950 L951 | T944-C947 PolarHBondContact O-N 3.06Å; I945-C947 PolarHBondContact O-N 2.76Å; C947-E949 VanDerWaalsContact C-N 3.32Å; C947-E949 PolarHBondContact O-N 2.9Å; C947-V950 HydrophobicContact CB-CB 4.3Å; C947-V950 HydrophobicContact CB-CG2 4.45Å; C947-V950 PolarHBondContact O-N 2.92Å; C947-L951 WeakPolarHBondContact O-CB 3.08Å; C947-L951 PolarHBondContact O-N 3.21Å | ||
| 948 | E | 84.6 | Confident | 80.5 | Confident | 28 Ų | 28 | 68.9 Ų | 68.9 | 13% | 0.131 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -53.6 | -40.4 | -172.8 | -166.1 | -179.9 | 135 | 0 | 0 | 114.2 | L951 L952 F998 L1002 R1007 | E948-L951 WeakPolarHBondContact O-CB 3.12Å; E948-L951 PolarHBondContact O-N 3.16Å; E948-L952 HydrophobicContact CG-CD1 4.2Å; E948-L952 WeakPolarHBondContact O-CB 3.49Å; E948-L952 WeakPolarHBondContact O-CG 3.33Å; E948-L952 PolarHBondContact O-N 3.15Å; E948-F998 HydrophobicContact CG-CZ 4.49Å; E948-L1002 HydrophobicContact CG-CD2 3.73Å; E948-L1002 WeakPolarHBondContact OE1-CD2 3.41Å; E948-R1007 WeakPolarHBondContact OE1-CD 3.44Å; E948-R1007 WeakPolarHBondContact OE1-CG 3.4Å; E948-R1007 IonicContact OE1-NE 3.59Å |
| 949 | E | 84.6 | Confident | 82.2 | Confident | 126 Ų | 126 | 64.1 Ų | 64.1 | 59% | 0.589 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -68.6 | -42.6 | -179.6 | -64.9 | -163.2 | 160.5 | 0 | 0 | 113.1 | C947 L951 L952 A953 R1007 | C947-E949 VanDerWaalsContact C-N 3.32Å; C947-E949 PolarHBondContact O-N 2.9Å; E949-L951 VanDerWaalsContact C-N 3.32Å; E949-L952 PolarHBondContact O-N 3.07Å; E949-A953 VanDerWaalsContact O-CB 3.29Å; E949-A953 WeakPolarHBondContact O-CB 3.12Å; E949-A953 PolarHBondContact O-N 3.25Å; E949-R1007 IonicContact OE1-CZ 3.37Å; E949-R1007 IonicContact OE1-NH1 3.6Å; E949-R1007 PolarHBondContact OE1-NH1 3.34Å; E949-R1007 IonicContact OE1-NH2 3.67Å; E949-R1007 PolarHBondContact OE1-NH2 3.38Å |
| 950 | V | 86 | Confident | 83.9 | Confident | 90 Ų | 90 | 55.6 Ų | 55.6 | 55% | 0.545 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 177 | 179.7 | 0 | 0 | 0 | 0 | 110 | Y943 C947 A953 A954 | Y943-V950 HydrophobicContact CE1-CG1 4.47Å; C947-V950 HydrophobicContact CB-CB 4.3Å; C947-V950 HydrophobicContact CB-CG2 4.45Å; C947-V950 PolarHBondContact O-N 2.92Å; V950-A953 PolarHBondContact O-N 3.33Å; V950-A954 WeakPolarHBondContact O-CB 3.46Å; V950-A954 PolarHBondContact O-N 2.86Å |
| 951 | L | 87.5 | Confident | 85.2 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.8 | -51.2 | 176 | -176.3 | 86.5 | 0 | 0 | 0 | 111.4 | Y943 C947 E948 E949 A954 A955 W981 L982 V986 F998 | Y943-L951 VanDerWaalsContact CB-CD1 3.47Å; Y943-L951 HydrophobicContact CG-CD1 4.01Å; C947-L951 WeakPolarHBondContact O-CB 3.08Å; C947-L951 PolarHBondContact O-N 3.21Å; E948-L951 WeakPolarHBondContact O-CB 3.12Å; E948-L951 PolarHBondContact O-N 3.16Å; E949-L951 VanDerWaalsContact C-N 3.32Å; L951-A954 WeakPolarHBondContact O-CB 3.42Å; L951-A954 PolarHBondContact O-N 2.85Å; L951-A955 PolarHBondContact O-N 2.82Å; L951-W981 HydrophobicContact CD1-CH2 3.88Å; L951-W981 HydrophobicContact CD1-CZ3 3.79Å; L951-W981 HydrophobicContact CG-CH2 4.34Å; L951-W981 HydrophobicContact CG-CZ3 4.11Å; L951-L982 HydrophobicContact CD2-CD2 4.09Å; L951-V986 HydrophobicContact CD1-CG2 3.48Å; L951-V986 VanDerWaalsContact CD1-CG2 3.48Å; L951-F998 HydrophobicContact CD2-CE1 3.37Å; L951-F998 HydrophobicContact CD2-CZ 3.48Å; L951-F998 VanDerWaalsContact CD2-CZ 3.48Å |
| 952 | L | 88.5 | Confident | 86.2 | Confident | 19 Ų | 19 | 47.6 Ų | 47.6 | 10% | 0.099 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 178.9 | -78.5 | 171.2 | 0 | 0 | 0 | 111.9 | E948 E949 A954 A955 F956 L1002 R1007 I1008 | E948-L952 HydrophobicContact CG-CD1 4.2Å; E948-L952 WeakPolarHBondContact O-CB 3.49Å; E948-L952 WeakPolarHBondContact O-CG 3.33Å; E948-L952 PolarHBondContact O-N 3.15Å; E949-L952 PolarHBondContact O-N 3.07Å; L952-A954 VanDerWaalsContact C-N 3.26Å; L952-A954 PolarHBondContact O-N 3.11Å; L952-A955 PolarHBondContact O-N 2.98Å; L952-F956 HydrophobicContact CD2-CE2 4.31Å; L952-F956 WeakPolarHBondContact O-CD2 3.29Å; L952-F956 PolarHBondContact O-N 3.08Å; L952-L1002 HydrophobicContact CD1-CD2 4.07Å; L952-L1002 HydrophobicContact CD2-CD1 3.9Å; L952-L1002 HydrophobicContact CD2-CD2 4.18Å; L952-L1002 HydrophobicContact CG-CD2 4.29Å; L952-R1007 HydrophobicContact CD1-CB 3.88Å; L952-I1008 HydrophobicContact CD2-CG2 3.98Å |
| 953 | A | 86.8 | Confident | 86.7 | Confident | 65 Ų | 65 | 44.7 Ų | 44.7 | 54% | 0.537 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.6 | -40.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E949 V950 R957 | E949-A953 VanDerWaalsContact O-CB 3.29Å; E949-A953 WeakPolarHBondContact O-CB 3.12Å; E949-A953 PolarHBondContact O-N 3.25Å; V950-A953 PolarHBondContact O-N 3.33Å; A953-R957 VanDerWaalsContact O-CB 3.25Å; A953-R957 WeakPolarHBondContact O-CB 3.17Å; A953-R957 PolarHBondContact O-N 3.43Å |
| 954 | A | 87.2 | Confident | 86.3 | Confident | 9 Ų | 9 | 48.2 Ų | 48.2 | 7% | 0.074 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.5 | -48 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y943 V950 L951 L952 F956 R957 F958 W981 | Y943-A954 HydrophobicContact CE1-CB 3.78Å; Y943-A954 HydrophobicContact CE2-CB 4.42Å; V950-A954 WeakPolarHBondContact O-CB 3.46Å; V950-A954 PolarHBondContact O-N 2.86Å; L951-A954 WeakPolarHBondContact O-CB 3.42Å; L951-A954 PolarHBondContact O-N 2.85Å; L952-A954 VanDerWaalsContact C-N 3.26Å; L952-A954 PolarHBondContact O-N 3.11Å; A954-F956 PolarHBondContact O-N 3.32Å; A954-R957 WeakPolarHBondContact O-CB 3.37Å; A954-R957 PolarHBondContact O-N 2.9Å; A954-R957 VanDerWaalsContact O-N 3.13Å; A954-F958 HydrophobicContact CB-CD2 4.31Å; A954-F958 HydrophobicContact CB-CE2 4.12Å; A954-F958 WeakPolarHBondContact O-CD2 3.47Å; A954-F958 PolarHBondContact O-N 2.92Å; A954-W981 HydrophobicContact CB-CH2 4.13Å; A954-W981 HydrophobicContact CB-CZ2 4.09Å |
| 955 | A | 89.2 | Confident | 85.8 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.8 | -49.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L951 L952 R957 F958 L959 I973 L978 W981 | L951-A955 PolarHBondContact O-N 2.82Å; L952-A955 PolarHBondContact O-N 2.98Å; A955-R957 VanDerWaalsContact C-N 3.29Å; A955-R957 PolarHBondContact O-N 2.81Å; A955-F958 PolarHBondContact O-N 3.33Å; A955-L959 HydrophobicContact CB-CD1 4.41Å; A955-L959 VanDerWaalsContact O-CB 3.22Å; A955-L959 WeakPolarHBondContact O-CB 3.47Å; A955-L959 VanDerWaalsContact O-CG 3.31Å; A955-L959 WeakPolarHBondContact O-CG 3.3Å; A955-L959 PolarHBondContact O-N 3.42Å; A955-I973 HydrophobicContact CB-CD1 4.33Å; A955-L978 HydrophobicContact CB-CD1 3.96Å; A955-W981 HydrophobicContact CB-CE3 4.14Å; A955-W981 HydrophobicContact CB-CH2 4.25Å; A955-W981 HydrophobicContact CB-CZ3 3.92Å |
| 956 | F | 89.3 | Confident | 84.9 | Confident | 18 Ų | 18 | 51 Ų | 51 | 8% | 0.079 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.7 | -31.1 | 176.1 | -83.9 | -82.8 | 0 | 0 | 0 | 112.9 | L952 A954 S960 R971 I973 I1008 A1028 | L952-F956 HydrophobicContact CD2-CE2 4.31Å; L952-F956 WeakPolarHBondContact O-CD2 3.29Å; L952-F956 PolarHBondContact O-N 3.08Å; A954-F956 PolarHBondContact O-N 3.32Å; F956-S960 WeakPolarHBondContact O-CB 3.26Å; F956-S960 PolarHBondContact O-N 3.22Å; F956-R971 HydrophobicContact CD1-CB 4.3Å; F956-I973 HydrophobicContact CB-CD1 4.25Å; F956-I973 HydrophobicContact CD1-CD1 3.54Å; F956-I973 HydrophobicContact CD1-CG1 3.69Å; F956-I973 HydrophobicContact CD2-CD1 3.64Å; F956-I973 HydrophobicContact CE1-CD1 3.61Å; F956-I973 HydrophobicContact CE1-CG1 3.64Å; F956-I973 HydrophobicContact CE2-CD1 3.71Å; F956-I973 HydrophobicContact CG-CD1 3.54Å; F956-I973 HydrophobicContact CG-CG1 4.21Å; F956-I973 HydrophobicContact CZ-CD1 3.68Å; F956-I973 HydrophobicContact CZ-CG1 4.12Å; F956-I1008 HydrophobicContact CE2-CG2 3.9Å; F956-I1008 HydrophobicContact CZ-CG2 4.06Å; F956-A1028 HydrophobicContact CE1-CB 4.1Å; F956-A1028 HydrophobicContact CE2-CB 4.03Å; F956-A1028 HydrophobicContact CZ-CB 3.78Å |
| 957 | R | 86.1 | Confident | 84.6 | Confident | 158 Ų | 158 | 51 Ų | 51 | 60% | 0.596 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -66.8 | -39.1 | 174 | -179 | 176.5 | 176.5 | 163.7 | 0.8 | 112.7 | A931 A953 A954 A955 | A931-R957 HydrophobicContact CB-CG 4.33Å; A953-R957 VanDerWaalsContact O-CB 3.25Å; A953-R957 WeakPolarHBondContact O-CB 3.17Å; A953-R957 PolarHBondContact O-N 3.43Å; A954-R957 WeakPolarHBondContact O-CB 3.37Å; A954-R957 PolarHBondContact O-N 2.9Å; A954-R957 VanDerWaalsContact O-N 3.13Å; A955-R957 VanDerWaalsContact C-N 3.29Å; A955-R957 PolarHBondContact O-N 2.81Å |
| 958 | F | 85.9 | Confident | 84.5 | Confident | 19 Ų | 19 | 48.4 Ų | 48.4 | 8% | 0.083 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -100.4 | -18.4 | -171.3 | -60.5 | -56.7 | 0 | 0 | 0 | 114.7 | A932 A935 R938 A954 A955 | A932-F958 WeakPolarHBondContact CA-O 3.44Å; A932-F958 WeakPolarHBondContact CB-O 3.35Å; A935-F958 HydrophobicContact CB-CD1 4.09Å; R938-F958 VanDerWaalsContact NH2-CE1 3.29Å; A954-F958 HydrophobicContact CB-CD2 4.31Å; A954-F958 HydrophobicContact CB-CE2 4.12Å; A954-F958 WeakPolarHBondContact O-CD2 3.47Å; A954-F958 PolarHBondContact O-N 2.92Å; A955-F958 PolarHBondContact O-N 3.33Å |
| 959 | L | 90.5 | Very high | 84.4 | Confident | 12 Ų | 12 | 47.2 Ų | 47.2 | 6% | 0.063 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -116.2 | -1.5 | -173.9 | -50.9 | -177 | 0 | 0 | 0 | 113.4 | A955 I961 I973 T977 L978 W981 | A955-L959 HydrophobicContact CB-CD1 4.41Å; A955-L959 VanDerWaalsContact O-CB 3.22Å; A955-L959 WeakPolarHBondContact O-CB 3.47Å; A955-L959 VanDerWaalsContact O-CG 3.31Å; A955-L959 WeakPolarHBondContact O-CG 3.3Å; A955-L959 PolarHBondContact O-N 3.42Å; L959-I961 PolarHBondContact O-N 2.92Å; L959-I973 HydrophobicContact CB-CD1 4.42Å; L959-I973 HydrophobicContact CB-CG1 4.27Å; L959-I973 HydrophobicContact CB-CG2 4.02Å; L959-I973 HydrophobicContact CD1-CG2 4.24Å; L959-T977 HydrophobicContact CB-CG2 4.42Å; L959-T977 HydrophobicContact CD1-CG2 4.34Å; L959-T977 HydrophobicContact CD2-CG2 3.7Å; L959-T977 HydrophobicContact CG-CG2 4.36Å; L959-L978 HydrophobicContact CD1-CB 4.39Å; L959-L978 HydrophobicContact CD1-CD1 4.17Å; L959-W981 HydrophobicContact CD1-CB 3.62Å; L959-W981 HydrophobicContact CD1-CD2 4.27Å; L959-W981 HydrophobicContact CD1-CG 3.8Å; L959-W981 HydrophobicContact CD2-CB 4.09Å; L959-W981 HydrophobicContact CD2-CG 4.06Å; L959-W981 HydrophobicContact CG-CB 4.37Å; L959-W981 HydrophobicContact CG-CG 4.24Å |
| 960 | S | 90.7 | Very high | 84.2 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | trans | -65.3 | 127.8 | -174.4 | 173.7 | 0 | 0 | 0 | 0 | 112.2 | T929 F956 M972 | T929-S960 PolarHBondContact N-O 2.77Å; T929-S960 VanDerWaalsContact N-O 3.09Å; T929-S960 PolarHBondContact OG1-O 2.86Å; F956-S960 WeakPolarHBondContact O-CB 3.26Å; F956-S960 PolarHBondContact O-N 3.22Å; S960-M972 VanDerWaalsContact CA-O 3.31Å; S960-M972 WeakPolarHBondContact CA-O 3.41Å | ||
| 961 | I | 90.8 | Very high | 84.2 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 148.8 | 166.1 | 53.1 | 161.9 | 0 | 0 | 0 | 110 | F926 R927 R928 L959 M972 V974 L1025 | F926-I961 HydrophobicContact CB-CB 4.4Å; F926-I961 HydrophobicContact CB-CD1 4.39Å; F926-I961 HydrophobicContact CD2-CD1 3.85Å; F926-I961 HydrophobicContact CE2-CD1 4.38Å; F926-I961 HydrophobicContact CG-CD1 4.2Å; R927-I961 CarbonylContact O-C 3.57Å; R927-I961 WeakPolarHBondContact O-CA 3.48Å; R928-I961 HydrophobicContact CG-CG2 3.84Å; L959-I961 PolarHBondContact O-N 2.92Å; I961-M972 HydrophobicContact CD1-CB 4.46Å; I961-M972 HydrophobicContact CG1-CB 4.06Å; I961-M972 VanDerWaalsContact CG1-O 3.26Å; I961-M972 WeakPolarHBondContact CG1-O 3.45Å; I961-M972 PolarHBondContact N-O 3.45Å; I961-M972 PolarHBondContact O-N 3.12Å; I961-M972 VanDerWaalsContact O-N 3.11Å; I961-V974 HydrophobicContact CD1-CG2 3.57Å; I961-V974 HydrophobicContact CG1-CG2 4.4Å; I961-L1025 HydrophobicContact CD1-CD2 3.51Å |
| 962 | T | 88.3 | Confident | 84.4 | Confident | 46 Ų | 46 | 46.2 Ų | 46.2 | 28% | 0.282 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 150 | -177.9 | 60.1 | 0 | 0 | 0 | 0 | 110 | R927 T929 | R927-T962 PolarHBondContact N-O 3.02Å; R927-T962 PolarHBondContact O-N 2.81Å; R927-T962 PolarHBondContact O-OG1 3.35Å; T929-T962 HydrophobicContact CG2-CG2 3.58Å |
| 963 | S | 84.3 | Confident | 84.6 | Confident | 36 Ų | 36 | 45.5 Ų | 45.5 | 25% | 0.252 | 26% | 0.26 | S | S | . | . | trans | -115.4 | 154.3 | 172 | -169.9 | 0 | 0 | 0 | 0 | 110.4 | N965 | S963-N965 PolarHBondContact OG-N 3.41Å; S963-N965 VanDerWaalsContact OG-N 3.1Å | ||
| 964 | S | 74.8 | Confident | 85 | Confident | 122 Ų | 122 | 42.5 Ų | 42.5 | 85% | 0.853 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -74.3 | -13 | 164.8 | 54.7 | 0 | 0 | 0 | 0 | 112.7 | A966 | S964-A966 PolarHBondContact O-N 3.39Š|
| 965 | N | 74.9 | Confident | 85.3 | Confident | 53 Ų | 53 | 42.1 Ų | 42.1 | 28% | 0.283 | 23% | 0.231 | S | C | . | . | trans | -74 | 108.5 | 176 | -175.1 | -10 | 0 | 0 | 0 | 110.2 | S963 Q967 L968 | S963-N965 PolarHBondContact OG-N 3.41Å; S963-N965 VanDerWaalsContact OG-N 3.1Å; N965-Q967 PolarHBondContact O-N 3.21Å; N965-Q967 VanDerWaalsContact O-N 3.17Å; N965-Q967 WeakPolarHBondContact OD1-CB 3.41Å; N965-Q967 PolarHBondContact OD1-N 3.25Å; N965-L968 HydrophobicContact CB-CD1 3.97Å; N965-L968 HydrophobicContact CB-CG 4.24Å; N965-L968 PolarHBondContact O-N 2.78Å; N965-L968 VanDerWaalsContact O-N 3.08Å | ||
| 966 | A | 66.1 | Low | 85.6 | Confident | 96 Ų | 96 | 42 Ų | 42 | 79% | 0.793 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -16.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S964 L968 | S964-A966 PolarHBondContact O-N 3.39Å; A966-L968 VanDerWaalsContact C-N 3.31Å |
| 967 | Q | 75.2 | Confident | 85.8 | Confident | 101 Ų | 101 | 41.8 Ų | 41.8 | 47% | 0.472 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -26.1 | 174.5 | -62.8 | -175.5 | -2.2 | 0 | 0 | 111.9 | N965 F1039 | N965-Q967 PolarHBondContact O-N 3.21Å; N965-Q967 VanDerWaalsContact O-N 3.17Å; N965-Q967 WeakPolarHBondContact OD1-CB 3.41Å; N965-Q967 PolarHBondContact OD1-N 3.25Å; Q967-F1039 WeakPolarHBondContact O-CD1 3.23Å; Q967-F1039 WeakPolarHBondContact O-CE1 3.4Å |
| 968 | L | 82.9 | Confident | 86.2 | Confident | 12 Ų | 12 | 34.6 Ų | 34.6 | 6% | 0.063 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -79.8 | 153.1 | -177.1 | -65.2 | 171.3 | 0 | 0 | 0 | 111.8 | F926 N965 A966 M972 V1011 L1041 I1044 | F926-L968 HydrophobicContact CE1-CD1 3.98Å; F926-L968 HydrophobicContact CZ-CD1 4.45Å; N965-L968 HydrophobicContact CB-CD1 3.97Å; N965-L968 HydrophobicContact CB-CG 4.24Å; N965-L968 PolarHBondContact O-N 2.78Å; N965-L968 VanDerWaalsContact O-N 3.08Å; A966-L968 VanDerWaalsContact C-N 3.31Å; L968-M972 HydrophobicContact CB-CE 4.02Å; L968-M972 HydrophobicContact CB-SD 4.24Å; L968-M972 HydrophobicContact CD1-CE 4.16Å; L968-V1011 HydrophobicContact CD2-CG1 4.1Å; L968-L1041 HydrophobicContact CD2-CD2 3.61Å; L968-I1044 HydrophobicContact CD1-CD1 3.45Å; L968-I1044 VanDerWaalsContact CD1-CD1 3.45Å; L968-I1044 HydrophobicContact CD2-CD1 3.58Å; L968-I1044 HydrophobicContact CG-CD1 4.1Å |
| 969 | P | 83.9 | Confident | 86.5 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.013 | 20% | 0.2 | C | C | . | . | trans | -52.9 | 143.8 | 172.6 | -26 | 34.6 | 0 | 0 | 0 | 112.3 | R971 M972 V1011 H1027 D1031 F1039 | P969-R971 PolarHBondContact O-N 3.28Å; P969-M972 HydrophobicContact CB-CG 4.04Å; P969-M972 HydrophobicContact CG-CG 4.4Å; P969-V1011 HydrophobicContact CG-CG2 4.37Å; P969-H1027 HydrophobicContact CB-CB 3.76Å; P969-H1027 HydrophobicContact CG-CB 3.93Å; P969-D1031 WeakPolarHBondContact CA-O 3.32Å; P969-F1039 HydrophobicContact CG-CE2 4.47Å; P969-F1039 HydrophobicContact CG-CZ 4.11Å | ||
| 970 | S | 80.1 | Confident | 86.6 | Confident | 66 Ų | 66 | 33.6 Ų | 33.6 | 46% | 0.462 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -63.2 | -31.2 | -174.1 | 76.2 | 0 | 0 | 0 | 0 | 112.6 | D1031 | S970-D1031 PolarHBondContact N-O 3.48Å; S970-D1031 VanDerWaalsContact N-O 3.09Å; S970-D1031 PolarHBondContact OG-OD1 3.41Å; S970-D1031 VanDerWaalsContact OG-OD1 3.14Å |
| 971 | R | 85 | Confident | 86.6 | Confident | 132 Ų | 132 | 34.5 Ų | 34.5 | 50% | 0.498 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -133.4 | 116.7 | 178.9 | -63.7 | 178.2 | -178.2 | 178.9 | 2.6 | 109.9 | F956 P969 | F956-R971 HydrophobicContact CD1-CB 4.3Å; P969-R971 PolarHBondContact O-N 3.28Å |
| 972 | M | 91.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 156.1 | 174.2 | -61.6 | 172.4 | -74.8 | 0 | 0 | 110.1 | F926 S960 I961 L968 P969 V1011 L1025 Y1026 H1027 | F926-M972 HydrophobicContact CE1-CE 4.15Å; S960-M972 VanDerWaalsContact CA-O 3.31Å; S960-M972 WeakPolarHBondContact CA-O 3.41Å; I961-M972 HydrophobicContact CD1-CB 4.46Å; I961-M972 HydrophobicContact CG1-CB 4.06Å; I961-M972 VanDerWaalsContact CG1-O 3.26Å; I961-M972 WeakPolarHBondContact CG1-O 3.45Å; I961-M972 PolarHBondContact N-O 3.45Å; I961-M972 PolarHBondContact O-N 3.12Å; I961-M972 VanDerWaalsContact O-N 3.11Å; L968-M972 HydrophobicContact CB-CE 4.02Å; L968-M972 HydrophobicContact CB-SD 4.24Å; L968-M972 HydrophobicContact CD1-CE 4.16Å; P969-M972 HydrophobicContact CB-CG 4.04Å; P969-M972 HydrophobicContact CG-CG 4.4Å; M972-V1011 HydrophobicContact CG-CG2 4.08Å; M972-V1011 HydrophobicContact SD-CG2 3.93Å; M972-L1025 HydrophobicContact SD-CD1 4.15Å; M972-Y1026 CarbonylContact C-O 3.57Å; M972-Y1026 VanDerWaalsContact CA-O 3.32Å; M972-Y1026 WeakPolarHBondContact CA-O 3.34Å; M972-H1027 HydrophobicContact CG-CB 4.44Å |
| 973 | I | 93.2 | Very high | 86.6 | Confident | 5 Ų | 5 | 34.4 Ų | 34.4 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 142.4 | 172.2 | -62.1 | 176.9 | 0 | 0 | 0 | 108.7 | A955 F956 L959 L978 Y1026 | A955-I973 HydrophobicContact CB-CD1 4.33Å; F956-I973 HydrophobicContact CB-CD1 4.25Å; F956-I973 HydrophobicContact CD1-CD1 3.54Å; F956-I973 HydrophobicContact CD1-CG1 3.69Å; F956-I973 HydrophobicContact CD2-CD1 3.64Å; F956-I973 HydrophobicContact CE1-CD1 3.61Å; F956-I973 HydrophobicContact CE1-CG1 3.64Å; F956-I973 HydrophobicContact CE2-CD1 3.71Å; F956-I973 HydrophobicContact CG-CD1 3.54Å; F956-I973 HydrophobicContact CG-CG1 4.21Å; F956-I973 HydrophobicContact CZ-CD1 3.68Å; F956-I973 HydrophobicContact CZ-CG1 4.12Å; L959-I973 HydrophobicContact CB-CD1 4.42Å; L959-I973 HydrophobicContact CB-CG1 4.27Å; L959-I973 HydrophobicContact CB-CG2 4.02Å; L959-I973 HydrophobicContact CD1-CG2 4.24Å; I973-L978 HydrophobicContact CG2-CB 3.92Å; I973-Y1026 PolarHBondContact N-O 2.97Å; I973-Y1026 PolarHBondContact O-N 3.24Å |
| 974 | V | 94.9 | Very high | 86.7 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 128.1 | 171.1 | -178.7 | 0 | 0 | 0 | 0 | 110.2 | V917 I961 A976 T977 L978 G1022 F1023 V1024 L1025 | V917-V974 HydrophobicContact CG1-CG1 4.01Å; V917-V974 HydrophobicContact CG2-CG1 4.48Å; I961-V974 HydrophobicContact CD1-CG2 3.57Å; I961-V974 HydrophobicContact CG1-CG2 4.4Å; V974-A976 PolarHBondContact O-N 3.27Å; V974-T977 WeakPolarHBondContact O-CB 3.41Å; V974-T977 PolarHBondContact O-N 3.24Å; V974-L978 PolarHBondContact O-N 2.62Å; V974-G1022 VanDerWaalsContact CG1-O 3.29Å; V974-G1022 WeakPolarHBondContact CG1-O 3.4Å; V974-F1023 HydrophobicContact CG1-CD2 3.85Å; V974-F1023 HydrophobicContact CG1-CE2 4.39Å; V974-F1023 HydrophobicContact CG1-CG 4.38Å; V974-F1023 HydrophobicContact CG2-CD2 4.15Å; V974-F1023 HydrophobicContact CG2-CE2 3.85Å; V974-F1023 HydrophobicContact CG2-CZ 4.45Å; V974-V1024 WeakPolarHBondContact CA-O 3.41Å; V974-L1025 HydrophobicContact CG2-CD2 4.16Å |
| 975 | S | 94.8 | Very high | 87.3 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.007 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.1 | -40.9 | -175.6 | 65.7 | 0 | 0 | 0 | 0 | 114.4 | T977 L978 V979 E1020 G1022 V1024 | S975-T977 PolarHBondContact O-N 2.96Å; S975-L978 WeakPolarHBondContact O-CB 3.43Å; S975-L978 PolarHBondContact O-N 3.11Å; S975-V979 WeakPolarHBondContact O-CG2 3.26Å; S975-V979 PolarHBondContact O-N 3.08Å; S975-E1020 WeakPolarHBondContact CB-O 3.38Å; S975-E1020 PolarHBondContact OG-O 3.2Å; S975-G1022 PolarHBondContact OG-N 2.98Å; S975-G1022 PolarHBondContact OG-O 2.88Å; S975-V1024 PolarHBondContact N-O 3.08Å |
| 976 | A | 94.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.6 | -40.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V913 V917 V974 L978 V979 H980 Y1021 G1022 | V913-A976 HydrophobicContact CG1-CB 4.05Å; V917-A976 HydrophobicContact CG2-CB 3.83Å; V974-A976 PolarHBondContact O-N 3.27Å; A976-L978 VanDerWaalsContact C-N 3.33Å; A976-L978 PolarHBondContact O-N 2.85Å; A976-V979 PolarHBondContact O-N 3.3Å; A976-H980 PolarHBondContact O-CD2 3.16Å; A976-H980 PolarHBondContact O-N 3.32Å; A976-H980 PolarHBondContact O-ND1 3.2Å; A976-Y1021 HydrophobicContact CB-CD2 4.16Å; A976-Y1021 HydrophobicContact CB-CE2 3.79Å; A976-G1022 WeakPolarHBondContact CB-O 3.19Å; A976-G1022 PolarHBondContact N-O 3.13Å |
| 977 | T | 93.5 | Very high | 88.8 | Confident | 12 Ų | 12 | 31.3 Ų | 31.3 | 7% | 0.074 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.9 | -38.9 | 176.8 | -52 | 0 | 0 | 0 | 0 | 110.9 | L959 V974 S975 W981 | L959-T977 HydrophobicContact CB-CG2 4.42Å; L959-T977 HydrophobicContact CD1-CG2 4.34Å; L959-T977 HydrophobicContact CD2-CG2 3.7Å; L959-T977 HydrophobicContact CG-CG2 4.36Å; V974-T977 WeakPolarHBondContact O-CB 3.41Å; V974-T977 PolarHBondContact O-N 3.24Å; S975-T977 PolarHBondContact O-N 2.96Å; T977-W981 VanDerWaalsContact O-CB 3.3Å; T977-W981 WeakPolarHBondContact O-CB 3.45Å; T977-W981 PolarHBondContact O-N 3.24Å |
| 978 | L | 94.3 | Very high | 89.5 | Confident | 7 Ų | 7 | 30.4 Ų | 30.4 | 4% | 0.037 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.3 | -48.3 | 173.7 | 179.6 | 61.6 | 0 | 0 | 0 | 111.3 | A955 L959 I973 V974 S975 A976 H980 W981 L982 I1008 F1019 | A955-L978 HydrophobicContact CB-CD1 3.96Å; L959-L978 HydrophobicContact CD1-CB 4.39Å; L959-L978 HydrophobicContact CD1-CD1 4.17Å; I973-L978 HydrophobicContact CG2-CB 3.92Å; V974-L978 PolarHBondContact O-N 2.62Å; S975-L978 WeakPolarHBondContact O-CB 3.43Å; S975-L978 PolarHBondContact O-N 3.11Å; A976-L978 VanDerWaalsContact C-N 3.33Å; A976-L978 PolarHBondContact O-N 2.85Å; L978-H980 PolarHBondContact O-N 3.3Å; L978-W981 HydrophobicContact CD1-CE3 4.48Å; L978-W981 PolarHBondContact O-N 3.28Å; L978-L982 HydrophobicContact CD1-CD1 4.26Å; L978-L982 HydrophobicContact CD1-CG 4.18Å; L978-L982 HydrophobicContact CG-CD1 3.99Å; L978-L982 HydrophobicContact CG-CG 4.36Å; L978-L982 WeakPolarHBondContact O-CB 2.9Å; L978-L982 WeakPolarHBondContact O-CG 3.08Å; L978-L982 PolarHBondContact O-N 2.83Å; L978-I1008 HydrophobicContact CD2-CD1 4.33Å; L978-F1019 HydrophobicContact CD2-CE2 4.26Å; L978-F1019 HydrophobicContact CD2-CZ 4.29Å |
| 979 | V | 93.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.8 | -46.5 | 179.1 | 163.5 | 0 | 0 | 0 | 0 | 111.5 | S975 A976 L982 L983 K992 A995 I996 F1019 Y1021 | S975-V979 WeakPolarHBondContact O-CG2 3.26Å; S975-V979 PolarHBondContact O-N 3.08Å; A976-V979 PolarHBondContact O-N 3.3Å; V979-L982 PolarHBondContact O-N 2.83Å; V979-L983 HydrophobicContact CG1-CD1 4.31Å; V979-L983 WeakPolarHBondContact O-CG 3.45Å; V979-L983 PolarHBondContact O-N 3.25Å; V979-L983 VanDerWaalsContact O-N 3.13Å; V979-K992 HydrophobicContact CG1-CG 4.12Å; V979-A995 HydrophobicContact CB-CB 4.33Å; V979-A995 HydrophobicContact CG1-CB 3.82Å; V979-A995 HydrophobicContact CG2-CB 4.25Å; V979-I996 HydrophobicContact CG2-CG1 4.11Å; V979-F1019 HydrophobicContact CG2-CE1 3.85Å; V979-F1019 HydrophobicContact CG2-CZ 4.17Å; V979-Y1021 HydrophobicContact CB-CD2 3.91Å; V979-Y1021 HydrophobicContact CB-CE2 3.86Å; V979-Y1021 HydrophobicContact CG1-CD2 3.98Å; V979-Y1021 HydrophobicContact CG1-CE2 3.7Å; V979-Y1021 HydrophobicContact CG2-CD2 3.86Å; V979-Y1021 HydrophobicContact CG2-CE2 4.34Å |
| 980 | H | 91.5 | Very high | 89.8 | Confident | 10 Ų | 10 | 34.7 Ų | 34.7 | 5% | 0.046 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.5 | -43.4 | 177.4 | -60.5 | 166.9 | 0 | 0 | 0 | 111.9 | N914 A976 L978 L982 L983 D984 Y1021 | N914-H980 VanDerWaalsContact CG-ND1 3.35Å; N914-H980 PolarHBondContact ND2-ND1 2.83Å; N914-H980 PolarHBondContact OD1-CE1 2.97Å; N914-H980 PolarHBondContact OD1-ND1 3.43Å; A976-H980 PolarHBondContact O-CD2 3.16Å; A976-H980 PolarHBondContact O-N 3.32Å; A976-H980 PolarHBondContact O-ND1 3.2Å; L978-H980 PolarHBondContact O-N 3.3Å; H980-L982 VanDerWaalsContact C-N 3.32Å; H980-L982 PolarHBondContact O-N 2.89Å; H980-L983 PolarHBondContact O-N 3.17Å; H980-D984 PolarHBondContact O-N 2.96Å; H980-Y1021 AromaticContact NE2-CE2 3.97Å; H980-Y1021 AromaticContact NE2-CZ 3.84Å; H980-Y1021 PolarHBondContact NE2-OH 3.14Å |
| 981 | W | 90.5 | Very high | 90.2 | Very high | 22 Ų | 22 | 33.1 Ų | 33.1 | 8% | 0.083 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.2 | -39.5 | 177.1 | -177.6 | 85.2 | 0 | 0 | 0 | 112.5 | Y943 L951 A954 A955 L959 T977 L978 D984 N985 | Y943-W981 HydrophobicContact CD2-CH2 4.02Å; Y943-W981 HydrophobicContact CD2-CZ2 4.1Å; Y943-W981 HydrophobicContact CE2-CH2 4.12Å; Y943-W981 AromaticContact CE2-CZ2 3.81Å; Y943-W981 HydrophobicContact CE2-CZ2 3.81Å; L951-W981 HydrophobicContact CD1-CH2 3.88Å; L951-W981 HydrophobicContact CD1-CZ3 3.79Å; L951-W981 HydrophobicContact CG-CH2 4.34Å; L951-W981 HydrophobicContact CG-CZ3 4.11Å; A954-W981 HydrophobicContact CB-CH2 4.13Å; A954-W981 HydrophobicContact CB-CZ2 4.09Å; A955-W981 HydrophobicContact CB-CE3 4.14Å; A955-W981 HydrophobicContact CB-CH2 4.25Å; A955-W981 HydrophobicContact CB-CZ3 3.92Å; L959-W981 HydrophobicContact CD1-CB 3.62Å; L959-W981 HydrophobicContact CD1-CD2 4.27Å; L959-W981 HydrophobicContact CD1-CG 3.8Å; L959-W981 HydrophobicContact CD2-CB 4.09Å; L959-W981 HydrophobicContact CD2-CG 4.06Å; L959-W981 HydrophobicContact CG-CB 4.37Å; L959-W981 HydrophobicContact CG-CG 4.24Å; T977-W981 VanDerWaalsContact O-CB 3.3Å; T977-W981 WeakPolarHBondContact O-CB 3.45Å; T977-W981 PolarHBondContact O-N 3.24Å; L978-W981 HydrophobicContact CD1-CE3 4.48Å; L978-W981 PolarHBondContact O-N 3.28Å; W981-D984 PolarHBondContact O-N 3.11Å; W981-N985 VanDerWaalsContact CD1-ND2 3.32Å; W981-N985 HydrophobicContact CD2-CB 4.29Å; W981-N985 HydrophobicContact CH2-CB 4.44Å; W981-N985 HydrophobicContact CZ2-CB 4.07Å; W981-N985 PolarHBondContact NE1-ND2 3.07Å; W981-N985 VanDerWaalsContact O-CB 3.27Å; W981-N985 WeakPolarHBondContact O-CB 3.44Å; W981-N985 PolarHBondContact O-N 3.21Å; W981-N985 PolarHBondContact O-ND2 2.96Å |
| 982 | L | 91.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.2 | -43.4 | 176.5 | -71.5 | 169.4 | 0 | 0 | 0 | 111.6 | L951 L978 V979 H980 D984 N985 V986 I989 A995 F998 | L951-L982 HydrophobicContact CD2-CD2 4.09Å; L978-L982 HydrophobicContact CD1-CD1 4.26Å; L978-L982 HydrophobicContact CD1-CG 4.18Å; L978-L982 HydrophobicContact CG-CD1 3.99Å; L978-L982 HydrophobicContact CG-CG 4.36Å; L978-L982 WeakPolarHBondContact O-CB 2.9Å; L978-L982 WeakPolarHBondContact O-CG 3.08Å; L978-L982 PolarHBondContact O-N 2.83Å; V979-L982 PolarHBondContact O-N 2.83Å; H980-L982 VanDerWaalsContact C-N 3.32Å; H980-L982 PolarHBondContact O-N 2.89Å; L982-D984 VanDerWaalsContact C-N 3.27Å; L982-D984 PolarHBondContact O-N 2.87Å; L982-N985 PolarHBondContact O-N 2.98Å; L982-V986 HydrophobicContact CB-CG2 4.47Å; L982-V986 HydrophobicContact CD2-CG2 3.69Å; L982-V986 VanDerWaalsContact O-CB 3.31Å; L982-V986 WeakPolarHBondContact O-CB 3.37Å; L982-V986 PolarHBondContact O-N 2.79Å; L982-I989 HydrophobicContact CB-CD1 4.03Å; L982-I989 HydrophobicContact CB-CG2 4.49Å; L982-I989 HydrophobicContact CD1-CD1 4.33Å; L982-I989 HydrophobicContact CD2-CD1 4.09Å; L982-I989 HydrophobicContact CG-CD1 4.37Å; L982-A995 HydrophobicContact CB-CB 4.37Å; L982-A995 HydrophobicContact CD1-CB 4.42Å; L982-F998 HydrophobicContact CD1-CD1 3.8Å; L982-F998 HydrophobicContact CD1-CE1 4.48Å; L982-F998 HydrophobicContact CD2-CD1 4.01Å; L982-F998 HydrophobicContact CD2-CE1 4.01Å |
| 983 | L | 88.7 | Confident | 90.3 | Very high | 44 Ų | 44 | 35.5 Ų | 35.5 | 23% | 0.23 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.3 | -36.6 | 177.2 | -69.3 | 167.6 | 0 | 0 | 0 | 112.6 | V979 H980 I989 S991 A995 | V979-L983 HydrophobicContact CG1-CD1 4.31Å; V979-L983 WeakPolarHBondContact O-CG 3.45Å; V979-L983 PolarHBondContact O-N 3.25Å; V979-L983 VanDerWaalsContact O-N 3.13Å; H980-L983 PolarHBondContact O-N 3.17Å; L983-I989 HydrophobicContact CD2-CG2 4.11Å; L983-S991 VanDerWaalsContact CD2-C 3.43Å; L983-A995 HydrophobicContact CD2-CB 4.46Å; L983-A995 HydrophobicContact CG-CB 4.42Å |
| 984 | D | 85.8 | Confident | 90.2 | Very high | 88 Ų | 88 | 39.3 Ų | 39.3 | 47% | 0.471 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -84 | -27.6 | -177.8 | -68.2 | -26.1 | 0 | 0 | 0 | 113.3 | Q940 N941 H980 W981 L982 | Q940-D984 WeakPolarHBondContact CA-O 3.36Å; N941-D984 PolarHBondContact N-O 2.65Å; H980-D984 PolarHBondContact O-N 2.96Å; W981-D984 PolarHBondContact O-N 3.11Å; L982-D984 VanDerWaalsContact C-N 3.27Å; L982-D984 PolarHBondContact O-N 2.87Å |
| 985 | N | 87.7 | Confident | 90.1 | Very high | 19 Ų | 19 | 39.2 Ų | 39.2 | 10% | 0.102 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -116.1 | -13.3 | -165.2 | -66.6 | -93.1 | 0 | 0 | 0 | 114.9 | N941 L942 Y943 W981 L982 | N941-N985 CarbonylContact C-O 3.55Å; L942-N985 PolarHBondContact N-O 2.9Å; Y943-N985 HydrophobicContact CD2-CB 4.06Å; Y943-N985 HydrophobicContact CE2-CB 4.45Å; Y943-N985 PolarHBondContact N-O 2.81Å; W981-N985 VanDerWaalsContact CD1-ND2 3.32Å; W981-N985 HydrophobicContact CD2-CB 4.29Å; W981-N985 HydrophobicContact CH2-CB 4.44Å; W981-N985 HydrophobicContact CZ2-CB 4.07Å; W981-N985 PolarHBondContact NE1-ND2 3.07Å; W981-N985 VanDerWaalsContact O-CB 3.27Å; W981-N985 WeakPolarHBondContact O-CB 3.44Å; W981-N985 PolarHBondContact O-N 3.21Å; W981-N985 PolarHBondContact O-ND2 2.96Å; L982-N985 PolarHBondContact O-N 2.98Å |
| 986 | V | 88.4 | Confident | 90 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -114.1 | 118.5 | -174.9 | -174.9 | 0 | 0 | 0 | 0 | 111.3 | I945 L951 L982 E988 I989 | I945-V986 HydrophobicContact CD1-CG1 4.44Å; I945-V986 HydrophobicContact CG1-CG1 3.63Å; L951-V986 HydrophobicContact CD1-CG2 3.48Å; L951-V986 VanDerWaalsContact CD1-CG2 3.48Å; L982-V986 HydrophobicContact CB-CG2 4.47Å; L982-V986 HydrophobicContact CD2-CG2 3.69Å; L982-V986 VanDerWaalsContact O-CB 3.31Å; L982-V986 WeakPolarHBondContact O-CB 3.37Å; L982-V986 PolarHBondContact O-N 2.79Å; V986-E988 VanDerWaalsContact C-N 3.28Å; V986-E988 WeakPolarHBondContact CG1-OE2 3.34Å; V986-E988 PolarHBondContact O-N 3.35Å; V986-I989 HydrophobicContact CB-CB 4.22Å; V986-I989 HydrophobicContact CB-CD1 4.1Å; V986-I989 HydrophobicContact CB-CG1 4.14Å; V986-I989 HydrophobicContact CG1-CB 4.32Å; V986-I989 HydrophobicContact CG1-CD1 3.9Å; V986-I989 HydrophobicContact CG1-CG1 3.8Å; V986-I989 HydrophobicContact CG2-CD1 4.45Å; V986-I989 PolarHBondContact O-N 2.86Å |
| 987 | K | 85.1 | Confident | 89.9 | Confident | 134 Ų | 134 | 44.3 Ų | 44.3 | 58% | 0.583 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -39.1 | -174.7 | -79.9 | 179.2 | -174.2 | -173.3 | 0 | 114.1 | N941 Y943 | N941-K987 HydrophobicContact CB-CD 4.49Å; N941-K987 HydrophobicContact CB-CG 3.54Å; N941-K987 WeakPolarHBondContact O-CE 3.47Å; Y943-K987 PolarHBondContact O-N 3.43Å |
| 988 | E | 89.5 | Confident | 89.9 | Confident | 83 Ų | 83 | 44.3 Ų | 44.3 | 39% | 0.388 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -8.3 | -172.6 | -52.2 | 93.1 | 148.3 | 0 | 0 | 113.5 | T944 I945 V986 Q994 | T944-E988 WeakPolarHBondContact CA-OE1 3.36Å; T944-E988 WeakPolarHBondContact CA-OE2 3.48Å; T944-E988 WeakPolarHBondContact CB-OE1 3.27Å; I945-E988 HydrophobicContact CD1-CB 3.71Å; I945-E988 HydrophobicContact CG1-CB 4.13Å; I945-E988 PolarHBondContact N-OE1 3.1Å; I945-E988 PolarHBondContact N-OE2 2.79Å; V986-E988 VanDerWaalsContact C-N 3.28Å; V986-E988 WeakPolarHBondContact CG1-OE2 3.34Å; V986-E988 PolarHBondContact O-N 3.35Å; E988-Q994 PolarHBondContact O-OE1 2.64Å |
| 989 | I | 87.8 | Confident | 89.9 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | trans | -104.9 | 96.9 | -179 | -58.8 | -179 | 0 | 0 | 0 | 108.4 | I945 L982 L983 V986 Q994 A995 F998 | I945-I989 HydrophobicContact CD1-CD1 4.06Å; I945-I989 HydrophobicContact CD1-CG1 3.68Å; I945-I989 HydrophobicContact CG1-CD1 4.27Å; I945-I989 HydrophobicContact CG1-CG1 4.21Å; L982-I989 HydrophobicContact CB-CD1 4.03Å; L982-I989 HydrophobicContact CB-CG2 4.49Å; L982-I989 HydrophobicContact CD1-CD1 4.33Å; L982-I989 HydrophobicContact CD2-CD1 4.09Å; L982-I989 HydrophobicContact CG-CD1 4.37Å; L983-I989 HydrophobicContact CD2-CG2 4.11Å; V986-I989 HydrophobicContact CB-CB 4.22Å; V986-I989 HydrophobicContact CB-CD1 4.1Å; V986-I989 HydrophobicContact CB-CG1 4.14Å; V986-I989 HydrophobicContact CG1-CB 4.32Å; V986-I989 HydrophobicContact CG1-CD1 3.9Å; V986-I989 HydrophobicContact CG1-CG1 3.8Å; V986-I989 HydrophobicContact CG2-CD1 4.45Å; V986-I989 PolarHBondContact O-N 2.86Å; I989-Q994 HydrophobicContact CG2-CB 4.16Å; I989-A995 HydrophobicContact CG2-CB 3.6Å; I989-F998 HydrophobicContact CD1-CB 3.97Å; I989-F998 HydrophobicContact CD1-CD1 3.93Å; I989-F998 HydrophobicContact CD1-CG 3.95Å | ||
| 990 | S | 85.3 | Confident | 89.9 | Confident | 99 Ų | 99 | 47 Ų | 47 | 69% | 0.692 | 25% | 0.246 | S | C | * | . | trans | -104.1 | -8.3 | -178.9 | 69.1 | 0 | 0 | 0 | 0 | 113.7 | Q994 | S990-Q994 PolarHBondContact OG-OE1 3.17Š| ||
| 991 | S | 88.8 | Confident | 90 | Very high | 33 Ų | 33 | 51 Ų | 51 | 23% | 0.231 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -135.3 | 152 | -179.8 | 78.4 | 0 | 0 | 0 | 0 | 112.9 | L983 Q993 Q994 A995 | L983-S991 VanDerWaalsContact CD2-C 3.43Å; S991-Q993 PolarHBondContact O-N 3.29Å; S991-Q994 WeakPolarHBondContact O-CB 3.36Å; S991-Q994 PolarHBondContact O-N 3.08Å; S991-Q994 WeakPolarHBondContact OG-CG 3.3Å; S991-Q994 PolarHBondContact OG-N 3.19Å; S991-A995 PolarHBondContact O-N 2.88Å |
| 992 | K | 87.8 | Confident | 90.1 | Very high | 47 Ų | 47 | 50 Ų | 50 | 20% | 0.204 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.6 | -40.1 | 176.7 | -176.9 | -178.6 | 68.2 | -174.3 | 0 | 111.8 | Y909 V979 Q994 A995 I996 Y1021 | Y909-K992 HydrophobicContact CE1-CD 4.36Å; V979-K992 HydrophobicContact CG1-CG 4.12Å; K992-Q994 VanDerWaalsContact C-N 3.34Å; K992-Q994 PolarHBondContact O-N 3.24Å; K992-A995 PolarHBondContact O-N 2.85Å; K992-I996 HydrophobicContact CD-CD1 4.44Å; K992-I996 HydrophobicContact CG-CD1 3.9Å; K992-I996 HydrophobicContact CG-CG1 4.45Å; K992-I996 VanDerWaalsContact O-CG1 3.3Å; K992-I996 WeakPolarHBondContact O-CG1 3.41Å; K992-I996 PolarHBondContact O-N 2.86Å; K992-Y1021 HydrophobicContact CD-CE1 4.21Å |
| 993 | Q | 89.3 | Confident | 90.1 | Very high | 135 Ų | 135 | 50.3 Ų | 50.3 | 63% | 0.631 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -63.6 | -39.4 | 177.9 | -66.8 | 85.9 | -10.3 | 0 | 0 | 111.8 | S991 I996 A997 | S991-Q993 PolarHBondContact O-N 3.29Å; Q993-I996 PolarHBondContact O-N 2.86Å; Q993-A997 WeakPolarHBondContact O-CB 3.32Å; Q993-A997 PolarHBondContact O-N 3.5Å |
| 994 | Q | 91.7 | Very high | 90.1 | Very high | 85 Ų | 85 | 52.1 Ų | 52.1 | 40% | 0.397 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 174.4 | -72.2 | 169.8 | -6.7 | 0 | 0 | 111.6 | E988 I989 S990 S991 K992 A997 F998 | E988-Q994 PolarHBondContact O-OE1 2.64Å; I989-Q994 HydrophobicContact CG2-CB 4.16Å; S990-Q994 PolarHBondContact OG-OE1 3.17Å; S991-Q994 WeakPolarHBondContact O-CB 3.36Å; S991-Q994 PolarHBondContact O-N 3.08Å; S991-Q994 WeakPolarHBondContact OG-CG 3.3Å; S991-Q994 PolarHBondContact OG-N 3.19Å; K992-Q994 VanDerWaalsContact C-N 3.34Å; K992-Q994 PolarHBondContact O-N 3.24Å; Q994-A997 PolarHBondContact O-N 2.99Å; Q994-F998 WeakPolarHBondContact O-CB 3.44Å; Q994-F998 PolarHBondContact O-N 2.88Å |
| 995 | A | 92.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | V979 L982 L983 I989 S991 K992 F998 G999 | V979-A995 HydrophobicContact CB-CB 4.33Å; V979-A995 HydrophobicContact CG1-CB 3.82Å; V979-A995 HydrophobicContact CG2-CB 4.25Å; L982-A995 HydrophobicContact CB-CB 4.37Å; L982-A995 HydrophobicContact CD1-CB 4.42Å; L983-A995 HydrophobicContact CD2-CB 4.46Å; L983-A995 HydrophobicContact CG-CB 4.42Å; I989-A995 HydrophobicContact CG2-CB 3.6Å; S991-A995 PolarHBondContact O-N 2.88Å; K992-A995 PolarHBondContact O-N 2.85Å; A995-F998 PolarHBondContact O-N 3.2Å; A995-G999 PolarHBondContact O-N 3.42Å |
| 996 | I | 92.5 | Very high | 90.3 | Very high | 47 Ų | 47 | 52.4 Ų | 52.4 | 24% | 0.241 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.3 | -44.4 | 175.5 | -69 | 170 | 0 | 0 | 0 | 110.7 | V979 K992 Q993 F998 G999 Q1000 F1019 Y1021 | V979-I996 HydrophobicContact CG2-CG1 4.11Å; K992-I996 HydrophobicContact CD-CD1 4.44Å; K992-I996 HydrophobicContact CG-CD1 3.9Å; K992-I996 HydrophobicContact CG-CG1 4.45Å; K992-I996 VanDerWaalsContact O-CG1 3.3Å; K992-I996 WeakPolarHBondContact O-CG1 3.41Å; K992-I996 PolarHBondContact O-N 2.86Å; Q993-I996 PolarHBondContact O-N 2.86Å; I996-F998 VanDerWaalsContact C-N 3.28Å; I996-F998 PolarHBondContact O-N 3.13Å; I996-G999 PolarHBondContact O-N 3.41Å; I996-Q1000 PolarHBondContact O-N 3.35Å; I996-F1019 HydrophobicContact CG2-CD1 4.21Å; I996-Y1021 HydrophobicContact CD1-CG 4.15Å |
| 997 | A | 93.3 | Very high | 90.3 | Very high | 61 Ų | 61 | 57.1 Ų | 57.1 | 50% | 0.504 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.7 | -37.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q993 Q994 Q1000 K1001 | Q993-A997 WeakPolarHBondContact O-CB 3.32Å; Q993-A997 PolarHBondContact O-N 3.5Å; Q994-A997 PolarHBondContact O-N 2.99Å; A997-Q1000 WeakPolarHBondContact O-CB 3.21Å; A997-Q1000 PolarHBondContact O-N 3.39Å; A997-K1001 PolarHBondContact O-N 2.82Å |
| 998 | F | 93.6 | Very high | 90.5 | Very high | 11 Ų | 11 | 50.9 Ų | 50.9 | 5% | 0.048 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.4 | -43.4 | 172.9 | -175.7 | -108.3 | 0 | 0 | 0 | 111.9 | I945 E948 L951 L982 I989 Q994 A995 I996 Q1000 K1001 L1002 | I945-F998 HydrophobicContact CB-CE2 4.49Å; I945-F998 HydrophobicContact CD1-CD2 4.46Å; I945-F998 HydrophobicContact CG2-CD2 3.92Å; I945-F998 HydrophobicContact CG2-CE2 3.47Å; I945-F998 VanDerWaalsContact CG2-CE2 3.47Å; I945-F998 HydrophobicContact CG2-CZ 4.27Å; E948-F998 HydrophobicContact CG-CZ 4.49Å; L951-F998 HydrophobicContact CD2-CE1 3.37Å; L951-F998 HydrophobicContact CD2-CZ 3.48Å; L951-F998 VanDerWaalsContact CD2-CZ 3.48Å; L982-F998 HydrophobicContact CD1-CD1 3.8Å; L982-F998 HydrophobicContact CD1-CE1 4.48Å; L982-F998 HydrophobicContact CD2-CD1 4.01Å; L982-F998 HydrophobicContact CD2-CE1 4.01Å; I989-F998 HydrophobicContact CD1-CB 3.97Å; I989-F998 HydrophobicContact CD1-CD1 3.93Å; I989-F998 HydrophobicContact CD1-CG 3.95Å; Q994-F998 WeakPolarHBondContact O-CB 3.44Å; Q994-F998 PolarHBondContact O-N 2.88Å; A995-F998 PolarHBondContact O-N 3.2Å; I996-F998 VanDerWaalsContact C-N 3.28Å; I996-F998 PolarHBondContact O-N 3.13Å; F998-Q1000 VanDerWaalsContact C-N 3.29Å; F998-Q1000 PolarHBondContact O-N 3.17Å; F998-K1001 HydrophobicContact CD2-CD 4.41Å; F998-K1001 WeakPolarHBondContact O-CB 3.5Å; F998-K1001 PolarHBondContact O-N 3.41Å; F998-K1001 VanDerWaalsContact O-N 3.1Å; F998-L1002 HydrophobicContact CD1-CD1 4.04Å; F998-L1002 HydrophobicContact CD1-CG 4.33Å; F998-L1002 HydrophobicContact CE1-CD1 3.66Å; F998-L1002 HydrophobicContact CE1-CD2 4.11Å; F998-L1002 HydrophobicContact CE1-CG 3.95Å; F998-L1002 HydrophobicContact CE2-CD2 4.4Å; F998-L1002 HydrophobicContact CZ-CD1 4.26Å; F998-L1002 HydrophobicContact CZ-CD2 3.83Å; F998-L1002 HydrophobicContact CZ-CG 4.09Å; F998-L1002 WeakPolarHBondContact O-CG 3.42Å; F998-L1002 PolarHBondContact O-N 3.5Å |
| 999 | G | 93.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.7 | -42.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A995 I996 K1001 L1002 V1003 | A995-G999 PolarHBondContact O-N 3.42Å; I996-G999 PolarHBondContact O-N 3.41Å; G999-K1001 VanDerWaalsContact C-N 3.35Å; G999-K1001 PolarHBondContact O-N 3.01Å; G999-L1002 WeakPolarHBondContact O-CB 3.42Å; G999-L1002 PolarHBondContact O-N 3.49Å; G999-V1003 WeakPolarHBondContact O-CG2 3.12Å; G999-V1003 PolarHBondContact O-N 3.12Å |
| 1000 | Q | 94.5 | Very high | 90.5 | Very high | 64 Ų | 64 | 52.8 Ų | 52.8 | 30% | 0.299 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 174.7 | -176.3 | 60.9 | 59.5 | 0 | 0 | 112.2 | I996 A997 F998 L1002 V1003 S1004 F1017 T1018 F1019 | I996-Q1000 PolarHBondContact O-N 3.35Å; A997-Q1000 WeakPolarHBondContact O-CB 3.21Å; A997-Q1000 PolarHBondContact O-N 3.39Å; F998-Q1000 VanDerWaalsContact C-N 3.29Å; F998-Q1000 PolarHBondContact O-N 3.17Å; Q1000-L1002 VanDerWaalsContact C-N 3.34Å; Q1000-V1003 PolarHBondContact O-N 2.92Å; Q1000-S1004 PolarHBondContact O-N 3.15Å; Q1000-S1004 PolarHBondContact O-OG 3.01Å; Q1000-F1017 PolarHBondContact NE2-O 3.33Å; Q1000-T1018 VanDerWaalsContact OE1-CA 3.3Å; Q1000-F1019 HydrophobicContact CB-CB 4.1Å |
| 1001 | K | 92.9 | Very high | 90.6 | Very high | 94 Ų | 94 | 48.1 Ų | 48.1 | 41% | 0.409 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 173.8 | -175.7 | -174.5 | 175.3 | -171.7 | 0 | 111.6 | A997 F998 G999 V1003 S1004 N1005 | A997-K1001 PolarHBondContact O-N 2.82Å; F998-K1001 HydrophobicContact CD2-CD 4.41Å; F998-K1001 WeakPolarHBondContact O-CB 3.5Å; F998-K1001 PolarHBondContact O-N 3.41Å; F998-K1001 VanDerWaalsContact O-N 3.1Å; G999-K1001 VanDerWaalsContact C-N 3.35Å; G999-K1001 PolarHBondContact O-N 3.01Å; K1001-V1003 VanDerWaalsContact C-N 3.34Å; K1001-V1003 PolarHBondContact O-N 3.01Å; K1001-S1004 WeakPolarHBondContact CA-OG 3.48Å; K1001-S1004 PolarHBondContact O-N 3.11Å; K1001-S1004 PolarHBondContact O-OG 3.02Å; K1001-N1005 VanDerWaalsContact O-CB 3.26Å; K1001-N1005 WeakPolarHBondContact O-CB 3.47Å; K1001-N1005 PolarHBondContact O-N 3.05Å; K1001-N1005 PolarHBondContact O-OD1 2.82Å |
| 1002 | L | 92 | Very high | 90.3 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.4 | -39.7 | 176.6 | -65.4 | 174.9 | 0 | 0 | 0 | 111.9 | E948 L952 F998 G999 Q1000 G1006 R1007 I1008 | E948-L1002 HydrophobicContact CG-CD2 3.73Å; E948-L1002 WeakPolarHBondContact OE1-CD2 3.41Å; L952-L1002 HydrophobicContact CD1-CD2 4.07Å; L952-L1002 HydrophobicContact CD2-CD1 3.9Å; L952-L1002 HydrophobicContact CD2-CD2 4.18Å; L952-L1002 HydrophobicContact CG-CD2 4.29Å; F998-L1002 HydrophobicContact CD1-CD1 4.04Å; F998-L1002 HydrophobicContact CD1-CG 4.33Å; F998-L1002 HydrophobicContact CE1-CD1 3.66Å; F998-L1002 HydrophobicContact CE1-CD2 4.11Å; F998-L1002 HydrophobicContact CE1-CG 3.95Å; F998-L1002 HydrophobicContact CE2-CD2 4.4Å; F998-L1002 HydrophobicContact CZ-CD1 4.26Å; F998-L1002 HydrophobicContact CZ-CD2 3.83Å; F998-L1002 HydrophobicContact CZ-CG 4.09Å; F998-L1002 WeakPolarHBondContact O-CG 3.42Å; F998-L1002 PolarHBondContact O-N 3.5Å; G999-L1002 WeakPolarHBondContact O-CB 3.42Å; G999-L1002 PolarHBondContact O-N 3.49Å; Q1000-L1002 VanDerWaalsContact C-N 3.34Å; L1002-G1006 PolarHBondContact O-N 3.45Å; L1002-R1007 HydrophobicContact CD2-CB 4.38Å; L1002-R1007 WeakPolarHBondContact O-CB 3.08Å; L1002-R1007 PolarHBondContact O-N 2.68Å; L1002-I1008 HydrophobicContact CB-CD1 3.82Å; L1002-I1008 HydrophobicContact CB-CG1 3.81Å; L1002-I1008 HydrophobicContact CD1-CD1 4.22Å; L1002-I1008 PolarHBondContact O-N 3.08Å |
| 1003 | V | 91 | Very high | 89.5 | Confident | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.3 | -47.4 | 175.3 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | G999 Q1000 K1001 N1005 G1006 I1008 F1017 F1019 Y1026 | G999-V1003 WeakPolarHBondContact O-CG2 3.12Å; G999-V1003 PolarHBondContact O-N 3.12Å; Q1000-V1003 PolarHBondContact O-N 2.92Å; K1001-V1003 VanDerWaalsContact C-N 3.34Å; K1001-V1003 PolarHBondContact O-N 3.01Å; V1003-N1005 VanDerWaalsContact C-N 3.27Å; V1003-N1005 PolarHBondContact O-N 2.79Å; V1003-G1006 PolarHBondContact O-N 3.47Å; V1003-I1008 HydrophobicContact CG2-CD1 4.04Å; V1003-I1008 HydrophobicContact CG2-CG1 3.77Å; V1003-F1017 HydrophobicContact CG1-CB 4.2Å; V1003-F1017 HydrophobicContact CG1-CD1 4.5Å; V1003-F1017 WeakPolarHBondContact CG1-O 3.36Å; V1003-F1019 HydrophobicContact CG2-CB 4.14Å; V1003-F1019 HydrophobicContact CG2-CD2 3.94Å; V1003-Y1026 HydrophobicContact CG2-CD1 4.07Å; V1003-Y1026 HydrophobicContact CG2-CE1 3.65Å |
| 1004 | S | 90.3 | Very high | 88.7 | Confident | 82 Ų | 82 | 49.3 Ų | 49.3 | 57% | 0.573 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -63.7 | -33.4 | 179.9 | 62.5 | 0 | 0 | 0 | 0 | 112.7 | Q1000 K1001 G1006 | Q1000-S1004 PolarHBondContact O-N 3.15Å; Q1000-S1004 PolarHBondContact O-OG 3.01Å; K1001-S1004 WeakPolarHBondContact CA-OG 3.48Å; K1001-S1004 PolarHBondContact O-N 3.11Å; K1001-S1004 PolarHBondContact O-OG 3.02Å; S1004-G1006 PolarHBondContact O-N 2.83Å |
| 1005 | N | 90 | Very high | 87.5 | Confident | 85 Ų | 85 | 47 Ų | 47 | 46% | 0.455 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -1.1 | 175.2 | -68 | -1.1 | 0 | 0 | 0 | 112.8 | K1001 V1003 R1007 | K1001-N1005 VanDerWaalsContact O-CB 3.26Å; K1001-N1005 WeakPolarHBondContact O-CB 3.47Å; K1001-N1005 PolarHBondContact O-N 3.05Å; K1001-N1005 PolarHBondContact O-OD1 2.82Å; V1003-N1005 VanDerWaalsContact C-N 3.27Å; V1003-N1005 PolarHBondContact O-N 2.79Å; N1005-R1007 HydrophobicContact CB-CG 3.91Å; N1005-R1007 PolarHBondContact O-N 3.31Å |
| 1006 | G | 86.7 | Confident | 86.4 | Confident | 28 Ų | 28 | 51.2 Ų | 51.2 | 29% | 0.289 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 20.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | L1002 V1003 S1004 P1029 | L1002-G1006 PolarHBondContact O-N 3.45Å; V1003-G1006 PolarHBondContact O-N 3.47Å; S1004-G1006 PolarHBondContact O-N 2.83Å; G1006-P1029 WeakPolarHBondContact O-CG 3.4Å |
| 1007 | R | 88.4 | Confident | 85.5 | Confident | 100 Ų | 100 | 56.3 Ų | 56.3 | 38% | 0.377 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -85.9 | -24 | -176.4 | -69.5 | -92.5 | -166 | -169 | 7.2 | 113.1 | E948 E949 L952 L1002 N1005 P1029 | E948-R1007 WeakPolarHBondContact OE1-CD 3.44Å; E948-R1007 WeakPolarHBondContact OE1-CG 3.4Å; E948-R1007 IonicContact OE1-NE 3.59Å; E949-R1007 IonicContact OE1-CZ 3.37Å; E949-R1007 IonicContact OE1-NH1 3.6Å; E949-R1007 PolarHBondContact OE1-NH1 3.34Å; E949-R1007 IonicContact OE1-NH2 3.67Å; E949-R1007 PolarHBondContact OE1-NH2 3.38Å; L952-R1007 HydrophobicContact CD1-CB 3.88Å; L1002-R1007 HydrophobicContact CD2-CB 4.38Å; L1002-R1007 WeakPolarHBondContact O-CB 3.08Å; L1002-R1007 PolarHBondContact O-N 2.68Å; N1005-R1007 HydrophobicContact CB-CG 3.91Å; N1005-R1007 PolarHBondContact O-N 3.31Å; R1007-P1029 WeakPolarHBondContact O-CD 3.28Å |
| 1008 | I | 90.4 | Very high | 85.1 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.015 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -134 | 151.1 | 162.7 | 63.4 | -179.3 | 0 | 0 | 0 | 108.3 | L952 F956 L978 L1002 V1003 F1019 Y1026 H1027 | L952-I1008 HydrophobicContact CD2-CG2 3.98Å; F956-I1008 HydrophobicContact CE2-CG2 3.9Å; F956-I1008 HydrophobicContact CZ-CG2 4.06Å; L978-I1008 HydrophobicContact CD2-CD1 4.33Å; L1002-I1008 HydrophobicContact CB-CD1 3.82Å; L1002-I1008 HydrophobicContact CB-CG1 3.81Å; L1002-I1008 HydrophobicContact CD1-CD1 4.22Å; L1002-I1008 PolarHBondContact O-N 3.08Å; V1003-I1008 HydrophobicContact CG2-CD1 4.04Å; V1003-I1008 HydrophobicContact CG2-CG1 3.77Å; I1008-F1019 HydrophobicContact CD1-CD2 4.29Å; I1008-F1019 HydrophobicContact CD1-CE2 4.12Å; I1008-Y1026 HydrophobicContact CD1-CD1 4.12Å; I1008-Y1026 HydrophobicContact CD1-CG 4.31Å; I1008-Y1026 HydrophobicContact CG1-CD1 4.18Å; I1008-H1027 CarbonylContact C-O 3.57Å; I1008-H1027 WeakPolarHBondContact CA-O 3.44Å |
| 1009 | R | 87.5 | Confident | 85 | Confident | 111 Ų | 111 | 56.3 Ų | 56.3 | 42% | 0.419 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 142.3 | 177.6 | -64 | -177.8 | -176.2 | 171.4 | -0.5 | 110.2 | Y1026 H1027 | R1009-Y1026 CarbonylContact O-C 3.43Å; R1009-Y1026 VanDerWaalsContact O-CA 3.24Å; R1009-Y1026 WeakPolarHBondContact O-CA 3.21Å; R1009-H1027 PolarHBondContact N-O 3Å; R1009-H1027 PolarHBondContact O-CD2 2.66Å; R1009-H1027 PolarHBondContact O-N 3.37Å |
| 1010 | P | 89 | Confident | 84.9 | Confident | 15 Ų | 15 | 58.7 Ų | 58.7 | 10% | 0.097 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 139.1 | 172.5 | 27.9 | -32.9 | 0 | 0 | 0 | 109.2 | R1012 Y1026 | P1010-R1012 VanDerWaalsContact C-N 3.29Å; P1010-Y1026 HydrophobicContact CB-CD1 4.22Å; P1010-Y1026 HydrophobicContact CB-CE1 3.83Å; P1010-Y1026 HydrophobicContact CG-CE1 4.45Å |
| 1011 | V | 86.2 | Confident | 84.8 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -66.7 | -37.2 | 176.3 | 176.6 | 0 | 0 | 0 | 0 | 110.2 | L968 P969 M972 L1025 H1027 F1039 L1041 | L968-V1011 HydrophobicContact CD2-CG1 4.1Å; P969-V1011 HydrophobicContact CG-CG2 4.37Å; M972-V1011 HydrophobicContact CG-CG2 4.08Å; M972-V1011 HydrophobicContact SD-CG2 3.93Å; V1011-L1025 HydrophobicContact CB-CB 3.97Å; V1011-L1025 HydrophobicContact CG2-CB 3.66Å; V1011-L1025 PolarHBondContact N-O 2.97Å; V1011-H1027 HydrophobicContact CG2-CB 4.34Å; V1011-F1039 HydrophobicContact CG1-CD2 4.3Å; V1011-F1039 WeakPolarHBondContact O-CD2 3.46Å; V1011-L1041 HydrophobicContact CG1-CD1 4.27Å; V1011-L1041 HydrophobicContact CG1-CD2 3.86Å |
| 1012 | R | 84.2 | Confident | 84.8 | Confident | 19 Ų | 19 | 52 Ų | 52 | 7% | 0.072 | 27% | 0.273 | C | S | . | . | trans | -87.7 | 119.9 | 176.4 | -159.8 | 179.5 | -87.6 | 162.2 | -3.8 | 111.3 | P1010 D1014 L1041 I1044 E1046 | P1010-R1012 VanDerWaalsContact C-N 3.29Å; R1012-D1014 WeakPolarHBondContact CD-OD1 3.24Å; R1012-D1014 WeakPolarHBondContact CG-OD1 3.38Å; R1012-L1041 HydrophobicContact CB-CD1 3.62Å; R1012-L1041 HydrophobicContact CG-CD1 3.58Å; R1012-L1041 PolarHBondContact NH2-O 2.85Å; R1012-I1044 PolarHBondContact NH2-O 2.85Å; R1012-E1046 IonicContact CZ-OE2 2.77Å; R1012-E1046 IonicContact NE-OE2 3.66Å; R1012-E1046 IonicContact NH1-OE2 3.67Å | ||
| 1013 | T | 71.4 | Confident | 84.9 | Confident | 101 Ų | 101 | 52 Ų | 52 | 62% | 0.62 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -7.7 | -172.2 | 56.4 | 0 | 0 | 0 | 0 | 114.7 | R1015 | T1013-R1015 PolarHBondContact O-N 2.93Š|
| 1014 | D | 71.5 | Confident | 85.1 | Confident | 121 Ų | 121 | 51.8 Ų | 51.8 | 65% | 0.647 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -7.3 | 177.4 | 68.8 | -10.6 | 0 | 0 | 0 | 113.1 | R1012 | R1012-D1014 WeakPolarHBondContact CD-OD1 3.24Å; R1012-D1014 WeakPolarHBondContact CG-OD1 3.38Å |
| 1015 | R | 66.4 | Low | 85.2 | Confident | 37 Ų | 37 | 47.9 Ų | 47.9 | 14% | 0.14 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -97.3 | 150.8 | -178.4 | -58.6 | -162.3 | -172.5 | 164.4 | 13.6 | 112.1 | T1013 E1020 E1046 | T1013-R1015 PolarHBondContact O-N 2.93Å; R1015-E1020 IonicContact CZ-OE2 2.76Å; R1015-E1020 IonicContact NH1-OE2 2.9Å; R1015-E1020 PolarHBondContact NH1-OE2 2.96Å; R1015-E1046 IonicContact CZ-OE2 3.67Å; R1015-E1046 IonicContact NE-OE2 3.74Å; R1015-E1046 IonicContact NH1-OE2 2.57Å; R1015-E1046 IonicContact NH2-OE2 3.76Å; R1015-E1046 PolarHBondContact NH2-OE2 3.4Å |
| 1016 | P | 68.5 | Low | 85.3 | Confident | 87 Ų | 87 | 44.1 Ų | 44.1 | 57% | 0.565 | 22% | 0.223 | S | C | * | . | trans | -56.3 | 156.7 | 165.6 | 23.2 | -31 | 0 | 0 | 0 | 111 | T1018 | P1016-T1018 HydrophobicContact CB-CG2 4.25Å; P1016-T1018 HydrophobicContact CG-CG2 4.4Å; P1016-T1018 PolarHBondContact O-N 2.9Å; P1016-T1018 PolarHBondContact O-OG1 3Å | ||
| 1017 | F | 74.8 | Confident | 85.4 | Confident | 154 Ų | 154 | 43.8 Ų | 43.8 | 68% | 0.675 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -69.2 | 45.8 | 176.4 | -70.3 | -82.5 | 0 | 0 | 0 | 112.9 | Q1000 V1003 | Q1000-F1017 PolarHBondContact NE2-O 3.33Å; V1003-F1017 HydrophobicContact CG1-CB 4.2Å; V1003-F1017 HydrophobicContact CG1-CD1 4.5Å; V1003-F1017 WeakPolarHBondContact CG1-O 3.36Å |
| 1018 | T | 85 | Confident | 85.3 | Confident | 60 Ų | 60 | 40 Ų | 40 | 37% | 0.368 | 20% | 0.204 | S | C | . | . | trans | -103.1 | 135.7 | 178.5 | 51.4 | 0 | 0 | 0 | 0 | 110.5 | Q1000 P1016 E1020 Y1026 | Q1000-T1018 VanDerWaalsContact OE1-CA 3.3Å; P1016-T1018 HydrophobicContact CB-CG2 4.25Å; P1016-T1018 HydrophobicContact CG-CG2 4.4Å; P1016-T1018 PolarHBondContact O-N 2.9Å; P1016-T1018 PolarHBondContact O-OG1 3Å; T1018-E1020 PolarHBondContact O-N 3.38Å; T1018-Y1026 PolarHBondContact O-OH 2.96Å; T1018-Y1026 VanDerWaalsContact O-OH 3.13Å | ||
| 1019 | F | 91.3 | Very high | 84.7 | Confident | 12 Ų | 12 | 42.8 Ų | 42.8 | 5% | 0.053 | 22% | 0.222 | C | C | . | . | trans | -79.4 | 113.4 | 175.4 | -174.7 | -94.7 | 0 | 0 | 0 | 110.2 | L978 V979 I996 Q1000 V1003 I1008 Y1026 | L978-F1019 HydrophobicContact CD2-CE2 4.26Å; L978-F1019 HydrophobicContact CD2-CZ 4.29Å; V979-F1019 HydrophobicContact CG2-CE1 3.85Å; V979-F1019 HydrophobicContact CG2-CZ 4.17Å; I996-F1019 HydrophobicContact CG2-CD1 4.21Å; Q1000-F1019 HydrophobicContact CB-CB 4.1Å; V1003-F1019 HydrophobicContact CG2-CB 4.14Å; V1003-F1019 HydrophobicContact CG2-CD2 3.94Å; I1008-F1019 HydrophobicContact CD1-CD2 4.29Å; I1008-F1019 HydrophobicContact CD1-CE2 4.12Å; F1019-Y1026 WeakPolarHBondContact CA-OH 3.46Å; F1019-Y1026 HydrophobicContact CD2-CE1 4.07Å; F1019-Y1026 HydrophobicContact CD2-CE2 4.05Å; F1019-Y1026 AromaticContact CD2-CZ 3.8Å; F1019-Y1026 HydrophobicContact CE2-CD2 4.27Å; F1019-Y1026 HydrophobicContact CE2-CE2 4.06Å | ||
| 1020 | E | 90.2 | Very high | 84 | Confident | 51 Ų | 51 | 41.3 Ų | 41.3 | 24% | 0.238 | 24% | 0.242 | C | C | . | . | trans | -104.1 | 125.6 | -179.1 | -68.2 | -173.3 | 156.2 | 0 | 0 | 111 | S975 R1015 T1018 V1024 Y1026 | S975-E1020 WeakPolarHBondContact CB-O 3.38Å; S975-E1020 PolarHBondContact OG-O 3.2Å; R1015-E1020 IonicContact CZ-OE2 2.76Å; R1015-E1020 IonicContact NH1-OE2 2.9Å; R1015-E1020 PolarHBondContact NH1-OE2 2.96Å; T1018-E1020 PolarHBondContact O-N 3.38Å; E1020-V1024 HydrophobicContact CB-CG2 4.09Å; E1020-Y1026 PolarHBondContact N-OH 3.31Å; E1020-Y1026 VanDerWaalsContact N-OH 3.11Å | ||
| 1021 | Y | 92.1 | Very high | 82.8 | Confident | 18 Ų | 18 | 43 Ų | 43 | 7% | 0.071 | 25% | 0.25 | C | S | . | . | trans | -77.1 | 122.1 | 176.7 | 174 | -109.6 | 0 | 0 | 0 | 111 | Y909 A976 V979 H980 K992 I996 V1049 | Y909-Y1021 HydrophobicContact CE1-CE1 4.44Å; A976-Y1021 HydrophobicContact CB-CD2 4.16Å; A976-Y1021 HydrophobicContact CB-CE2 3.79Å; V979-Y1021 HydrophobicContact CB-CD2 3.91Å; V979-Y1021 HydrophobicContact CB-CE2 3.86Å; V979-Y1021 HydrophobicContact CG1-CD2 3.98Å; V979-Y1021 HydrophobicContact CG1-CE2 3.7Å; V979-Y1021 HydrophobicContact CG2-CD2 3.86Å; V979-Y1021 HydrophobicContact CG2-CE2 4.34Å; H980-Y1021 AromaticContact NE2-CE2 3.97Å; H980-Y1021 AromaticContact NE2-CZ 3.84Å; H980-Y1021 PolarHBondContact NE2-OH 3.14Å; K992-Y1021 HydrophobicContact CD-CE1 4.21Å; I996-Y1021 HydrophobicContact CD1-CG 4.15Å; Y1021-V1049 HydrophobicContact CD1-CB 3.76Å; Y1021-V1049 HydrophobicContact CD1-CG1 4.07Å; Y1021-V1049 HydrophobicContact CE1-CB 3.76Å; Y1021-V1049 HydrophobicContact CE1-CG1 3.64Å; Y1021-V1049 PolarHBondContact O-N 3.18Å | ||
| 1022 | G | 93.5 | Very high | 81.5 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 156.6 | -148.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V974 S975 A976 V1024 V1049 | V974-G1022 VanDerWaalsContact CG1-O 3.29Å; V974-G1022 WeakPolarHBondContact CG1-O 3.4Å; S975-G1022 PolarHBondContact OG-N 2.98Å; S975-G1022 PolarHBondContact OG-O 2.88Å; A976-G1022 WeakPolarHBondContact CB-O 3.19Å; A976-G1022 PolarHBondContact N-O 3.13Å; G1022-V1024 VanDerWaalsContact C-N 3.26Å; G1022-V1024 PolarHBondContact O-N 2.89Å; G1022-V1024 VanDerWaalsContact O-N 3.15Å; G1022-V1049 VanDerWaalsContact CA-CG2 3.49Å |
| 1023 | F | 95.1 | Very high | 80.1 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 74.9 | 166.7 | -165.1 | -91.5 | 0 | 0 | 0 | 109.5 | V917 M920 E921 N924 F926 V974 L1025 V1045 E1046 V1047 | V917-F1023 HydrophobicContact CB-CD2 4.5Å; V917-F1023 HydrophobicContact CG1-CD2 4.1Å; V917-F1023 HydrophobicContact CG1-CE2 4.48Å; M920-F1023 HydrophobicContact CB-CB 4.14Å; M920-F1023 HydrophobicContact CB-CD1 3.87Å; M920-F1023 HydrophobicContact CB-CD2 3.34Å; M920-F1023 HydrophobicContact CB-CE1 4.07Å; M920-F1023 HydrophobicContact CB-CE2 3.55Å; M920-F1023 HydrophobicContact CB-CG 3.49Å; M920-F1023 VanDerWaalsContact CB-CG 3.49Å; M920-F1023 HydrophobicContact CB-CZ 3.9Å; M920-F1023 HydrophobicContact CE-CD1 4.47Å; M920-F1023 HydrophobicContact CG-CB 4.19Å; M920-F1023 HydrophobicContact CG-CD2 4.26Å; M920-F1023 HydrophobicContact CG-CG 4.07Å; E921-F1023 HydrophobicContact CG-CE2 3.84Å; E921-F1023 HydrophobicContact CG-CZ 4.47Å; N924-F1023 WeakPolarHBondContact ND2-CE1 3.48Å; F926-F1023 HydrophobicContact CD2-CE1 4.49Å; F926-F1023 AromaticContact CD2-CZ 3.87Å; F926-F1023 HydrophobicContact CD2-CZ 3.87Å; F926-F1023 HydrophobicContact CE2-CE1 4.16Å; F926-F1023 HydrophobicContact CE2-CZ 4Å; V974-F1023 HydrophobicContact CG1-CD2 3.85Å; V974-F1023 HydrophobicContact CG1-CE2 4.39Å; V974-F1023 HydrophobicContact CG1-CG 4.38Å; V974-F1023 HydrophobicContact CG2-CD2 4.15Å; V974-F1023 HydrophobicContact CG2-CE2 3.85Å; V974-F1023 HydrophobicContact CG2-CZ 4.45Å; F1023-L1025 HydrophobicContact CE1-CD2 4.49Å; F1023-V1045 VanDerWaalsContact CD1-O 3.31Å; F1023-V1045 WeakPolarHBondContact CD1-O 3.09Å; F1023-V1045 WeakPolarHBondContact CE1-O 3.49Å; F1023-E1046 CarbonylContact O-C 3.58Å; F1023-E1046 VanDerWaalsContact O-CA 3.22Å; F1023-E1046 WeakPolarHBondContact O-CA 3.43Å; F1023-E1046 WeakPolarHBondContact O-CB 3.13Å; F1023-V1047 PolarHBondContact N-O 2.92Å; F1023-V1047 PolarHBondContact O-N 3.2Å |
| 1024 | V | 93.7 | Very high | 79.3 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.012 | 30% | 0.301 | C | S | . | . | trans | -127 | 133.1 | 179.2 | -174.8 | 0 | 0 | 0 | 0 | 108.6 | V974 S975 E1020 G1022 Y1026 | V974-V1024 WeakPolarHBondContact CA-O 3.41Å; S975-V1024 PolarHBondContact N-O 3.08Å; E1020-V1024 HydrophobicContact CB-CG2 4.09Å; G1022-V1024 VanDerWaalsContact C-N 3.26Å; G1022-V1024 PolarHBondContact O-N 2.89Å; G1022-V1024 VanDerWaalsContact O-N 3.15Å; V1024-Y1026 HydrophobicContact CB-CE2 4.06Å; V1024-Y1026 HydrophobicContact CG1-CD2 4.41Å; V1024-Y1026 HydrophobicContact CG1-CE2 3.64Å | ||
| 1025 | L | 93 | Very high | 78.1 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 130.2 | -170.7 | -58.2 | 176.1 | 0 | 0 | 0 | 111.4 | F926 I961 M972 V974 V1011 F1023 I1044 E1046 | F926-L1025 HydrophobicContact CE2-CD1 3.8Å; F926-L1025 HydrophobicContact CE2-CD2 4.09Å; F926-L1025 HydrophobicContact CZ-CD1 3.74Å; I961-L1025 HydrophobicContact CD1-CD2 3.51Å; M972-L1025 HydrophobicContact SD-CD1 4.15Å; V974-L1025 HydrophobicContact CG2-CD2 4.16Å; V1011-L1025 HydrophobicContact CB-CB 3.97Å; V1011-L1025 HydrophobicContact CG2-CB 3.66Å; V1011-L1025 PolarHBondContact N-O 2.97Å; F1023-L1025 HydrophobicContact CE1-CD2 4.49Å; L1025-I1044 HydrophobicContact CD1-CG2 3.8Å; L1025-E1046 WeakPolarHBondContact CB-OE1 3.38Å; L1025-E1046 PolarHBondContact N-OE1 2.66Å |
| 1026 | Y | 92.3 | Very high | 77 | Confident | 6 Ų | 6 | 63 Ų | 63 | 2% | 0.024 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 149.8 | 172.4 | -68.8 | -96.5 | 0 | 0 | 0 | 110.3 | M972 I973 V1003 I1008 R1009 P1010 T1018 F1019 E1020 V1024 | M972-Y1026 CarbonylContact C-O 3.57Å; M972-Y1026 VanDerWaalsContact CA-O 3.32Å; M972-Y1026 WeakPolarHBondContact CA-O 3.34Å; I973-Y1026 PolarHBondContact N-O 2.97Å; I973-Y1026 PolarHBondContact O-N 3.24Å; V1003-Y1026 HydrophobicContact CG2-CD1 4.07Å; V1003-Y1026 HydrophobicContact CG2-CE1 3.65Å; I1008-Y1026 HydrophobicContact CD1-CD1 4.12Å; I1008-Y1026 HydrophobicContact CD1-CG 4.31Å; I1008-Y1026 HydrophobicContact CG1-CD1 4.18Å; R1009-Y1026 CarbonylContact O-C 3.43Å; R1009-Y1026 VanDerWaalsContact O-CA 3.24Å; R1009-Y1026 WeakPolarHBondContact O-CA 3.21Å; P1010-Y1026 HydrophobicContact CB-CD1 4.22Å; P1010-Y1026 HydrophobicContact CB-CE1 3.83Å; P1010-Y1026 HydrophobicContact CG-CE1 4.45Å; T1018-Y1026 PolarHBondContact O-OH 2.96Å; T1018-Y1026 VanDerWaalsContact O-OH 3.13Å; F1019-Y1026 WeakPolarHBondContact CA-OH 3.46Å; F1019-Y1026 HydrophobicContact CD2-CE1 4.07Å; F1019-Y1026 HydrophobicContact CD2-CE2 4.05Å; F1019-Y1026 AromaticContact CD2-CZ 3.8Å; F1019-Y1026 HydrophobicContact CE2-CD2 4.27Å; F1019-Y1026 HydrophobicContact CE2-CE2 4.06Å; E1020-Y1026 PolarHBondContact N-OH 3.31Å; E1020-Y1026 VanDerWaalsContact N-OH 3.11Å; V1024-Y1026 HydrophobicContact CB-CE2 4.06Å; V1024-Y1026 HydrophobicContact CG1-CD2 4.41Å; V1024-Y1026 HydrophobicContact CG1-CE2 3.64Å |
| 1027 | H | 89.7 | Confident | 76.3 | Confident | 22 Ų | 22 | 63.3 Ų | 63.3 | 10% | 0.102 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 160.9 | 177.6 | 73 | 92.8 | 0 | 0 | 0 | 111.6 | P969 M972 I1008 R1009 V1011 | P969-H1027 HydrophobicContact CB-CB 3.76Å; P969-H1027 HydrophobicContact CG-CB 3.93Å; M972-H1027 HydrophobicContact CG-CB 4.44Å; I1008-H1027 CarbonylContact C-O 3.57Å; I1008-H1027 WeakPolarHBondContact CA-O 3.44Å; R1009-H1027 PolarHBondContact N-O 3Å; R1009-H1027 PolarHBondContact O-CD2 2.66Å; R1009-H1027 PolarHBondContact O-N 3.37Å; V1011-H1027 HydrophobicContact CG2-CB 4.34Å |
| 1028 | A | 86.2 | Confident | 75.6 | Confident | 20 Ų | 20 | 60 Ų | 60 | 17% | 0.165 | 36% | 0.355 | C | S | . | . | trans | -77.5 | 148.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | F956 G1030 D1031 | F956-A1028 HydrophobicContact CE1-CB 4.1Å; F956-A1028 HydrophobicContact CE2-CB 4.03Å; F956-A1028 HydrophobicContact CZ-CB 3.78Å; A1028-G1030 PolarHBondContact O-N 2.75Å; A1028-D1031 PolarHBondContact O-N 2.68Å | ||
| 1029 | P | 76.4 | Confident | 74.7 | Confident | 61 Ų | 61 | 59.4 Ų | 59.4 | 40% | 0.396 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 131.9 | 171.4 | -20.4 | 30.5 | 0 | 0 | 0 | 111.2 | G1006 R1007 | G1006-P1029 WeakPolarHBondContact O-CG 3.4Å; R1007-P1029 WeakPolarHBondContact O-CD 3.28Å |
| 1030 | G | 72.9 | Confident | 73.7 | Confident | 80 Ų | 80 | 62.4 Ų | 62.4 | 83% | 0.825 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.3 | -10.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | A1028 G1032 | A1028-G1030 PolarHBondContact O-N 2.75Å; G1030-G1032 VanDerWaalsContact C-N 3.31Å; G1030-G1032 PolarHBondContact O-N 3.05Å |
| 1031 | D | 64.7 | Low | 73.2 | Confident | 51 Ų | 51 | 60.9 Ų | 60.9 | 27% | 0.273 | 36% | 0.358 | S | S | . | . | trans | -88.9 | 26 | -173.1 | -118.3 | -15 | 0 | 0 | 0 | 115.1 | P969 S970 A1028 | P969-D1031 WeakPolarHBondContact CA-O 3.32Å; S970-D1031 PolarHBondContact N-O 3.48Å; S970-D1031 VanDerWaalsContact N-O 3.09Å; S970-D1031 PolarHBondContact OG-OD1 3.41Å; S970-D1031 VanDerWaalsContact OG-OD1 3.14Å; A1028-D1031 PolarHBondContact O-N 2.68Å | ||
| 1032 | G | 59 | Low | 72.5 | Confident | 33 Ų | 33 | 61.8 Ų | 61.8 | 34% | 0.34 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -141.9 | 167.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G1030 K1034 | G1030-G1032 VanDerWaalsContact C-N 3.31Å; G1030-G1032 PolarHBondContact O-N 3.05Å; G1032-K1034 PolarHBondContact O-N 2.77Å |
| 1033 | P | 55.4 | Low | 72 | Confident | 82 Ų | 82 | 64.4 Ų | 64.4 | 53% | 0.532 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -55 | 136.3 | 176.5 | 22 | -30.7 | 0 | 0 | 0 | 110.2 | E1035 F1039 | P1033-E1035 PolarHBondContact O-N 3.2Å; P1033-F1039 HydrophobicContact CG-CE1 4.34Å |
| 1034 | K | 53.7 | Low | 71.7 | Confident | 206 Ų | 206 | 64.8 Ų | 64.8 | 90% | 0.896 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -48.5 | 97.2 | -173.8 | -69.6 | -178.7 | 177 | 179.4 | 0 | 112.2 | G1032 K1036 | G1032-K1034 PolarHBondContact O-N 2.77Å; K1034-K1036 VanDerWaalsContact C-N 3.26Å; K1034-K1036 PolarHBondContact O-N 2.85Å |
| 1035 | E | 46.4 | Very low | 71.6 | Confident | 186 Ų | 186 | 64.9 Ų | 64.9 | 87% | 0.869 | 39% | 0.388 | S | S | * | . | S | Bend | trans | 42.9 | 21.4 | 156 | -110 | 176.8 | -167.3 | 0 | 0 | 120.3 | P1033 | P1033-E1035 PolarHBondContact O-N 3.2Š|
| 1036 | K | 43.3 | Very low | 71.5 | Confident | 191 Ų | 191 | 65.1 Ų | 65.1 | 83% | 0.83 | 39% | 0.389 | S | S | * | . | trans | -130.7 | 128.4 | 176.8 | -73.9 | -173 | 175.9 | -178.1 | 0 | 112.8 | K1034 | K1034-K1036 VanDerWaalsContact C-N 3.26Å; K1034-K1036 PolarHBondContact O-N 2.85Å | ||
| 1037 | A | 53.8 | Low | 71.5 | Confident | 95 Ų | 95 | 64.8 Ų | 64.8 | 79% | 0.785 | 39% | 0.388 | S | S | * | . | S | Bend | trans | 79.4 | 129.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1038 | A | 60.3 | Low | 71.5 | Confident | 83 Ų | 83 | 67.5 Ų | 67.5 | 69% | 0.686 | 40% | 0.397 | S | S | * | . | trans | -56.1 | 136.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1039 | F | 66.3 | Low | 71.7 | Confident | 49 Ų | 49 | 67.2 Ų | 67.2 | 22% | 0.215 | 39% | 0.393 | C | S | . | . | trans | -63.1 | 136.8 | 177.5 | -56.9 | -66.9 | 0 | 0 | 0 | 110.7 | Q967 P969 V1011 P1033 L1041 | Q967-F1039 WeakPolarHBondContact O-CD1 3.23Å; Q967-F1039 WeakPolarHBondContact O-CE1 3.4Å; P969-F1039 HydrophobicContact CG-CE2 4.47Å; P969-F1039 HydrophobicContact CG-CZ 4.11Å; V1011-F1039 HydrophobicContact CG1-CD2 4.3Å; V1011-F1039 WeakPolarHBondContact O-CD2 3.46Å; P1033-F1039 HydrophobicContact CG-CE1 4.34Å; F1039-L1041 HydrophobicContact CB-CD1 4.2Å; F1039-L1041 HydrophobicContact CB-CD2 4Å; F1039-L1041 HydrophobicContact CB-CG 3.86Å; F1039-L1041 PolarHBondContact O-N 2.94Å; F1039-L1041 VanDerWaalsContact O-N 3.09Å | ||
| 1040 | D | 70.3 | Confident | 72 | Confident | 74 Ų | 74 | 66.8 Ų | 66.8 | 40% | 0.396 | 39% | 0.39 | S | S | . | . | trans | -73.4 | 102.9 | 167.7 | -179 | 9.1 | 0 | 0 | 0 | 109.4 | S1042 | D1040-S1042 WeakPolarHBondContact OD1-CB 3.3Å; D1040-S1042 PolarHBondContact OD1-N 2.73Å; D1040-S1042 PolarHBondContact OD1-OG 2.89Å; D1040-S1042 PolarHBondContact OD2-OG 2.86Å | ||
| 1041 | L | 78.9 | Confident | 71.9 | Confident | 19 Ų | 19 | 67 Ų | 67 | 10% | 0.099 | 38% | 0.375 | C | S | . | . | trans | -107.6 | 15.9 | -178.1 | -59.8 | 170 | 0 | 0 | 0 | 112.1 | L968 V1011 R1012 F1039 S1043 I1044 | L968-L1041 HydrophobicContact CD2-CD2 3.61Å; V1011-L1041 HydrophobicContact CG1-CD1 4.27Å; V1011-L1041 HydrophobicContact CG1-CD2 3.86Å; R1012-L1041 HydrophobicContact CB-CD1 3.62Å; R1012-L1041 HydrophobicContact CG-CD1 3.58Å; R1012-L1041 PolarHBondContact NH2-O 2.85Å; F1039-L1041 HydrophobicContact CB-CD1 4.2Å; F1039-L1041 HydrophobicContact CB-CD2 4Å; F1039-L1041 HydrophobicContact CB-CG 3.86Å; F1039-L1041 PolarHBondContact O-N 2.94Å; F1039-L1041 VanDerWaalsContact O-N 3.09Å; L1041-S1043 PolarHBondContact O-N 2.89Å; L1041-I1044 HydrophobicContact CD2-CD1 3.59Å; L1041-I1044 HydrophobicContact CD2-CG1 4.27Å; L1041-I1044 PolarHBondContact O-N 2.79Å | ||
| 1042 | S | 78 | Confident | 71.6 | Confident | 37 Ų | 37 | 66 Ų | 66 | 26% | 0.259 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -25 | -179.6 | 62 | 0 | 0 | 0 | 0 | 113 | D1040 F1074 R1075 | D1040-S1042 WeakPolarHBondContact OD1-CB 3.3Å; D1040-S1042 PolarHBondContact OD1-N 2.73Å; D1040-S1042 PolarHBondContact OD1-OG 2.89Å; D1040-S1042 PolarHBondContact OD2-OG 2.86Å; S1042-F1074 CarbonylContact O-C 3.58Å; S1042-F1074 VanDerWaalsContact O-CA 3.25Å; S1042-F1074 WeakPolarHBondContact O-CA 3.41Å; S1042-R1075 PolarHBondContact O-N 2.94Å |
| 1043 | S | 83 | Confident | 71.1 | Confident | 56 Ų | 56 | 67.4 Ų | 67.4 | 39% | 0.392 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -2.6 | 178.9 | 56.9 | 0 | 0 | 0 | 0 | 114.8 | L1041 R1075 | L1041-S1043 PolarHBondContact O-N 2.89Å; S1043-R1075 VanDerWaalsContact CA-O 3.3Å; S1043-R1075 WeakPolarHBondContact CA-O 3.36Å |
| 1044 | I | 88.8 | Confident | 70.4 | Confident | 7 Ų | 7 | 70.7 Ų | 70.7 | 4% | 0.036 | 39% | 0.394 | C | S | . | . | trans | -101.4 | 118 | -174.1 | -54.4 | -166.3 | 0 | 0 | 0 | 110.2 | N924 F926 L968 R1012 L1025 L1041 E1046 F1074 | N924-I1044 WeakPolarHBondContact OD1-CA 3.34Å; F926-I1044 HydrophobicContact CE2-CG2 4.46Å; F926-I1044 HydrophobicContact CZ-CD1 4.15Å; F926-I1044 HydrophobicContact CZ-CG2 4.15Å; L968-I1044 HydrophobicContact CD1-CD1 3.45Å; L968-I1044 VanDerWaalsContact CD1-CD1 3.45Å; L968-I1044 HydrophobicContact CD2-CD1 3.58Å; L968-I1044 HydrophobicContact CG-CD1 4.1Å; R1012-I1044 PolarHBondContact NH2-O 2.85Å; L1025-I1044 HydrophobicContact CD1-CG2 3.8Å; L1041-I1044 HydrophobicContact CD2-CD1 3.59Å; L1041-I1044 HydrophobicContact CD2-CG1 4.27Å; L1041-I1044 PolarHBondContact O-N 2.79Å; I1044-E1046 HydrophobicContact CG2-CG 4.34Å; I1044-E1046 PolarHBondContact O-N 3.43Å; I1044-F1074 WeakPolarHBondContact O-CD1 3.46Å; I1044-F1074 WeakPolarHBondContact O-CE1 3.22Å | ||
| 1045 | V | 90.9 | Very high | 69.8 | Low | 4 Ų | 4 | 64.3 Ų | 64.3 | 2% | 0.024 | 37% | 0.372 | C | S | . | . | trans | -90.3 | 109.8 | 178.5 | -171.6 | 0 | 0 | 0 | 0 | 109.3 | M920 L923 N924 F1023 V1047 F1074 V1094 | M920-V1045 HydrophobicContact CE-CB 3.76Å; M920-V1045 HydrophobicContact CE-CG1 3.49Å; M920-V1045 VanDerWaalsContact CE-CG1 3.49Å; L923-V1045 HydrophobicContact CD2-CB 3.93Å; L923-V1045 HydrophobicContact CD2-CG2 3.57Å; N924-V1045 PolarHBondContact ND2-O 3.4Å; N924-V1045 PolarHBondContact OD1-N 3.39Å; F1023-V1045 VanDerWaalsContact CD1-O 3.31Å; F1023-V1045 WeakPolarHBondContact CD1-O 3.09Å; F1023-V1045 WeakPolarHBondContact CE1-O 3.49Å; V1045-V1047 HydrophobicContact CG1-CG2 3.97Å; V1045-F1074 HydrophobicContact CB-CD2 4.39Å; V1045-F1074 HydrophobicContact CG1-CD2 4.14Å; V1045-F1074 HydrophobicContact CG1-CE2 3.97Å; V1045-F1074 HydrophobicContact CG1-CZ 4.44Å; V1045-F1074 HydrophobicContact CG2-CB 3.91Å; V1045-F1074 HydrophobicContact CG2-CD1 4.33Å; V1045-F1074 HydrophobicContact CG2-CD2 3.8Å; V1045-F1074 HydrophobicContact CG2-CE2 4.4Å; V1045-F1074 HydrophobicContact CG2-CG 3.75Å; V1045-V1094 HydrophobicContact CG1-CG2 3.46Å; V1045-V1094 VanDerWaalsContact CG1-CG2 3.46Å | ||
| 1046 | E | 91.2 | Very high | 69.6 | Low | 5 Ų | 5 | 59.4 Ų | 59.4 | 2% | 0.023 | 36% | 0.356 | C | S | . | . | trans | -108.2 | 136.2 | 172.2 | -67.7 | -169.9 | 143.2 | 0 | 0 | 110.4 | R1012 R1015 F1023 L1025 I1044 | R1012-E1046 IonicContact CZ-OE2 2.77Å; R1012-E1046 IonicContact NE-OE2 3.66Å; R1012-E1046 IonicContact NH1-OE2 3.67Å; R1015-E1046 IonicContact CZ-OE2 3.67Å; R1015-E1046 IonicContact NE-OE2 3.74Å; R1015-E1046 IonicContact NH1-OE2 2.57Å; R1015-E1046 IonicContact NH2-OE2 3.76Å; R1015-E1046 PolarHBondContact NH2-OE2 3.4Å; F1023-E1046 CarbonylContact O-C 3.58Å; F1023-E1046 VanDerWaalsContact O-CA 3.22Å; F1023-E1046 WeakPolarHBondContact O-CA 3.43Å; F1023-E1046 WeakPolarHBondContact O-CB 3.13Å; L1025-E1046 WeakPolarHBondContact CB-OE1 3.38Å; L1025-E1046 PolarHBondContact N-OE1 2.66Å; I1044-E1046 HydrophobicContact CG2-CG 4.34Å; I1044-E1046 PolarHBondContact O-N 3.43Å | ||
| 1047 | V | 92.2 | Very high | 69.7 | Low | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 123.4 | -171.9 | -173.7 | 0 | 0 | 0 | 0 | 109.8 | F916 M920 F1023 V1045 Y1104 | F916-V1047 HydrophobicContact CE1-CB 4.11Å; F916-V1047 HydrophobicContact CE1-CG1 4.05Å; F916-V1047 HydrophobicContact CZ-CB 4.19Å; F916-V1047 HydrophobicContact CZ-CG1 3.96Å; F916-V1047 HydrophobicContact CZ-CG2 4.34Å; M920-V1047 HydrophobicContact CE-CG2 3.8Å; M920-V1047 HydrophobicContact SD-CG2 4.45Å; F1023-V1047 PolarHBondContact N-O 2.92Å; F1023-V1047 PolarHBondContact O-N 3.2Å; V1045-V1047 HydrophobicContact CG1-CG2 3.97Å; V1047-Y1104 HydrophobicContact CG1-CE2 4.07Å; V1047-Y1104 WeakPolarHBondContact CG2-OH 3.23Å |
| 1048 | R | 90.7 | Very high | 69.2 | Low | 78 Ų | 78 | 55.4 Ų | 55.4 | 29% | 0.294 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 141.6 | 174.6 | 77.3 | -166.1 | 172.7 | -139.1 | -11.2 | 110.1 | V1050 E1070 G1096 S1097 Y1098 | R1048-V1050 HydrophobicContact CG-CG2 4Å; R1048-E1070 IonicContact NH2-OE2 2.85Å; R1048-E1070 PolarHBondContact NH2-OE2 2.8Å; R1048-G1096 WeakPolarHBondContact CG-O 3.48Å; R1048-G1096 PolarHBondContact N-O 2.95Å; R1048-S1097 CarbonylContact O-C 3.35Å; R1048-S1097 VanDerWaalsContact O-CA 3.24Å; R1048-S1097 WeakPolarHBondContact O-CA 3.41Å; R1048-Y1098 PolarHBondContact O-N 3.45Å |
| 1049 | V | 89.7 | Confident | 68.4 | Low | 14 Ų | 14 | 53.5 Ų | 53.5 | 9% | 0.085 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 119.8 | 174.3 | 175.9 | 0 | 0 | 0 | 0 | 108.2 | Y909 V913 Y1021 G1022 Y1098 | Y909-V1049 WeakPolarHBondContact OH-CG1 3.48Å; V913-V1049 HydrophobicContact CG1-CG2 4.07Å; V913-V1049 HydrophobicContact CG2-CG1 3.87Å; Y1021-V1049 HydrophobicContact CD1-CB 3.76Å; Y1021-V1049 HydrophobicContact CD1-CG1 4.07Å; Y1021-V1049 HydrophobicContact CE1-CB 3.76Å; Y1021-V1049 HydrophobicContact CE1-CG1 3.64Å; Y1021-V1049 PolarHBondContact O-N 3.18Å; G1022-V1049 VanDerWaalsContact CA-CG2 3.49Å; V1049-Y1098 HydrophobicContact CG1-CD1 4.36Å; V1049-Y1098 HydrophobicContact CG2-CD1 4.09Å |
| 1050 | V | 83.2 | Confident | 67.4 | Low | 53 Ų | 53 | 58.2 Ų | 58.2 | 32% | 0.321 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -99.9 | 138.5 | 179 | -173.4 | 0 | 0 | 0 | 0 | 108.4 | R1048 Y1098 E1099 | R1048-V1050 HydrophobicContact CG-CG2 4Å; V1050-Y1098 PolarHBondContact N-O 3.36Å; V1050-E1099 HydrophobicContact CB-CG 4.27Å |
| 1051 | T | 70.4 | Confident | 66 | Low | 85 Ų | 85 | 57.4 Ų | 57.4 | 52% | 0.521 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 128.3 | 172.3 | 41.6 | 0 | 0 | 0 | 0 | 110.1 | ||
| 1052 | S | 58.8 | Low | 64.3 | Low | 30 Ų | 30 | 59.4 Ų | 59.4 | 21% | 0.21 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 144.3 | 170.2 | -61.3 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1053 | P | 48 | Very low | 62.5 | Low | 62 Ų | 62 | 60.3 Ų | 60.3 | 40% | 0.403 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 142 | 172.7 | -14 | 22.9 | 0 | 0 | 0 | 110.8 | V1055 | P1053-V1055 CarbonylContact O-C 3.56Å; P1053-V1055 PolarHBondContact O-N 2.87Å; P1053-V1055 VanDerWaalsContact O-N 3.09Å |
| 1054 | T | 41.7 | Very low | 60.6 | Low | 151 Ų | 151 | 60.1 Ų | 60.1 | 93% | 0.926 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -61.4 | -15.1 | 180 | 27.8 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1055 | V | 40.6 | Very low | 58.4 | Low | 71 Ų | 71 | 64.8 Ų | 64.8 | 43% | 0.43 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -104.3 | 116.9 | 168.7 | -175.1 | 0 | 0 | 0 | 0 | 106.2 | P1053 Y1057 R1058 | P1053-V1055 CarbonylContact O-C 3.56Å; P1053-V1055 PolarHBondContact O-N 2.87Å; P1053-V1055 VanDerWaalsContact O-N 3.09Å; V1055-Y1057 PolarHBondContact O-N 2.91Å; V1055-R1058 HydrophobicContact CB-CG 4.41Å |
| 1056 | P | 42 | Very low | 56 | Low | 83 Ų | 83 | 72.2 Ų | 72.2 | 54% | 0.539 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 108.3 | 176.1 | 23.8 | -31 | 0 | 0 | 0 | 107 | ||
| 1057 | Y | 45.2 | Very low | 53.6 | Low | 77 Ų | 77 | 73 Ų | 73 | 30% | 0.302 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 80.6 | 176 | -114.3 | -103.4 | 0 | 0 | 0 | 114.9 | V1055 A1059 R1064 Y1182 | V1055-Y1057 PolarHBondContact O-N 2.91Å; Y1057-A1059 PolarHBondContact O-N 2.92Å; Y1057-R1064 PolarHBondContact OH-NE 3.47Å; Y1057-R1064 VanDerWaalsContact OH-NE 3.15Å; Y1057-Y1182 HydrophobicContact CD1-CD1 4.25Å; Y1057-Y1182 AromaticContact CD1-CE1 3.63Å; Y1057-Y1182 HydrophobicContact CD1-CE1 3.63Å; Y1057-Y1182 HydrophobicContact CD1-CE2 4.47Å; Y1057-Y1182 AromaticContact CD1-CZ 3.76Å; Y1057-Y1182 HydrophobicContact CD2-CD1 4.27Å; Y1057-Y1182 AromaticContact CD2-CE1 3.85Å; Y1057-Y1182 HydrophobicContact CD2-CE1 3.85Å; Y1057-Y1182 AromaticContact CE1-CE1 3.54Å; Y1057-Y1182 HydrophobicContact CE1-CE1 3.54Å; Y1057-Y1182 HydrophobicContact CE1-CE2 4.44Å; Y1057-Y1182 AromaticContact CE1-CZ 3.47Å; Y1057-Y1182 VanDerWaalsContact CE1-CZ 3.47Å; Y1057-Y1182 WeakPolarHBondContact CE1-OH 3.33Å; Y1057-Y1182 AromaticContact CE2-CE1 3.77Å; Y1057-Y1182 HydrophobicContact CE2-CE1 3.77Å; Y1057-Y1182 HydrophobicContact CG-CD1 4.08Å; Y1057-Y1182 AromaticContact CG-CE1 3.77Å; Y1057-Y1182 HydrophobicContact CG-CE1 3.77Å; Y1057-Y1182 AromaticContact CZ-CE1 3.6Å; Y1057-Y1182 AromaticContact CZ-CZ 3.86Å; Y1057-Y1182 PolarHBondContact OH-OH 2.82Å |
| 1058 | R | 42.8 | Very low | 51.4 | Low | 125 Ų | 125 | 74.7 Ų | 74.7 | 47% | 0.472 | 40% | 0.395 | S | S | . | . | trans | -64 | 95.1 | 144.7 | -78.7 | 178.7 | 168.1 | -160 | -0.3 | 106.7 | V1055 W1060 D1061 | V1055-R1058 HydrophobicContact CB-CG 4.41Å; R1058-W1060 HydrophobicContact CB-CD2 4.01Å; R1058-W1060 HydrophobicContact CB-CG 4.3Å; R1058-W1060 HydrophobicContact CB-CZ2 3.91Å; R1058-W1060 HydrophobicContact CG-CD2 4.38Å; R1058-W1060 HydrophobicContact CG-CH2 4.03Å; R1058-W1060 HydrophobicContact CG-CZ2 3.34Å; R1058-W1060 PolarHBondContact O-N 2.86Å; R1058-D1061 PolarHBondContact O-N 2.9Å | ||
| 1059 | A | 43.8 | Very low | 49.5 | Very low | 43 Ų | 43 | 79 Ų | 79 | 36% | 0.355 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -10.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y1057 L1178 | Y1057-A1059 PolarHBondContact O-N 2.92Å; A1059-L1178 HydrophobicContact CB-CD2 3.9Å |
| 1060 | W | 45.9 | Very low | 48 | Very low | 148 Ų | 148 | 82.3 Ų | 82.3 | 56% | 0.561 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -10.4 | 178.7 | 60 | 68.4 | 0 | 0 | 0 | 115.2 | R1058 S1062 | R1058-W1060 HydrophobicContact CB-CD2 4.01Å; R1058-W1060 HydrophobicContact CB-CG 4.3Å; R1058-W1060 HydrophobicContact CB-CZ2 3.91Å; R1058-W1060 HydrophobicContact CG-CD2 4.38Å; R1058-W1060 HydrophobicContact CG-CH2 4.03Å; R1058-W1060 HydrophobicContact CG-CZ2 3.34Å; R1058-W1060 PolarHBondContact O-N 2.86Å; W1060-S1062 PolarHBondContact O-N 2.95Å; W1060-S1062 VanDerWaalsContact O-N 3.08Å |
| 1061 | D | 41.1 | Very low | 47.6 | Very low | 57 Ų | 57 | 81.9 Ų | 81.9 | 31% | 0.305 | 43% | 0.426 | S | S | . | . | trans | -71.5 | 115.3 | -177.2 | -93.6 | -24.3 | 0 | 0 | 0 | 109.9 | R1058 T1063 | R1058-D1061 PolarHBondContact O-N 2.9Å; D1061-T1063 HydrophobicContact CB-CG2 4.11Å; D1061-T1063 WeakPolarHBondContact CB-OG1 3.24Å; D1061-T1063 PolarHBondContact O-N 3.24Å; D1061-T1063 PolarHBondContact O-OG1 3.15Å | ||
| 1062 | S | 43.3 | Very low | 48.1 | Very low | 62 Ų | 62 | 82.3 Ų | 82.3 | 43% | 0.434 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 9 | 166.4 | 59.7 | 0 | 0 | 0 | 0 | 113.6 | W1060 R1064 D1065 R1066 | W1060-S1062 PolarHBondContact O-N 2.95Å; W1060-S1062 VanDerWaalsContact O-N 3.08Å; S1062-R1064 PolarHBondContact O-N 3.03Å; S1062-D1065 WeakPolarHBondContact O-CA 3.32Å; S1062-D1065 WeakPolarHBondContact O-CB 3.48Å; S1062-D1065 PolarHBondContact O-N 2.96Å; S1062-R1066 PolarHBondContact O-N 3.26Å |
| 1063 | T | 40.1 | Very low | 49.4 | Very low | 55 Ų | 55 | 84.5 Ų | 84.5 | 34% | 0.337 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.5 | -33.5 | 171.1 | 48.7 | 0 | 0 | 0 | 0 | 111.3 | D1061 D1065 R1066 C1067 | D1061-T1063 HydrophobicContact CB-CG2 4.11Å; D1061-T1063 WeakPolarHBondContact CB-OG1 3.24Å; D1061-T1063 PolarHBondContact O-N 3.24Å; D1061-T1063 PolarHBondContact O-OG1 3.15Å; T1063-D1065 VanDerWaalsContact C-N 3.33Å; T1063-D1065 PolarHBondContact O-N 3.17Å; T1063-R1066 PolarHBondContact O-N 3.36Å; T1063-C1067 PolarHBondContact O-N 2.94Å |
| 1064 | R | 43.2 | Very low | 51.3 | Low | 52 Ų | 52 | 82.1 Ų | 82.1 | 20% | 0.196 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -58.5 | -44.9 | 169.7 | -114.7 | -174.4 | 170.4 | -168.4 | -0.9 | 111.7 | Y1057 S1062 R1066 A1068 M1193 N1194 R1201 H1202 | Y1057-R1064 PolarHBondContact OH-NE 3.47Å; Y1057-R1064 VanDerWaalsContact OH-NE 3.15Å; S1062-R1064 PolarHBondContact O-N 3.03Å; R1064-R1066 VanDerWaalsContact C-N 3.33Å; R1064-R1066 PolarHBondContact O-N 3.21Å; R1064-A1068 WeakPolarHBondContact O-CB 3.46Å; R1064-A1068 PolarHBondContact O-N 2.85Å; R1064-M1193 PolarHBondContact NH2-O 3.06Å; R1064-N1194 PolarHBondContact NE-OD1 3.21Å; R1064-N1194 PolarHBondContact NH2-OD1 3.22Å; R1064-R1201 PolarHBondContact NH1-O 3.08Å; R1064-R1201 VanDerWaalsContact NH1-O 3.1Å; R1064-H1202 PolarHBondContact NH1-ND1 3.06Å |
| 1065 | D | 41.6 | Very low | 53.4 | Low | 106 Ų | 106 | 79.2 Ų | 79.2 | 57% | 0.567 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -68.1 | -30.2 | 177.7 | -115.7 | -0.4 | 0 | 0 | 0 | 112.8 | S1062 T1063 | S1062-D1065 WeakPolarHBondContact O-CA 3.32Å; S1062-D1065 WeakPolarHBondContact O-CB 3.48Å; S1062-D1065 PolarHBondContact O-N 2.96Å; T1063-D1065 VanDerWaalsContact C-N 3.33Å; T1063-D1065 PolarHBondContact O-N 3.17Å |
| 1066 | R | 40.3 | Very low | 55.8 | Low | 160 Ų | 160 | 76.7 Ų | 76.7 | 60% | 0.604 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -74.2 | -47.8 | 176.1 | -81.2 | -172 | -87.6 | -164 | -3.7 | 112.6 | S1062 T1063 R1064 A1068 | S1062-R1066 PolarHBondContact O-N 3.26Å; T1063-R1066 PolarHBondContact O-N 3.36Å; R1064-R1066 VanDerWaalsContact C-N 3.33Å; R1064-R1066 PolarHBondContact O-N 3.21Å; R1066-A1068 VanDerWaalsContact C-N 3.29Å; R1066-A1068 PolarHBondContact O-N 2.9Å |
| 1067 | C | 42.2 | Very low | 58 | Low | 21 Ų | 21 | 75.5 Ų | 75.5 | 14% | 0.142 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -69.8 | -28.1 | 178.4 | -71.9 | 0 | 0 | 0 | 0 | 112.3 | T1063 K1069 | T1063-C1067 PolarHBondContact O-N 2.94Å; C1067-K1069 VanDerWaalsContact C-N 3.33Å; C1067-K1069 PolarHBondContact O-N 3.1Å |
| 1068 | A | 44.5 | Very low | 60.2 | Low | 35 Ų | 35 | 71.9 Ų | 71.9 | 29% | 0.289 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -70.2 | -22.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | R1064 R1066 F1196 | R1064-A1068 WeakPolarHBondContact O-CB 3.46Å; R1064-A1068 PolarHBondContact O-N 2.85Å; R1066-A1068 VanDerWaalsContact C-N 3.29Å; R1066-A1068 PolarHBondContact O-N 2.9Å; A1068-F1196 VanDerWaalsContact CA-CD1 3.5Å; A1068-F1196 HydrophobicContact CB-CD1 3.75Å; A1068-F1196 HydrophobicContact CB-CE1 4.16Å |
| 1069 | K | 50.4 | Low | 62.5 | Low | 169 Ų | 169 | 66.4 Ų | 66.4 | 74% | 0.735 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -3.1 | -179.7 | -70.9 | -177.5 | -178.5 | 175.6 | 0 | 114.3 | C1067 | C1067-K1069 VanDerWaalsContact C-N 3.33Å; C1067-K1069 PolarHBondContact O-N 3.1Å |
| 1070 | E | 59.1 | Low | 64.3 | Low | 83 Ų | 83 | 66.9 Ų | 66.9 | 39% | 0.388 | 32% | 0.321 | S | S | . | . | trans | -122.4 | 37.5 | -168.7 | -63 | -173.5 | 174.9 | 0 | 0 | 114.1 | R1048 R1072 | R1048-E1070 IonicContact NH2-OE2 2.85Å; R1048-E1070 PolarHBondContact NH2-OE2 2.8Å; E1070-R1072 PolarHBondContact O-N 2.9Å | ||
| 1071 | L | 75.3 | Confident | 66.2 | Low | 45 Ų | 45 | 66 Ų | 66 | 24% | 0.236 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 123.6 | 164.1 | -72.2 | 179.7 | 0 | 0 | 0 | 108.7 | V1094 F1196 | L1071-V1094 VanDerWaalsContact CD2-C 3.47Å; L1071-F1196 HydrophobicContact CD1-CB 4.31Å; L1071-F1196 HydrophobicContact CD1-CD2 3.74Å; L1071-F1196 HydrophobicContact CD1-CE2 4.26Å; L1071-F1196 HydrophobicContact CD1-CG 4.04Å; L1071-F1196 HydrophobicContact CD2-CD2 4.14Å; L1071-F1196 HydrophobicContact CD2-CE2 3.79Å; L1071-F1196 HydrophobicContact CD2-CZ 4.12Å; L1071-F1196 HydrophobicContact CG-CD2 4.19Å; L1071-F1196 HydrophobicContact CG-CE2 4.3Å; L1071-F1196 HydrophobicContact CG-CG 4.41Å |
| 1072 | R | 81.6 | Confident | 68.4 | Low | 93 Ų | 93 | 73.9 Ų | 73.9 | 35% | 0.351 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 139.1 | 178.4 | -65.5 | -177 | -177.8 | -172.9 | -2.1 | 109.7 | E1070 F1074 R1093 V1094 | E1070-R1072 PolarHBondContact O-N 2.9Å; R1072-F1074 HydrophobicContact CB-CD2 4.45Å; R1072-F1074 HydrophobicContact CB-CE2 3.62Å; R1072-F1074 HydrophobicContact CB-CZ 3.85Å; R1072-R1093 WeakPolarHBondContact O-CA 3.17Å; R1072-V1094 PolarHBondContact N-O 3.07Å; R1072-V1094 PolarHBondContact O-N 2.82Å; R1072-V1094 VanDerWaalsContact O-N 3.13Å |
| 1073 | N | 84.5 | Confident | 70.4 | Confident | 77 Ų | 77 | 75.5 Ų | 75.5 | 41% | 0.412 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 130 | 177.6 | -59.5 | -20.2 | 0 | 0 | 0 | 109.7 | V1092 R1093 | N1073-V1092 CarbonylContact C-O 3.46Å; N1073-V1092 WeakPolarHBondContact CA-O 3.37Å; N1073-R1093 WeakPolarHBondContact OD1-CD 3.21Å; N1073-R1093 WeakPolarHBondContact OD1-CG 3.47Å |
| 1074 | F | 88 | Confident | 72.6 | Confident | 11 Ų | 11 | 73.4 Ų | 73.4 | 5% | 0.048 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 144.5 | 174.8 | -59.9 | -83.6 | 0 | 0 | 0 | 109.2 | S1042 I1044 V1045 R1072 Q1091 V1092 V1094 | S1042-F1074 CarbonylContact O-C 3.58Å; S1042-F1074 VanDerWaalsContact O-CA 3.25Å; S1042-F1074 WeakPolarHBondContact O-CA 3.41Å; I1044-F1074 WeakPolarHBondContact O-CD1 3.46Å; I1044-F1074 WeakPolarHBondContact O-CE1 3.22Å; V1045-F1074 HydrophobicContact CB-CD2 4.39Å; V1045-F1074 HydrophobicContact CG1-CD2 4.14Å; V1045-F1074 HydrophobicContact CG1-CE2 3.97Å; V1045-F1074 HydrophobicContact CG1-CZ 4.44Å; V1045-F1074 HydrophobicContact CG2-CB 3.91Å; V1045-F1074 HydrophobicContact CG2-CD1 4.33Å; V1045-F1074 HydrophobicContact CG2-CD2 3.8Å; V1045-F1074 HydrophobicContact CG2-CE2 4.4Å; V1045-F1074 HydrophobicContact CG2-CG 3.75Å; R1072-F1074 HydrophobicContact CB-CD2 4.45Å; R1072-F1074 HydrophobicContact CB-CE2 3.62Å; R1072-F1074 HydrophobicContact CB-CZ 3.85Å; F1074-Q1091 CarbonylContact O-C 3.52Å; F1074-Q1091 VanDerWaalsContact O-CA 3.22Å; F1074-Q1091 WeakPolarHBondContact O-CA 3.31Å; F1074-V1092 PolarHBondContact N-O 3.47Å; F1074-V1092 PolarHBondContact O-N 3.32Å; F1074-V1094 HydrophobicContact CD2-CG2 3.95Å; F1074-V1094 HydrophobicContact CE2-CG2 3.63Å |
| 1075 | R | 87.2 | Confident | 74.3 | Confident | 90 Ų | 90 | 75.3 Ų | 75.3 | 34% | 0.34 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 143.2 | 174.5 | -70.3 | -176.3 | 175.5 | 161.1 | -5.3 | 110.4 | E857 S1042 S1043 | E857-R1075 VanDerWaalsContact CA-NH2 3.33Å; S1042-R1075 PolarHBondContact O-N 2.94Å; S1043-R1075 VanDerWaalsContact CA-O 3.3Å; S1043-R1075 WeakPolarHBondContact CA-O 3.36Å |
| 1076 | I | 89.3 | Confident | 76.2 | Confident | 19 Ų | 19 | 71.5 Ų | 71.5 | 10% | 0.097 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 138.2 | 170.8 | -172.3 | 157.9 | 0 | 0 | 0 | 110.4 | F1078 W1089 G1090 V1092 M1108 L1121 W1125 | I1076-F1078 HydrophobicContact CG2-CE1 4.09Å; I1076-F1078 HydrophobicContact CG2-CE2 4.3Å; I1076-F1078 HydrophobicContact CG2-CZ 3.92Å; I1076-W1089 WeakPolarHBondContact O-CA 3.31Å; I1076-G1090 PolarHBondContact N-O 2.87Å; I1076-G1090 PolarHBondContact O-N 3.09Å; I1076-V1092 HydrophobicContact CB-CG2 3.84Å; I1076-V1092 HydrophobicContact CD1-CG2 3.58Å; I1076-V1092 HydrophobicContact CG1-CG2 4.33Å; I1076-V1092 HydrophobicContact CG2-CG2 3.8Å; I1076-M1108 HydrophobicContact CD1-CE 3.85Å; I1076-M1108 HydrophobicContact CG2-CE 4.45Å; I1076-L1121 HydrophobicContact CD1-CD2 3.95Å; I1076-L1121 HydrophobicContact CG1-CD2 4.43Å; I1076-W1125 HydrophobicContact CD1-CH2 3.28Å; I1076-W1125 HydrophobicContact CD1-CZ2 3.48Å; I1076-W1125 VanDerWaalsContact CD1-CZ2 3.48Å; I1076-W1125 HydrophobicContact CD1-CZ3 4.49Å |
| 1077 | D | 88.5 | Confident | 78.1 | Confident | 57 Ų | 57 | 68.3 Ų | 68.3 | 31% | 0.305 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 123.8 | 166.6 | 157.4 | 37.4 | 0 | 0 | 0 | 108 | R925 D1079 P1080 E1088 | R925-D1077 IonicContact CZ-OD2 2.78Å; R925-D1077 IonicContact NH1-OD2 3.96Å; R925-D1077 PolarHBondContact NH1-OD2 2.88Å; R925-D1077 PolarHBondContact NH2-O 3.44Å; D1077-D1079 VanDerWaalsContact C-N 3.34Å; D1077-D1079 PolarHBondContact OD1-N 2.87Å; D1077-P1080 WeakPolarHBondContact OD2-CA 3.36Å; D1077-E1088 CarbonylContact C-O 3.57Å; D1077-E1088 WeakPolarHBondContact CA-O 3.44Å |
| 1078 | F | 91.3 | Very high | 80.3 | Confident | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.009 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -82.4 | -13.3 | -179.1 | -69.7 | -68.8 | 0 | 0 | 0 | 113.5 | I1076 P1080 E1088 W1089 M1108 W1110 A1113 V1118 L1121 | I1076-F1078 HydrophobicContact CG2-CE1 4.09Å; I1076-F1078 HydrophobicContact CG2-CE2 4.3Å; I1076-F1078 HydrophobicContact CG2-CZ 3.92Å; F1078-P1080 WeakPolarHBondContact O-CD 3.46Å; F1078-E1088 HydrophobicContact CB-CB 3.91Å; F1078-E1088 PolarHBondContact N-O 3.13Å; F1078-W1089 VanDerWaalsContact CD2-C 3.46Å; F1078-W1089 VanDerWaalsContact CE2-O 3.29Å; F1078-W1089 WeakPolarHBondContact CE2-O 3.49Å; F1078-M1108 HydrophobicContact CD1-CE 4.29Å; F1078-M1108 HydrophobicContact CE1-CE 3.39Å; F1078-M1108 HydrophobicContact CZ-CE 4.15Å; F1078-W1110 HydrophobicContact CE2-CB 3.66Å; F1078-W1110 HydrophobicContact CE2-CD2 4.4Å; F1078-W1110 AromaticContact CE2-CG 3.98Å; F1078-W1110 HydrophobicContact CE2-CG 3.98Å; F1078-W1110 HydrophobicContact CZ-CB 4.05Å; F1078-W1110 HydrophobicContact CZ-CD2 4.16Å; F1078-W1110 HydrophobicContact CZ-CE3 4.04Å; F1078-W1110 HydrophobicContact CZ-CG 4.2Å; F1078-A1113 HydrophobicContact CD2-CB 3.61Å; F1078-A1113 HydrophobicContact CE2-CB 3.91Å; F1078-A1113 HydrophobicContact CG-CB 4.41Å; F1078-V1118 HydrophobicContact CB-CG2 4.23Å; F1078-V1118 HydrophobicContact CD1-CB 4.15Å; F1078-V1118 HydrophobicContact CD1-CG1 3.97Å; F1078-V1118 HydrophobicContact CD1-CG2 3.73Å; F1078-V1118 HydrophobicContact CD2-CG2 4.07Å; F1078-V1118 HydrophobicContact CE1-CB 4.31Å; F1078-V1118 HydrophobicContact CE1-CG1 3.69Å; F1078-V1118 HydrophobicContact CE1-CG2 3.96Å; F1078-V1118 HydrophobicContact CE2-CG2 4.29Å; F1078-V1118 HydrophobicContact CG-CG2 3.78Å; F1078-V1118 HydrophobicContact CZ-CG1 4.35Å; F1078-V1118 HydrophobicContact CZ-CG2 4.25Å; F1078-L1121 HydrophobicContact CD1-CD2 3.85Å |
| 1079 | D | 90.7 | Very high | 82.3 | Confident | 9 Ų | 9 | 66.6 Ų | 66.6 | 5% | 0.048 | 30% | 0.303 | C | S | . | . | trans | -127.4 | 71.9 | -175.4 | -173.8 | 22.4 | 0 | 0 | 0 | 113.4 | D1077 N1081 R1082 R1083 S1084 E1088 L1117 | D1077-D1079 VanDerWaalsContact C-N 3.34Å; D1077-D1079 PolarHBondContact OD1-N 2.87Å; D1079-N1081 PolarHBondContact O-N 3.04Å; D1079-R1082 PolarHBondContact O-N 3Å; D1079-R1082 VanDerWaalsContact O-N 3.17Å; D1079-R1082 PolarHBondContact OD1-N 3.04Å; D1079-R1082 VanDerWaalsContact OD2-CA 3.3Å; D1079-R1082 WeakPolarHBondContact OD2-CA 3.23Å; D1079-R1083 PolarHBondContact OD1-N 3.13Å; D1079-R1083 PolarHBondContact OD2-N 2.88Å; D1079-S1084 WeakPolarHBondContact OD2-CB 3.42Å; D1079-S1084 PolarHBondContact OD2-N 2.89Å; D1079-E1088 HydrophobicContact CB-CB 3.92Å; D1079-E1088 HydrophobicContact CB-CG 3.77Å; D1079-L1117 HydrophobicContact CB-CD1 4.05Å | ||
| 1080 | P | 83.2 | Confident | 84.2 | Confident | 53 Ų | 53 | 58.6 Ų | 58.6 | 34% | 0.344 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -25.2 | 178.5 | 15.5 | -23.5 | 0 | 0 | 0 | 114 | R925 D1077 F1078 | R925-P1080 VanDerWaalsContact CZ-CB 3.48Å; D1077-P1080 WeakPolarHBondContact OD2-CA 3.36Å; F1078-P1080 WeakPolarHBondContact O-CD 3.46Å |
| 1081 | N | 85.7 | Confident | 85.6 | Confident | 130 Ų | 130 | 55.2 Ų | 55.2 | 70% | 0.695 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 1.5 | -171.9 | -63.1 | -34.7 | 0 | 0 | 0 | 112.3 | D1079 R1083 | D1079-N1081 PolarHBondContact O-N 3.04Å; N1081-R1083 VanDerWaalsContact C-N 3.27Å; N1081-R1083 HydrophobicContact CB-CG 4.17Å; N1081-R1083 PolarHBondContact O-N 3.05Å |
| 1082 | R | 85.7 | Confident | 86.4 | Confident | 222 Ų | 222 | 53.3 Ų | 53.3 | 84% | 0.838 | 24% | 0.243 | S | C | * | . | trans | 51.5 | 46.2 | 179.8 | -55 | -175.9 | 179.9 | -167.8 | -2 | 112.2 | D1079 S1084 | D1079-R1082 PolarHBondContact O-N 3Å; D1079-R1082 VanDerWaalsContact O-N 3.17Å; D1079-R1082 PolarHBondContact OD1-N 3.04Å; D1079-R1082 VanDerWaalsContact OD2-CA 3.3Å; D1079-R1082 WeakPolarHBondContact OD2-CA 3.23Å; R1082-S1084 VanDerWaalsContact C-N 3.33Å | ||
| 1083 | R | 87.1 | Confident | 86.6 | Confident | 96 Ų | 96 | 50.3 Ų | 50.3 | 36% | 0.362 | 23% | 0.232 | S | C | . | . | trans | -74.6 | -29.2 | 172.6 | -65.2 | 173.9 | 71 | -171.9 | 12.8 | 111.5 | E138 D1079 N1081 L1117 D1120 | E138-R1083 IonicContact OE1-NH2 3.27Å; E138-R1083 PolarHBondContact OE1-NH2 3.46Å; D1079-R1083 PolarHBondContact OD1-N 3.13Å; D1079-R1083 PolarHBondContact OD2-N 2.88Å; N1081-R1083 VanDerWaalsContact C-N 3.27Å; N1081-R1083 HydrophobicContact CB-CG 4.17Å; N1081-R1083 PolarHBondContact O-N 3.05Å; R1083-L1117 HydrophobicContact CB-CD2 4.25Å; R1083-D1120 IonicContact CZ-OD2 3.59Å; R1083-D1120 IonicContact NH1-OD2 3.17Å; R1083-D1120 PolarHBondContact NH1-OD2 3.16Å | ||
| 1084 | S | 86.4 | Confident | 86.8 | Confident | 12 Ų | 12 | 46.7 Ų | 46.7 | 8% | 0.084 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -85 | 148 | 172.6 | -169.1 | 0 | 0 | 0 | 0 | 110.1 | D1079 R1082 R1086 E1088 | D1079-S1084 WeakPolarHBondContact OD2-CB 3.42Å; D1079-S1084 PolarHBondContact OD2-N 2.89Å; R1082-S1084 VanDerWaalsContact C-N 3.33Å; S1084-R1086 VanDerWaalsContact C-N 3.28Å; S1084-R1086 VanDerWaalsContact OG-CG 3.29Å; S1084-R1086 WeakPolarHBondContact OG-CG 3.22Å; S1084-R1086 PolarHBondContact OG-N 2.88Å; S1084-R1086 PolarHBondContact OG-O 2.68Å; S1084-E1088 WeakPolarHBondContact CB-OE1 3.22Å; S1084-E1088 PolarHBondContact OG-OE1 2.99Å |
| 1085 | D | 77.7 | Confident | 86.7 | Confident | 92 Ų | 92 | 46.7 Ų | 46.7 | 49% | 0.492 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -73.3 | -22.9 | 169.5 | 53.7 | -6.2 | 0 | 0 | 0 | 111.7 | T731 | T731-D1085 WeakPolarHBondContact CB-O 3.48Å; T731-D1085 WeakPolarHBondContact CG2-O 3.28Å |
| 1086 | R | 82.3 | Confident | 86.6 | Confident | 25 Ų | 25 | 42.7 Ų | 42.7 | 9% | 0.094 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -107.3 | 166.4 | 179.9 | 65.1 | 170.8 | -174.7 | 169.5 | 2.1 | 113.4 | R121 E742 S1084 E1088 T1114 | R121-R1086 VanDerWaalsContact NH2-NH1 3.16Å; E742-R1086 VanDerWaalsContact CD-NH1 3.26Å; E742-R1086 IonicContact OE1-NH1 3.91Å; E742-R1086 PolarHBondContact OE1-NH1 2.84Å; E742-R1086 IonicContact OE2-CZ 2.7Å; E742-R1086 IonicContact OE2-NH1 3.94Å; E742-R1086 PolarHBondContact OE2-NH1 2.64Å; S1084-R1086 VanDerWaalsContact C-N 3.28Å; S1084-R1086 VanDerWaalsContact OG-CG 3.29Å; S1084-R1086 WeakPolarHBondContact OG-CG 3.22Å; S1084-R1086 PolarHBondContact OG-N 2.88Å; S1084-R1086 PolarHBondContact OG-O 2.68Å; R1086-E1088 VanDerWaalsContact CG-OE1 3.32Å; R1086-E1088 WeakPolarHBondContact CG-OE1 3.09Å; R1086-E1088 IonicContact CZ-OE1 3.96Å; R1086-E1088 IonicContact CZ-OE2 2.67Å; R1086-E1088 IonicContact NE-OE1 3.41Å; R1086-E1088 PolarHBondContact NE-OE1 3.05Å; R1086-E1088 IonicContact NE-OE2 3.14Å; R1086-E1088 IonicContact NH2-OE1 2.76Å; R1086-E1088 IonicContact NH2-OE2 3.99Å; R1086-E1088 PolarHBondContact NH2-OE2 3.16Å; R1086-E1088 PolarHBondContact O-N 2.94Å; R1086-T1114 PolarHBondContact NH2-OG1 3.5Å |
| 1087 | K | 79.5 | Confident | 86.4 | Confident | 93 Ų | 93 | 42.2 Ų | 42.2 | 40% | 0.404 | 20% | 0.199 | S | C | . | . | trans | -72.9 | 117.5 | 171 | -171.5 | -178.2 | -179.8 | -178.3 | 0 | 109.6 | E857 | E857-K1087 IonicContact OE1-NZ 2.77Å; E857-K1087 PolarHBondContact OE1-NZ 2.76Å | ||
| 1088 | E | 88.2 | Confident | 86.4 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -95.6 | 119.6 | 175.4 | -56.7 | -68.5 | 163.1 | 0 | 0 | 109.1 | D1077 F1078 D1079 S1084 R1086 A1113 T1114 L1117 | D1077-E1088 CarbonylContact C-O 3.57Å; D1077-E1088 WeakPolarHBondContact CA-O 3.44Å; F1078-E1088 HydrophobicContact CB-CB 3.91Å; F1078-E1088 PolarHBondContact N-O 3.13Å; D1079-E1088 HydrophobicContact CB-CB 3.92Å; D1079-E1088 HydrophobicContact CB-CG 3.77Å; S1084-E1088 WeakPolarHBondContact CB-OE1 3.22Å; S1084-E1088 PolarHBondContact OG-OE1 2.99Å; R1086-E1088 VanDerWaalsContact CG-OE1 3.32Å; R1086-E1088 WeakPolarHBondContact CG-OE1 3.09Å; R1086-E1088 IonicContact CZ-OE1 3.96Å; R1086-E1088 IonicContact CZ-OE2 2.67Å; R1086-E1088 IonicContact NE-OE1 3.41Å; R1086-E1088 PolarHBondContact NE-OE1 3.05Å; R1086-E1088 IonicContact NE-OE2 3.14Å; R1086-E1088 IonicContact NH2-OE1 2.76Å; R1086-E1088 IonicContact NH2-OE2 3.99Å; R1086-E1088 PolarHBondContact NH2-OE2 3.16Å; R1086-E1088 PolarHBondContact O-N 2.94Å; E1088-A1113 WeakPolarHBondContact OE2-CA 3.23Å; E1088-T1114 PolarHBondContact OE2-N 2.89Å; E1088-L1117 HydrophobicContact CG-CD1 3.83Å | ||
| 1089 | W | 87.5 | Confident | 86.1 | Confident | 20 Ų | 20 | 41.9 Ų | 41.9 | 8% | 0.076 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 156.7 | -168.4 | 66.8 | -89.1 | 0 | 0 | 0 | 114.8 | R855 I1076 F1078 V1112 | R855-W1089 VanDerWaalsContact C-CZ2 3.41Å; R855-W1089 HydrophobicContact CB-CZ2 4.29Å; I1076-W1089 WeakPolarHBondContact O-CA 3.31Å; F1078-W1089 VanDerWaalsContact CD2-C 3.46Å; F1078-W1089 VanDerWaalsContact CE2-O 3.29Å; F1078-W1089 WeakPolarHBondContact CE2-O 3.49Å; W1089-V1112 HydrophobicContact CZ2-CB 4.12Å; W1089-V1112 HydrophobicContact CZ2-CG2 4.05Å; W1089-V1112 PolarHBondContact N-O 2.93Å; W1089-V1112 VanDerWaalsContact O-O 3.13Å |
| 1090 | G | 89.9 | Confident | 85.7 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.5 | -162.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1076 R1109 | I1076-G1090 PolarHBondContact N-O 2.87Å; I1076-G1090 PolarHBondContact O-N 3.09Å; G1090-R1109 CarbonylContact C-O 3.6Å; G1090-R1109 WeakPolarHBondContact CA-O 3.35Å |
| 1091 | Q | 88.7 | Confident | 85.5 | Confident | 12 Ų | 12 | 43.9 Ų | 43.9 | 6% | 0.056 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 136.5 | 177.4 | -61.9 | -175.2 | -0 | 0 | 0 | 110.9 | L863 F1074 M1108 R1109 | L863-Q1091 HydrophobicContact CD1-CB 4.43Å; L863-Q1091 HydrophobicContact CD1-CG 4.01Å; F1074-Q1091 CarbonylContact O-C 3.52Å; F1074-Q1091 VanDerWaalsContact O-CA 3.22Å; F1074-Q1091 WeakPolarHBondContact O-CA 3.31Å; Q1091-M1108 CarbonylContact O-C 3.59Å; Q1091-M1108 VanDerWaalsContact O-CA 3.29Å; Q1091-M1108 WeakPolarHBondContact O-CA 3.21Å; Q1091-R1109 PolarHBondContact N-O 2.95Å; Q1091-R1109 PolarHBondContact O-N 3.25Å |
| 1092 | V | 90.6 | Very high | 85.5 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.024 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 132 | 167.1 | 170.2 | 0 | 0 | 0 | 0 | 108.3 | N1073 F1074 I1076 V1094 I1106 S1107 M1108 W1125 | N1073-V1092 CarbonylContact C-O 3.46Å; N1073-V1092 WeakPolarHBondContact CA-O 3.37Å; F1074-V1092 PolarHBondContact N-O 3.47Å; F1074-V1092 PolarHBondContact O-N 3.32Å; I1076-V1092 HydrophobicContact CB-CG2 3.84Å; I1076-V1092 HydrophobicContact CD1-CG2 3.58Å; I1076-V1092 HydrophobicContact CG1-CG2 4.33Å; I1076-V1092 HydrophobicContact CG2-CG2 3.8Å; V1092-V1094 HydrophobicContact CG1-CG1 3.79Å; V1092-I1106 HydrophobicContact CG1-CG2 3.97Å; V1092-S1107 CarbonylContact C-O 3.57Å; V1092-S1107 WeakPolarHBondContact CA-O 3.37Å; V1092-M1108 HydrophobicContact CG2-CE 3.97Å; V1092-M1108 HydrophobicContact CG2-CG 4.3Å; V1092-W1125 HydrophobicContact CG2-CH2 4.36Å |
| 1093 | R | 87 | Confident | 85.6 | Confident | 30 Ų | 30 | 28.6 Ų | 28.6 | 11% | 0.113 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 121.3 | -179.8 | -51.4 | -167.5 | -67.1 | 151.6 | 5.5 | 108.7 | E871 R1072 N1073 S1107 R1109 | E871-R1093 IonicContact OE1-CZ 2.8Å; E871-R1093 IonicContact OE1-NH2 3.21Å; E871-R1093 PolarHBondContact OE1-NH2 3.39Å; E871-R1093 IonicContact OE2-NH2 2.99Å; R1072-R1093 WeakPolarHBondContact O-CA 3.17Å; N1073-R1093 WeakPolarHBondContact OD1-CD 3.21Å; N1073-R1093 WeakPolarHBondContact OD1-CG 3.47Å; R1093-S1107 PolarHBondContact N-O 3.2Å; R1093-S1107 PolarHBondContact O-N 3.28Å; R1093-R1109 VanDerWaalsContact NH2-CZ 3.25Å; R1093-R1109 VanDerWaalsContact NH2-NE 3.18Å |
| 1094 | V | 89.3 | Confident | 85.8 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 158.3 | -179 | -63.7 | 0 | 0 | 0 | 0 | 111.3 | V1045 L1071 R1072 F1074 V1092 Y1104 I1106 | V1045-V1094 HydrophobicContact CG1-CG2 3.46Å; V1045-V1094 VanDerWaalsContact CG1-CG2 3.46Å; L1071-V1094 VanDerWaalsContact CD2-C 3.47Å; R1072-V1094 PolarHBondContact N-O 3.07Å; R1072-V1094 PolarHBondContact O-N 2.82Å; R1072-V1094 VanDerWaalsContact O-N 3.13Å; F1074-V1094 HydrophobicContact CD2-CG2 3.95Å; F1074-V1094 HydrophobicContact CE2-CG2 3.63Å; V1092-V1094 HydrophobicContact CG1-CG1 3.79Å; V1094-Y1104 HydrophobicContact CB-CE1 4.32Å; V1094-Y1104 WeakPolarHBondContact CB-OH 3.17Å; V1094-Y1104 HydrophobicContact CG1-CE1 4.23Å; V1094-I1106 HydrophobicContact CG1-CB 4.27Å; V1094-I1106 HydrophobicContact CG1-CG1 4.03Å; V1094-I1106 HydrophobicContact CG1-CG2 4.1Å |
| 1095 | S | 84.3 | Confident | 86 | Confident | 12 Ų | 12 | 24.6 Ų | 24.6 | 8% | 0.084 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 139.1 | 169.9 | -174.3 | 0 | 0 | 0 | 0 | 110.4 | S1097 Y1104 | S1095-S1097 PolarHBondContact O-N 3.42Å; S1095-S1097 VanDerWaalsContact O-N 3.15Å; S1095-S1097 PolarHBondContact OG-N 3.32Å; S1095-S1097 PolarHBondContact OG-O 2.92Å; S1095-S1097 PolarHBondContact OG-OG 3.42Å; S1095-Y1104 PolarHBondContact O-OH 3.31Å |
| 1096 | G | 85.2 | Confident | 86.7 | Confident | 6 Ų | 6 | 20.2 Ų | 20.2 | 6% | 0.062 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -66 | -7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R1048 | R1048-G1096 WeakPolarHBondContact CG-O 3.48Å; R1048-G1096 PolarHBondContact N-O 2.95Å |
| 1097 | S | 86 | Confident | 87 | Confident | 8 Ų | 8 | 19 Ų | 19 | 6% | 0.056 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 143.6 | 179.6 | 41.2 | 0 | 0 | 0 | 0 | 114 | R1048 S1095 | R1048-S1097 CarbonylContact O-C 3.35Å; R1048-S1097 VanDerWaalsContact O-CA 3.24Å; R1048-S1097 WeakPolarHBondContact O-CA 3.41Å; S1095-S1097 PolarHBondContact O-N 3.42Å; S1095-S1097 VanDerWaalsContact O-N 3.15Å; S1095-S1097 PolarHBondContact OG-N 3.32Å; S1095-S1097 PolarHBondContact OG-O 2.92Å; S1095-S1097 PolarHBondContact OG-OG 3.42Å |
| 1098 | Y | 88.9 | Confident | 87.5 | Confident | 9 Ų | 9 | 14.6 Ų | 14.6 | 4% | 0.035 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 138.2 | 173.6 | 173.7 | -106.6 | 0 | 0 | 0 | 111.2 | F916 R1048 V1049 V1050 T1100 Y1104 | F916-Y1098 HydrophobicContact CB-CD1 4.29Å; F916-Y1098 HydrophobicContact CB-CE1 3.79Å; F916-Y1098 HydrophobicContact CB-CE2 4.36Å; F916-Y1098 AromaticContact CD1-CD1 3.74Å; F916-Y1098 HydrophobicContact CD1-CD1 3.74Å; F916-Y1098 HydrophobicContact CD1-CD2 4.24Å; F916-Y1098 HydrophobicContact CD1-CE1 4.13Å; F916-Y1098 AromaticContact CD1-CG 3.78Å; F916-Y1098 HydrophobicContact CD1-CG 3.78Å; F916-Y1098 HydrophobicContact CD2-CD1 4.34Å; F916-Y1098 AromaticContact CD2-CD2 3.56Å; F916-Y1098 HydrophobicContact CD2-CD2 3.56Å; F916-Y1098 HydrophobicContact CD2-CE1 4.3Å; F916-Y1098 AromaticContact CD2-CE2 3.55Å; F916-Y1098 HydrophobicContact CD2-CE2 3.55Å; F916-Y1098 AromaticContact CD2-CG 3.98Å; F916-Y1098 HydrophobicContact CD2-CG 3.98Å; F916-Y1098 AromaticContact CD2-CZ 3.93Å; F916-Y1098 HydrophobicContact CE1-CD1 4.14Å; F916-Y1098 HydrophobicContact CE1-CD2 4.2Å; F916-Y1098 AromaticContact CE1-CG 3.75Å; F916-Y1098 HydrophobicContact CE1-CG 3.75Å; F916-Y1098 AromaticContact CE2-CD2 3.52Å; F916-Y1098 HydrophobicContact CE2-CD2 3.52Å; F916-Y1098 AromaticContact CE2-CE2 3.96Å; F916-Y1098 HydrophobicContact CE2-CE2 3.96Å; F916-Y1098 AromaticContact CE2-CG 3.95Å; F916-Y1098 HydrophobicContact CE2-CG 3.95Å; F916-Y1098 AromaticContact CG-CD1 3.86Å; F916-Y1098 HydrophobicContact CG-CD1 3.86Å; F916-Y1098 AromaticContact CG-CD2 3.93Å; F916-Y1098 HydrophobicContact CG-CD2 3.93Å; F916-Y1098 AromaticContact CG-CE1 3.8Å; F916-Y1098 HydrophobicContact CG-CE1 3.8Å; F916-Y1098 AromaticContact CG-CE2 3.93Å; F916-Y1098 HydrophobicContact CG-CE2 3.93Å; F916-Y1098 AromaticContact CG-CG 3.9Å; F916-Y1098 HydrophobicContact CG-CG 3.9Å; F916-Y1098 AromaticContact CG-CZ 3.85Å; F916-Y1098 AromaticContact CZ-CD2 3.86Å; F916-Y1098 HydrophobicContact CZ-CD2 3.86Å; F916-Y1098 AromaticContact CZ-CG 3.84Å; F916-Y1098 HydrophobicContact CZ-CG 3.84Å; R1048-Y1098 PolarHBondContact O-N 3.45Å; V1049-Y1098 HydrophobicContact CG1-CD1 4.36Å; V1049-Y1098 HydrophobicContact CG2-CD1 4.09Å; V1050-Y1098 PolarHBondContact N-O 3.36Å; Y1098-T1100 HydrophobicContact CE1-CG2 3.86Å; Y1098-Y1104 AromaticContact CD2-CD2 3.8Å; Y1098-Y1104 HydrophobicContact CD2-CD2 3.8Å; Y1098-Y1104 HydrophobicContact CD2-CG 4.09Å |
| 1099 | E | 84.3 | Confident | 87.5 | Confident | 43 Ų | 43 | 15.8 Ų | 15.8 | 20% | 0.201 | 8% | 0.08 | C | C | . | . | trans | -126.4 | 133.9 | 173.7 | -67.8 | -177.6 | -139 | 0 | 0 | 109.3 | V1050 N1101 L1102 | V1050-E1099 HydrophobicContact CB-CG 4.27Å; E1099-N1101 PolarHBondContact O-N 2.96Å; E1099-L1102 HydrophobicContact CB-CB 3.99Å; E1099-L1102 PolarHBondContact O-N 3.45Å | ||
| 1100 | T | 82.6 | Confident | 87.5 | Confident | 10 Ų | 10 | 14.9 Ų | 14.9 | 6% | 0.061 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -23.4 | -174.7 | 53 | 0 | 0 | 0 | 0 | 113.7 | Y909 V913 Y1098 | Y909-T1100 HydrophobicContact CD2-CG2 3.74Å; Y909-T1100 HydrophobicContact CE2-CG2 3.65Å; V913-T1100 HydrophobicContact CG2-CG2 3.92Å; Y1098-T1100 HydrophobicContact CE1-CG2 3.86Å |
| 1101 | N | 79.5 | Confident | 87.3 | Confident | 94 Ų | 94 | 14.9 Ų | 14.9 | 50% | 0.503 | 8% | 0.076 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 24.4 | -178.7 | -61.9 | -15.1 | 0 | 0 | 0 | 112.2 | E1099 L1191 | E1099-N1101 PolarHBondContact O-N 2.96Å; N1101-L1191 WeakPolarHBondContact O-CD1 3.38Å |
| 1102 | L | 84.3 | Confident | 87.1 | Confident | 28 Ų | 28 | 14.5 Ų | 14.5 | 15% | 0.147 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -137.5 | 142.6 | 178.3 | -173.8 | 74.2 | 0 | 0 | 0 | 109.5 | E1099 P1192 | E1099-L1102 HydrophobicContact CB-CB 3.99Å; E1099-L1102 PolarHBondContact O-N 3.45Å; L1102-P1192 HydrophobicContact CD1-CB 3.97Å; L1102-P1192 WeakPolarHBondContact CD1-O 3.38Å |
| 1103 | A | 89.2 | Confident | 87 | Confident | 4 Ų | 4 | 14.3 Ų | 14.3 | 3% | 0.033 | 7% | 0.073 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 131.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | M875 V877 L1191 P1192 M1193 I1205 | M875-A1103 HydrophobicContact SD-CB 3.98Å; V877-A1103 HydrophobicContact CG1-CB 3.77Å; A1103-L1191 HydrophobicContact CB-CD2 4.01Å; A1103-L1191 HydrophobicContact CB-CG 4.28Å; A1103-P1192 PolarHBondContact N-O 3.42Å; A1103-M1193 HydrophobicContact CB-CB 3.92Å; A1103-I1205 HydrophobicContact CB-CG2 3.66Å |
| 1104 | Y | 90.7 | Very high | 87.3 | Confident | 8 Ų | 8 | 13 Ų | 13 | 3% | 0.031 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 120.8 | -178.5 | -173.9 | -101.3 | 0 | 0 | 0 | 110.7 | L876 F916 V1047 V1094 S1095 Y1098 I1106 | L876-Y1104 PolarHBondContact N-O 3.47Å; L876-Y1104 PolarHBondContact O-N 2.71Å; L876-Y1104 VanDerWaalsContact O-N 3.08Å; F916-Y1104 AromaticContact CE2-CD1 3.78Å; F916-Y1104 HydrophobicContact CE2-CD1 3.78Å; F916-Y1104 HydrophobicContact CE2-CD2 4.23Å; F916-Y1104 AromaticContact CE2-CE1 3.97Å; F916-Y1104 HydrophobicContact CE2-CE1 3.97Å; F916-Y1104 HydrophobicContact CE2-CE2 4.42Å; F916-Y1104 AromaticContact CE2-CG 3.9Å; F916-Y1104 HydrophobicContact CE2-CG 3.9Å; F916-Y1104 HydrophobicContact CZ-CD1 4.36Å; F916-Y1104 HydrophobicContact CZ-CD2 4.42Å; F916-Y1104 HydrophobicContact CZ-CE1 4.12Å; F916-Y1104 HydrophobicContact CZ-CE2 4.2Å; F916-Y1104 HydrophobicContact CZ-CG 4.48Å; V1047-Y1104 HydrophobicContact CG1-CE2 4.07Å; V1047-Y1104 WeakPolarHBondContact CG2-OH 3.23Å; V1094-Y1104 HydrophobicContact CB-CE1 4.32Å; V1094-Y1104 WeakPolarHBondContact CB-OH 3.17Å; V1094-Y1104 HydrophobicContact CG1-CE1 4.23Å; S1095-Y1104 PolarHBondContact O-OH 3.31Å; Y1098-Y1104 AromaticContact CD2-CD2 3.8Å; Y1098-Y1104 HydrophobicContact CD2-CD2 3.8Å; Y1098-Y1104 HydrophobicContact CD2-CG 4.09Å; Y1104-I1106 HydrophobicContact CD1-CD1 4.3Å; Y1104-I1106 HydrophobicContact CD1-CG1 3.91Å; Y1104-I1106 HydrophobicContact CE1-CD1 4.38Å; Y1104-I1106 HydrophobicContact CE1-CG1 3.93Å |
| 1105 | E | 90 | Very high | 87.1 | Confident | 15 Ų | 15 | 13 Ų | 13 | 7% | 0.07 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 134.5 | -177.8 | -174.8 | 172.6 | 137 | 0 | 0 | 112.1 | R873 F874 M875 S1107 F1196 | R873-E1105 HydrophobicContact CG-CG 4.26Å; R873-E1105 IonicContact CZ-OE2 2.8Å; R873-E1105 VanDerWaalsContact NE-CD 3.28Å; R873-E1105 IonicContact NE-OE1 2.72Å; R873-E1105 IonicContact NE-OE2 2.68Å; R873-E1105 PolarHBondContact NE-OE2 2.61Å; R873-E1105 IonicContact NH2-OE2 3.04Å; R873-E1105 PolarHBondContact NH2-OE2 2.75Å; F874-E1105 WeakPolarHBondContact O-CA 3.43Å; M875-E1105 HydrophobicContact CE-CB 3.91Å; M875-E1105 HydrophobicContact CE-CG 3.96Å; M875-E1105 WeakPolarHBondContact CE-OE2 3.48Å; M875-E1105 HydrophobicContact SD-CB 3.97Å; M875-E1105 HydrophobicContact SD-CG 4.42Å; E1105-S1107 PolarHBondContact OE1-OG 3.38Å; E1105-F1196 HydrophobicContact CB-CE2 3.93Å; E1105-F1196 VanDerWaalsContact CD-CE2 3.49Å; E1105-F1196 HydrophobicContact CG-CE2 4.22Å; E1105-F1196 WeakPolarHBondContact OE1-CD2 3.37Å; E1105-F1196 WeakPolarHBondContact OE2-CD2 3.36Å; E1105-F1196 WeakPolarHBondContact OE2-CE2 3.43Å |
| 1106 | I | 91.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 116.1 | 170.4 | -54.7 | 177.1 | 0 | 0 | 0 | 107.9 | F874 F919 L923 V1092 V1094 Y1104 L1136 | F874-I1106 HydrophobicContact CB-CB 4.49Å; F874-I1106 PolarHBondContact N-O 3.14Å; F874-I1106 PolarHBondContact O-N 3.46Å; F919-I1106 HydrophobicContact CE1-CD1 3.61Å; F919-I1106 HydrophobicContact CZ-CD1 4.09Å; L923-I1106 HydrophobicContact CD1-CD1 4.03Å; V1092-I1106 HydrophobicContact CG1-CG2 3.97Å; V1094-I1106 HydrophobicContact CG1-CB 4.27Å; V1094-I1106 HydrophobicContact CG1-CG1 4.03Å; V1094-I1106 HydrophobicContact CG1-CG2 4.1Å; Y1104-I1106 HydrophobicContact CD1-CD1 4.3Å; Y1104-I1106 HydrophobicContact CD1-CG1 3.91Å; Y1104-I1106 HydrophobicContact CE1-CD1 4.38Å; Y1104-I1106 HydrophobicContact CE1-CG1 3.93Å; I1106-L1136 HydrophobicContact CD1-CD1 3.95Å |
| 1107 | S | 88.7 | Confident | 87.7 | Confident | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 141.7 | 179.4 | -65.9 | 0 | 0 | 0 | 0 | 109.7 | C872 V1092 R1093 E1105 | C872-S1107 CarbonylContact O-C 3.54Å; C872-S1107 WeakPolarHBondContact O-CA 3.4Å; V1092-S1107 CarbonylContact C-O 3.57Å; V1092-S1107 WeakPolarHBondContact CA-O 3.37Å; R1093-S1107 PolarHBondContact N-O 3.2Å; R1093-S1107 PolarHBondContact O-N 3.28Å; E1105-S1107 PolarHBondContact OE1-OG 3.38Å |
| 1108 | M | 90.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 141.1 | -178.1 | -45.4 | 179 | 76.3 | 0 | 0 | 110 | E871 C872 F874 I1076 F1078 Q1091 V1092 W1110 V1122 W1125 | E871-M1108 WeakPolarHBondContact CA-O 3.42Å; C872-M1108 PolarHBondContact N-O 3.06Å; C872-M1108 VanDerWaalsContact N-O 3.14Å; C872-M1108 PolarHBondContact O-N 3.18Å; F874-M1108 HydrophobicContact CE2-CG 4.32Å; F874-M1108 HydrophobicContact CE2-SD 3.92Å; I1076-M1108 HydrophobicContact CD1-CE 3.85Å; I1076-M1108 HydrophobicContact CG2-CE 4.45Å; F1078-M1108 HydrophobicContact CD1-CE 4.29Å; F1078-M1108 HydrophobicContact CE1-CE 3.39Å; F1078-M1108 HydrophobicContact CZ-CE 4.15Å; Q1091-M1108 CarbonylContact O-C 3.59Å; Q1091-M1108 VanDerWaalsContact O-CA 3.29Å; Q1091-M1108 WeakPolarHBondContact O-CA 3.21Å; V1092-M1108 HydrophobicContact CG2-CE 3.97Å; V1092-M1108 HydrophobicContact CG2-CG 4.3Å; M1108-W1110 HydrophobicContact CB-CE3 4.48Å; M1108-W1110 HydrophobicContact CB-CZ3 4.35Å; M1108-V1122 HydrophobicContact SD-CG2 3.78Å; M1108-W1125 HydrophobicContact CE-CH2 3.73Å; M1108-W1125 HydrophobicContact CE-CZ3 3.71Å; M1108-W1125 HydrophobicContact SD-CH2 4.42Å; M1108-W1125 HydrophobicContact SD-CZ3 3.8Å |
| 1109 | R | 87.9 | Confident | 88.2 | Confident | 26 Ų | 26 | 12 Ų | 12 | 10% | 0.098 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 136.7 | 177.1 | -72.3 | -174.1 | 172.3 | 176.1 | -2.4 | 111.5 | L863 F870 E871 G1090 Q1091 R1093 | L863-R1109 HydrophobicContact CD1-CB 4.04Å; F870-R1109 VanDerWaalsContact O-CA 3.26Å; F870-R1109 WeakPolarHBondContact O-CA 3.43Å; E871-R1109 HydrophobicContact CB-CG 4.31Å; E871-R1109 HydrophobicContact CG-CG 4.11Å; E871-R1109 IonicContact OE1-NE 2.71Å; E871-R1109 IonicContact OE1-NH2 2.88Å; E871-R1109 IonicContact OE2-CZ 3.38Å; E871-R1109 IonicContact OE2-NE 3.8Å; E871-R1109 PolarHBondContact OE2-NE 2.91Å; E871-R1109 IonicContact OE2-NH2 3.75Å; E871-R1109 PolarHBondContact OE2-NH2 3.49Å; G1090-R1109 CarbonylContact C-O 3.6Å; G1090-R1109 WeakPolarHBondContact CA-O 3.35Å; Q1091-R1109 PolarHBondContact N-O 2.95Å; Q1091-R1109 PolarHBondContact O-N 3.25Å; R1093-R1109 VanDerWaalsContact NH2-CZ 3.25Å; R1093-R1109 VanDerWaalsContact NH2-NE 3.18Å |
| 1110 | W | 89.4 | Confident | 88.5 | Confident | 1 Ų | 1 | 12.7 Ų | 12.7 | 0% | 0.004 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 162.2 | 175.7 | 70.3 | 95.2 | 0 | 0 | 0 | 112.3 | F332 C869 F870 F1078 M1108 A1113 V1118 | F332-W1110 HydrophobicContact CE1-CH2 4.1Å; F332-W1110 HydrophobicContact CE1-CZ2 4.05Å; F332-W1110 AromaticContact CZ-CH2 3.71Å; F332-W1110 HydrophobicContact CZ-CH2 3.71Å; F332-W1110 HydrophobicContact CZ-CZ2 4.14Å; C869-W1110 WeakPolarHBondContact CB-O 3.24Å; F870-W1110 HydrophobicContact CB-CD2 3.78Å; F870-W1110 VanDerWaalsContact CB-CE2 3.4Å; F870-W1110 HydrophobicContact CB-CE3 4.22Å; F870-W1110 HydrophobicContact CB-CG 4.29Å; F870-W1110 HydrophobicContact CB-CH2 3.98Å; F870-W1110 HydrophobicContact CB-CZ2 3.54Å; F870-W1110 HydrophobicContact CB-CZ3 4.3Å; F870-W1110 AromaticContact CD2-CD1 3.95Å; F870-W1110 AromaticContact CD2-NE1 3.61Å; F870-W1110 HydrophobicContact CG-CZ2 4.23Å; F870-W1110 AromaticContact CG-NE1 3.91Å; F870-W1110 PolarHBondContact N-O 2.78Å; F870-W1110 PolarHBondContact O-N 2.63Å; F870-W1110 VanDerWaalsContact O-N 3.08Å; F1078-W1110 HydrophobicContact CE2-CB 3.66Å; F1078-W1110 HydrophobicContact CE2-CD2 4.4Å; F1078-W1110 AromaticContact CE2-CG 3.98Å; F1078-W1110 HydrophobicContact CE2-CG 3.98Å; F1078-W1110 HydrophobicContact CZ-CB 4.05Å; F1078-W1110 HydrophobicContact CZ-CD2 4.16Å; F1078-W1110 HydrophobicContact CZ-CE3 4.04Å; F1078-W1110 HydrophobicContact CZ-CG 4.2Å; M1108-W1110 HydrophobicContact CB-CE3 4.48Å; M1108-W1110 HydrophobicContact CB-CZ3 4.35Å; W1110-A1113 VanDerWaalsContact CD1-CB 3.46Å; W1110-A1113 HydrophobicContact CG-CB 4.05Å; W1110-V1118 HydrophobicContact CH2-CG1 4.21Å; W1110-V1118 HydrophobicContact CZ2-CG1 4.32Å; W1110-V1118 HydrophobicContact CZ3-CG1 4.41Å |
| 1111 | V | 84.1 | Confident | 89 | Confident | 2 Ų | 2 | 12.9 Ų | 12.9 | 1% | 0.012 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -122.7 | -42.8 | 175.1 | 174 | 0 | 0 | 0 | 0 | 109.5 | Q746 Q749 L848 M851 L863 C869 | Q746-V1111 PolarHBondContact NE2-O 3.18Å; Q746-V1111 VanDerWaalsContact NE2-O 3.14Å; Q749-V1111 PolarHBondContact OE1-O 2.89Å; L848-V1111 HydrophobicContact CD1-CG1 4.23Å; M851-V1111 HydrophobicContact CE-CB 4.03Å; M851-V1111 HydrophobicContact CE-CG1 3.91Å; M851-V1111 HydrophobicContact CE-CG2 3.72Å; L863-V1111 HydrophobicContact CD2-CG2 3.53Å; C869-V1111 HydrophobicContact CB-CG2 3.57Å |
| 1112 | V | 84.7 | Confident | 89.6 | Confident | 4 Ų | 4 | 8.4 Ų | 8.4 | 2% | 0.024 | 4% | 0.043 | C | C | . | . | S | Bend | trans | -112.1 | 92.4 | -179.9 | -178.1 | 0 | 0 | 0 | 0 | 109.7 | E742 I852 W1089 | E742-V1112 HydrophobicContact CG-CG1 4.26Å; E742-V1112 HydrophobicContact CG-CG2 4.24Å; E742-V1112 WeakPolarHBondContact OE1-CG1 3.49Å; I852-V1112 HydrophobicContact CG2-CG2 4.43Å; W1089-V1112 HydrophobicContact CZ2-CB 4.12Å; W1089-V1112 HydrophobicContact CZ2-CG2 4.05Å; W1089-V1112 PolarHBondContact N-O 2.93Å; W1089-V1112 VanDerWaalsContact O-O 3.13Å |
| 1113 | A | 89.9 | Confident | 90 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.046 | C | C | . | . | trans | -154 | 144.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1078 E1088 W1110 S1115 V1118 | F1078-A1113 HydrophobicContact CD2-CB 3.61Å; F1078-A1113 HydrophobicContact CE2-CB 3.91Å; F1078-A1113 HydrophobicContact CG-CB 4.41Å; E1088-A1113 WeakPolarHBondContact OE2-CA 3.23Å; W1110-A1113 VanDerWaalsContact CD1-CB 3.46Å; W1110-A1113 HydrophobicContact CG-CB 4.05Å; A1113-S1115 PolarHBondContact O-N 3.08Å; A1113-V1118 HydrophobicContact CB-CG2 3.69Å | ||
| 1114 | T | 91.4 | Very high | 90.1 | Very high | 2 Ų | 2 | 11.5 Ų | 11.5 | 1% | 0.012 | 6% | 0.058 | C | C | . | . | trans | -74.7 | 120.3 | 168.2 | -75.1 | 0 | 0 | 0 | 0 | 109.6 | D118 C140 I142 R1086 E1088 S1116 L1117 V1118 | D118-T1114 WeakPolarHBondContact OD1-CB 3.47Å; D118-T1114 WeakPolarHBondContact OD1-CG2 3.07Å; D118-T1114 PolarHBondContact OD1-OG1 3.35Å; C140-T1114 HydrophobicContact CB-CG2 4.23Å; I142-T1114 HydrophobicContact CD1-CG2 4.14Å; I142-T1114 HydrophobicContact CG1-CG2 4.42Å; R1086-T1114 PolarHBondContact NH2-OG1 3.5Å; E1088-T1114 PolarHBondContact OE2-N 2.89Å; T1114-S1116 VanDerWaalsContact C-N 3.33Å; T1114-S1116 VanDerWaalsContact CG2-OG 3.24Å; T1114-S1116 WeakPolarHBondContact CG2-OG 3.49Å; T1114-S1116 PolarHBondContact O-N 3Å; T1114-L1117 HydrophobicContact CG2-CD1 4.22Å; T1114-L1117 HydrophobicContact CG2-CG 4.11Å; T1114-L1117 PolarHBondContact O-N 2.88Å; T1114-L1117 VanDerWaalsContact O-N 3.12Å; T1114-V1118 PolarHBondContact O-N 3.49Å | ||
| 1115 | S | 86.9 | Confident | 90.3 | Very high | 1 Ų | 1 | 11.3 Ų | 11.3 | 1% | 0.007 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -68.3 | -29.3 | -164.8 | -65.4 | 0 | 0 | 0 | 0 | 113.9 | Y113 F332 A1113 L1117 V1118 G1119 | Y113-S1115 WeakPolarHBondContact CD1-OG 3.43Å; F332-S1115 WeakPolarHBondContact CD1-O 3.33Å; A1113-S1115 PolarHBondContact O-N 3.08Å; S1115-L1117 VanDerWaalsContact C-N 3.33Å; S1115-L1117 PolarHBondContact O-N 3.4Å; S1115-V1118 PolarHBondContact O-N 3.39Å; S1115-G1119 PolarHBondContact O-N 2.74Å |
| 1116 | S | 89.3 | Confident | 90.5 | Very high | 9 Ų | 9 | 11.5 Ų | 11.5 | 6% | 0.063 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -61.2 | -41.1 | 173.5 | 51.8 | 0 | 0 | 0 | 0 | 111.7 | C140 I142 T1114 G1119 D1120 | C140-S1116 PolarHBondContact O-OG 3.14Å; I142-S1116 WeakPolarHBondContact CG1-OG 3.07Å; T1114-S1116 VanDerWaalsContact C-N 3.33Å; T1114-S1116 VanDerWaalsContact CG2-OG 3.24Å; T1114-S1116 WeakPolarHBondContact CG2-OG 3.49Å; T1114-S1116 PolarHBondContact O-N 3Å; S1116-G1119 PolarHBondContact O-N 2.58Å; S1116-D1120 WeakPolarHBondContact O-CB 3.33Å; S1116-D1120 VanDerWaalsContact O-CG 3.27Å; S1116-D1120 PolarHBondContact O-N 2.83Å |
| 1117 | L | 92.8 | Very high | 90.6 | Very high | 5 Ų | 5 | 17.5 Ų | 17.5 | 3% | 0.026 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -68.8 | -41.7 | 179.6 | -61 | 176.1 | 0 | 0 | 0 | 111.4 | C140 D1079 R1083 E1088 T1114 S1115 G1119 D1120 L1121 | C140-L1117 HydrophobicContact CB-CD1 4.42Å; C140-L1117 WeakPolarHBondContact O-CD2 3.19Å; D1079-L1117 HydrophobicContact CB-CD1 4.05Å; R1083-L1117 HydrophobicContact CB-CD2 4.25Å; E1088-L1117 HydrophobicContact CG-CD1 3.83Å; T1114-L1117 HydrophobicContact CG2-CD1 4.22Å; T1114-L1117 HydrophobicContact CG2-CG 4.11Å; T1114-L1117 PolarHBondContact O-N 2.88Å; T1114-L1117 VanDerWaalsContact O-N 3.12Å; S1115-L1117 VanDerWaalsContact C-N 3.33Å; S1115-L1117 PolarHBondContact O-N 3.4Å; L1117-G1119 VanDerWaalsContact C-N 3.35Å; L1117-G1119 PolarHBondContact O-N 3.36Å; L1117-D1120 PolarHBondContact O-N 3.44Å; L1117-L1121 WeakPolarHBondContact O-CB 3.12Å; L1117-L1121 PolarHBondContact O-N 3.22Å |
| 1118 | V | 92.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58 | -49.2 | 172.1 | -175.7 | 0 | 0 | 0 | 0 | 110.4 | F332 F1078 W1110 A1113 T1114 S1115 D1120 L1121 V1122 | F332-V1118 HydrophobicContact CE1-CB 3.9Å; F332-V1118 HydrophobicContact CE1-CG1 3.73Å; F332-V1118 HydrophobicContact CE2-CG1 4.35Å; F332-V1118 HydrophobicContact CZ-CB 4.16Å; F332-V1118 HydrophobicContact CZ-CG1 3.48Å; F332-V1118 VanDerWaalsContact CZ-CG1 3.48Å; F1078-V1118 HydrophobicContact CB-CG2 4.23Å; F1078-V1118 HydrophobicContact CD1-CB 4.15Å; F1078-V1118 HydrophobicContact CD1-CG1 3.97Å; F1078-V1118 HydrophobicContact CD1-CG2 3.73Å; F1078-V1118 HydrophobicContact CD2-CG2 4.07Å; F1078-V1118 HydrophobicContact CE1-CB 4.31Å; F1078-V1118 HydrophobicContact CE1-CG1 3.69Å; F1078-V1118 HydrophobicContact CE1-CG2 3.96Å; F1078-V1118 HydrophobicContact CE2-CG2 4.29Å; F1078-V1118 HydrophobicContact CG-CG2 3.78Å; F1078-V1118 HydrophobicContact CZ-CG1 4.35Å; F1078-V1118 HydrophobicContact CZ-CG2 4.25Å; W1110-V1118 HydrophobicContact CH2-CG1 4.21Å; W1110-V1118 HydrophobicContact CZ2-CG1 4.32Å; W1110-V1118 HydrophobicContact CZ3-CG1 4.41Å; A1113-V1118 HydrophobicContact CB-CG2 3.69Å; T1114-V1118 PolarHBondContact O-N 3.49Å; S1115-V1118 PolarHBondContact O-N 3.39Å; V1118-D1120 PolarHBondContact O-N 2.89Å; V1118-L1121 PolarHBondContact O-N 2.92Å; V1118-V1122 WeakPolarHBondContact O-CG2 3.48Å; V1118-V1122 PolarHBondContact O-N 3.45Å |
| 1119 | G | 91.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.4 | -40.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S1115 S1116 L1117 H1123 R1233 | S1115-G1119 PolarHBondContact O-N 2.74Å; S1116-G1119 PolarHBondContact O-N 2.58Å; L1117-G1119 VanDerWaalsContact C-N 3.35Å; L1117-G1119 PolarHBondContact O-N 3.36Å; G1119-H1123 VanDerWaalsContact O-CB 3.26Å; G1119-H1123 WeakPolarHBondContact O-CB 3.16Å; G1119-H1123 PolarHBondContact O-N 2.79Å; G1119-R1233 PolarHBondContact O-NH1 3.36Å |
| 1120 | D | 91.6 | Very high | 91.3 | Very high | 58 Ų | 58 | 22.9 Ų | 22.9 | 31% | 0.31 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -65.2 | -41.9 | 176.8 | -76.9 | -7.9 | 0 | 0 | 0 | 111.6 | R1083 S1116 L1117 V1118 N1124 | R1083-D1120 IonicContact CZ-OD2 3.59Å; R1083-D1120 IonicContact NH1-OD2 3.17Å; R1083-D1120 PolarHBondContact NH1-OD2 3.16Å; S1116-D1120 WeakPolarHBondContact O-CB 3.33Å; S1116-D1120 VanDerWaalsContact O-CG 3.27Å; S1116-D1120 PolarHBondContact O-N 2.83Å; L1117-D1120 PolarHBondContact O-N 3.44Å; V1118-D1120 PolarHBondContact O-N 2.89Å; D1120-N1124 WeakPolarHBondContact O-CB 3.46Å; D1120-N1124 PolarHBondContact O-N 2.83Å |
| 1121 | L | 93 | Very high | 91.4 | Very high | 13 Ų | 13 | 27 Ų | 27 | 7% | 0.068 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.7 | -51.7 | 177.5 | 179 | 66.7 | 0 | 0 | 0 | 111.3 | I1076 F1078 L1117 V1118 H1123 N1124 W1125 | I1076-L1121 HydrophobicContact CD1-CD2 3.95Å; I1076-L1121 HydrophobicContact CG1-CD2 4.43Å; F1078-L1121 HydrophobicContact CD1-CD2 3.85Å; L1117-L1121 WeakPolarHBondContact O-CB 3.12Å; L1117-L1121 PolarHBondContact O-N 3.22Å; V1118-L1121 PolarHBondContact O-N 2.92Å; L1121-H1123 VanDerWaalsContact C-N 3.35Å; L1121-H1123 PolarHBondContact O-N 2.79Å; L1121-N1124 WeakPolarHBondContact O-CB 3.4Å; L1121-N1124 PolarHBondContact O-N 2.89Å; L1121-W1125 HydrophobicContact CD1-CZ2 4.37Å; L1121-W1125 HydrophobicContact CD2-CH2 4.44Å; L1121-W1125 HydrophobicContact CD2-CZ2 4.06Å; L1121-W1125 HydrophobicContact CG-CD2 4.48Å; L1121-W1125 HydrophobicContact CG-CZ2 4.14Å; L1121-W1125 PolarHBondContact O-N 3.18Å |
| 1122 | V | 92.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.8 | -42.6 | 179.8 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | F874 M1108 V1118 N1124 W1125 W1126 Y1234 | F874-V1122 HydrophobicContact CD1-CG1 4.27Å; F874-V1122 HydrophobicContact CE1-CG1 3.37Å; F874-V1122 HydrophobicContact CE2-CG1 4.17Å; F874-V1122 HydrophobicContact CE2-CG2 4.26Å; F874-V1122 HydrophobicContact CZ-CB 4.31Å; F874-V1122 HydrophobicContact CZ-CG1 3.33Å; F874-V1122 HydrophobicContact CZ-CG2 4.01Å; M1108-V1122 HydrophobicContact SD-CG2 3.78Å; V1118-V1122 WeakPolarHBondContact O-CG2 3.48Å; V1118-V1122 PolarHBondContact O-N 3.45Å; V1122-N1124 VanDerWaalsContact C-N 3.29Å; V1122-N1124 PolarHBondContact O-N 3.42Å; V1122-W1125 HydrophobicContact CG2-CE3 4.47Å; V1122-W1125 WeakPolarHBondContact O-CB 3.4Å; V1122-W1125 PolarHBondContact O-N 3.05Å; V1122-W1125 VanDerWaalsContact O-N 3.1Å; V1122-W1126 PolarHBondContact O-N 3.17Å; V1122-Y1234 HydrophobicContact CG1-CE1 4.26Å; V1122-Y1234 WeakPolarHBondContact CG1-OH 3.39Å |
| 1123 | H | 91.9 | Very high | 92 | Very high | 43 Ų | 43 | 28.7 Ų | 28.7 | 20% | 0.199 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.6 | -37 | 177.4 | -177.9 | 59.6 | 0 | 0 | 0 | 112.1 | G1119 L1121 W1126 R1127 R1233 | G1119-H1123 VanDerWaalsContact O-CB 3.26Å; G1119-H1123 WeakPolarHBondContact O-CB 3.16Å; G1119-H1123 PolarHBondContact O-N 2.79Å; L1121-H1123 VanDerWaalsContact C-N 3.35Å; L1121-H1123 PolarHBondContact O-N 2.79Å; H1123-W1126 AromaticContact CE1-CE3 3.68Å; H1123-W1126 AromaticContact CE1-CZ3 3.73Å; H1123-W1126 AromaticContact ND1-CE3 3.76Å; H1123-W1126 PolarHBondContact O-N 2.92Å; H1123-R1127 PolarHBondContact O-N 2.9Å; H1123-R1233 HydrophobicContact CB-CG 4.25Å; H1123-R1233 PolarHBondContact CE1-O 2.94Å; H1123-R1233 VanDerWaalsContact CE1-O 3.23Å; H1123-R1233 WeakPolarHBondContact ND1-CG 3.25Å; H1123-R1233 PolarHBondContact ND1-O 3.46Å |
| 1124 | N | 92.6 | Very high | 92.2 | Very high | 54 Ų | 54 | 28.9 Ų | 28.9 | 29% | 0.289 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -63.9 | -39.7 | 172.1 | -177.4 | 57.5 | 0 | 0 | 0 | 112.1 | D1120 L1121 V1122 R1127 K1128 | D1120-N1124 WeakPolarHBondContact O-CB 3.46Å; D1120-N1124 PolarHBondContact O-N 2.83Å; L1121-N1124 WeakPolarHBondContact O-CB 3.4Å; L1121-N1124 PolarHBondContact O-N 2.89Å; V1122-N1124 VanDerWaalsContact C-N 3.29Å; V1122-N1124 PolarHBondContact O-N 3.42Å; N1124-R1127 PolarHBondContact O-N 3.3Å; N1124-R1127 PolarHBondContact OD1-NH2 3.46Å; N1124-R1127 VanDerWaalsContact OD1-NH2 3.09Å; N1124-K1128 WeakPolarHBondContact O-CB 3.45Å; N1124-K1128 VanDerWaalsContact O-CG 3.27Å; N1124-K1128 WeakPolarHBondContact O-CG 3.32Å; N1124-K1128 PolarHBondContact O-N 2.94Å |
| 1125 | W | 94.3 | Very high | 92.3 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.015 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.7 | -42.9 | 173.7 | -67.7 | -14.5 | 0 | 0 | 0 | 112.8 | L923 I1076 V1092 M1108 L1121 V1122 K1128 S1129 L1136 | L923-W1125 HydrophobicContact CG-CH2 4.48Å; L923-W1125 HydrophobicContact CG-CZ2 4.27Å; I1076-W1125 HydrophobicContact CD1-CH2 3.28Å; I1076-W1125 HydrophobicContact CD1-CZ2 3.48Å; I1076-W1125 VanDerWaalsContact CD1-CZ2 3.48Å; I1076-W1125 HydrophobicContact CD1-CZ3 4.49Å; V1092-W1125 HydrophobicContact CG2-CH2 4.36Å; M1108-W1125 HydrophobicContact CE-CH2 3.73Å; M1108-W1125 HydrophobicContact CE-CZ3 3.71Å; M1108-W1125 HydrophobicContact SD-CH2 4.42Å; M1108-W1125 HydrophobicContact SD-CZ3 3.8Å; L1121-W1125 HydrophobicContact CD1-CZ2 4.37Å; L1121-W1125 HydrophobicContact CD2-CH2 4.44Å; L1121-W1125 HydrophobicContact CD2-CZ2 4.06Å; L1121-W1125 HydrophobicContact CG-CD2 4.48Å; L1121-W1125 HydrophobicContact CG-CZ2 4.14Å; L1121-W1125 PolarHBondContact O-N 3.18Å; V1122-W1125 HydrophobicContact CG2-CE3 4.47Å; V1122-W1125 WeakPolarHBondContact O-CB 3.4Å; V1122-W1125 PolarHBondContact O-N 3.05Å; V1122-W1125 VanDerWaalsContact O-N 3.1Å; W1125-K1128 PolarHBondContact O-N 3.2Å; W1125-S1129 WeakPolarHBondContact O-CB 3.36Å; W1125-S1129 PolarHBondContact O-N 2.92Å; W1125-L1136 HydrophobicContact CB-CD2 3.67Å; W1125-L1136 HydrophobicContact CE3-CD2 4.28Å |
| 1126 | W | 93.9 | Very high | 92.7 | Very high | 20 Ų | 20 | 28.8 Ų | 28.8 | 8% | 0.076 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.7 | -49.1 | 174.7 | 172.9 | 75.7 | 0 | 0 | 0 | 112.2 | V1122 H1123 K1128 S1129 I1130 N1135 R1233 Y1234 | V1122-W1126 PolarHBondContact O-N 3.17Å; H1123-W1126 AromaticContact CE1-CE3 3.68Å; H1123-W1126 AromaticContact CE1-CZ3 3.73Å; H1123-W1126 AromaticContact ND1-CE3 3.76Å; H1123-W1126 PolarHBondContact O-N 2.92Å; W1126-K1128 VanDerWaalsContact C-N 3.25Å; W1126-K1128 PolarHBondContact O-N 3.49Å; W1126-S1129 PolarHBondContact O-N 3.16Å; W1126-S1129 VanDerWaalsContact O-N 3.1Å; W1126-S1129 PolarHBondContact O-OG 3.16Å; W1126-I1130 HydrophobicContact CD2-CD1 4.1Å; W1126-I1130 VanDerWaalsContact CE2-CD1 3.5Å; W1126-I1130 HydrophobicContact CH2-CD1 3.87Å; W1126-I1130 HydrophobicContact CZ2-CD1 3.39Å; W1126-I1130 HydrophobicContact CZ3-CD1 4.39Å; W1126-I1130 PolarHBondContact O-N 3.05Å; W1126-I1130 VanDerWaalsContact O-N 3.17Å; W1126-N1135 PolarHBondContact NE1-OD1 2.85Å; W1126-R1233 WeakPolarHBondContact CZ3-O 3.32Å; W1126-Y1234 HydrophobicContact CB-CD1 4.08Å; W1126-Y1234 HydrophobicContact CB-CE1 4.21Å; W1126-Y1234 AromaticContact CD1-CD1 3.98Å; W1126-Y1234 HydrophobicContact CD2-CD1 4.15Å; W1126-Y1234 AromaticContact CG-CD1 3.78Å; W1126-Y1234 HydrophobicContact CG-CD1 3.78Å; W1126-Y1234 HydrophobicContact CG-CE1 4.4Å; W1126-Y1234 WeakPolarHBondContact CZ2-O 3.38Å |
| 1127 | R | 93.5 | Very high | 92.8 | Very high | 125 Ų | 125 | 28.3 Ų | 28.3 | 47% | 0.472 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -57.3 | -40.9 | 176.3 | -73 | -172.2 | -68.2 | 114.3 | 3.8 | 111.9 | H1123 N1124 S1131 | H1123-R1127 PolarHBondContact O-N 2.9Å; N1124-R1127 PolarHBondContact O-N 3.3Å; N1124-R1127 PolarHBondContact OD1-NH2 3.46Å; N1124-R1127 VanDerWaalsContact OD1-NH2 3.09Å; R1127-S1131 PolarHBondContact O-N 2.62Å |
| 1128 | K | 94.8 | Very high | 92.8 | Very high | 95 Ų | 95 | 28.4 Ų | 28.4 | 41% | 0.413 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -72 | -33.7 | 177.7 | -69 | -65.2 | -177.7 | -175.6 | 0 | 112.7 | V922 N1124 W1125 W1126 I1130 S1131 V1132 | V922-K1128 HydrophobicContact CG1-CB 3.84Å; V922-K1128 HydrophobicContact CG1-CG 4.04Å; V922-K1128 HydrophobicContact CG2-CB 4.23Å; N1124-K1128 WeakPolarHBondContact O-CB 3.45Å; N1124-K1128 VanDerWaalsContact O-CG 3.27Å; N1124-K1128 WeakPolarHBondContact O-CG 3.32Å; N1124-K1128 PolarHBondContact O-N 2.94Å; W1125-K1128 PolarHBondContact O-N 3.2Å; W1126-K1128 VanDerWaalsContact C-N 3.25Å; W1126-K1128 PolarHBondContact O-N 3.49Å; K1128-I1130 VanDerWaalsContact C-N 3.3Å; K1128-I1130 PolarHBondContact O-N 3.41Å; K1128-S1131 PolarHBondContact O-N 2.64Å; K1128-S1131 PolarHBondContact O-OG 2.98Å; K1128-V1132 PolarHBondContact O-N 3.38Å |
| 1129 | S | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.6 | -44.9 | 175.4 | 82 | 0 | 0 | 0 | 0 | 110.2 | W1125 W1126 S1131 V1132 G1133 L1134 N1135 L1136 | W1125-S1129 WeakPolarHBondContact O-CB 3.36Å; W1125-S1129 PolarHBondContact O-N 2.92Å; W1126-S1129 PolarHBondContact O-N 3.16Å; W1126-S1129 VanDerWaalsContact O-N 3.1Å; W1126-S1129 PolarHBondContact O-OG 3.16Å; S1129-S1131 VanDerWaalsContact C-N 3.3Å; S1129-S1131 PolarHBondContact O-N 3.15Å; S1129-V1132 CarbonylContact O-C 3.59Å; S1129-V1132 WeakPolarHBondContact O-CG2 3.12Å; S1129-V1132 PolarHBondContact O-N 2.79Å; S1129-G1133 PolarHBondContact O-N 3.32Å; S1129-L1134 CarbonylContact C-O 3.56Å; S1129-L1134 WeakPolarHBondContact CB-O 3.49Å; S1129-L1134 CarbonylContact O-C 3.53Å; S1129-L1134 PolarHBondContact O-N 3.13Å; S1129-L1134 PolarHBondContact OG-O 2.71Å; S1129-N1135 WeakPolarHBondContact OG-CA 3.39Å; S1129-L1136 PolarHBondContact OG-N 3.25Å |
| 1130 | I | 93.1 | Very high | 92.4 | Very high | 44 Ų | 44 | 28.8 Ų | 28.8 | 23% | 0.226 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.6 | -43.9 | 179.4 | -66.1 | 175.1 | 0 | 0 | 0 | 110.5 | F879 W1126 K1128 V1132 G1133 L1134 V1239 | F879-I1130 HydrophobicContact CZ-CG2 4.41Å; W1126-I1130 HydrophobicContact CD2-CD1 4.1Å; W1126-I1130 VanDerWaalsContact CE2-CD1 3.5Å; W1126-I1130 HydrophobicContact CH2-CD1 3.87Å; W1126-I1130 HydrophobicContact CZ2-CD1 3.39Å; W1126-I1130 HydrophobicContact CZ3-CD1 4.39Å; W1126-I1130 PolarHBondContact O-N 3.05Å; W1126-I1130 VanDerWaalsContact O-N 3.17Å; K1128-I1130 VanDerWaalsContact C-N 3.3Å; K1128-I1130 PolarHBondContact O-N 3.41Å; I1130-V1132 PolarHBondContact O-N 2.75Å; I1130-V1132 VanDerWaalsContact O-N 3.14Å; I1130-G1133 PolarHBondContact O-N 2.96Å; I1130-L1134 VanDerWaalsContact CA-O 3.25Å; I1130-L1134 WeakPolarHBondContact CA-O 3.42Å; I1130-L1134 PolarHBondContact N-O 2.87Å; I1130-V1239 HydrophobicContact CD1-CG2 4.41Å; I1130-V1239 HydrophobicContact CG1-CG2 4.48Å; I1130-V1239 HydrophobicContact CG2-CG2 4.18Å |
| 1131 | S | 90.9 | Very high | 91.9 | Very high | 87 Ų | 87 | 26.7 Ų | 26.7 | 61% | 0.608 | 14% | 0.138 | S | C | * | . | H | α-helix | trans | -62.6 | -20.8 | 179 | 74 | 0 | 0 | 0 | 0 | 114.5 | R1127 K1128 S1129 | R1127-S1131 PolarHBondContact O-N 2.62Å; K1128-S1131 PolarHBondContact O-N 2.64Å; K1128-S1131 PolarHBondContact O-OG 2.98Å; S1129-S1131 VanDerWaalsContact C-N 3.3Å; S1129-S1131 PolarHBondContact O-N 3.15Å |
| 1132 | V | 91.4 | Very high | 91.2 | Very high | 26 Ų | 26 | 27.6 Ų | 27.6 | 16% | 0.158 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 7.5 | 175.4 | -55.5 | 0 | 0 | 0 | 0 | 112.9 | R915 K918 F919 K1128 S1129 I1130 L1134 | R915-V1132 WeakPolarHBondContact CB-O 3.35Å; R915-V1132 WeakPolarHBondContact CG-O 3.31Å; K918-V1132 HydrophobicContact CB-CB 4.22Å; K918-V1132 HydrophobicContact CB-CG1 3.82Å; K918-V1132 HydrophobicContact CD-CG1 4.45Å; F919-V1132 HydrophobicContact CB-CG2 4.2Å; K1128-V1132 PolarHBondContact O-N 3.38Å; S1129-V1132 CarbonylContact O-C 3.59Å; S1129-V1132 WeakPolarHBondContact O-CG2 3.12Å; S1129-V1132 PolarHBondContact O-N 2.79Å; I1130-V1132 PolarHBondContact O-N 2.75Å; I1130-V1132 VanDerWaalsContact O-N 3.14Å; V1132-L1134 HydrophobicContact CG2-CB 4.37Å; V1132-L1134 HydrophobicContact CG2-CD1 4.28Å; V1132-L1134 HydrophobicContact CG2-CG 4.33Å |
| 1133 | G | 90.3 | Very high | 90.6 | Very high | 17 Ų | 17 | 27.8 Ų | 27.8 | 18% | 0.175 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 26.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | S1129 I1130 | S1129-G1133 PolarHBondContact O-N 3.32Å; I1130-G1133 PolarHBondContact O-N 2.96Å |
| 1134 | L | 93.9 | Very high | 90 | Very high | 4 Ų | 4 | 25.8 Ų | 25.8 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 164.1 | 174.6 | -60.7 | 175.7 | 0 | 0 | 0 | 110.8 | L876 V877 P878 F879 R915 F919 S1129 I1130 V1132 | L876-L1134 HydrophobicContact CD1-CB 3.85Å; L876-L1134 HydrophobicContact CD1-CD1 4.21Å; L876-L1134 HydrophobicContact CD2-CD1 3.95Å; L876-L1134 HydrophobicContact CG-CB 4.37Å; L876-L1134 HydrophobicContact CG-CD1 4.13Å; V877-L1134 CarbonylContact O-C 3.56Å; P878-L1134 HydrophobicContact CB-CD2 3.97Å; F879-L1134 WeakPolarHBondContact CE1-O 3.07Å; R915-L1134 HydrophobicContact CB-CD1 4.12Å; R915-L1134 HydrophobicContact CB-CD2 4.2Å; R915-L1134 HydrophobicContact CB-CG 4.02Å; F919-L1134 HydrophobicContact CB-CD1 4.08Å; S1129-L1134 CarbonylContact C-O 3.56Å; S1129-L1134 WeakPolarHBondContact CB-O 3.49Å; S1129-L1134 CarbonylContact O-C 3.53Å; S1129-L1134 PolarHBondContact O-N 3.13Å; S1129-L1134 PolarHBondContact OG-O 2.71Å; I1130-L1134 VanDerWaalsContact CA-O 3.25Å; I1130-L1134 WeakPolarHBondContact CA-O 3.42Å; I1130-L1134 PolarHBondContact N-O 2.87Å; V1132-L1134 HydrophobicContact CG2-CB 4.37Å; V1132-L1134 HydrophobicContact CG2-CD1 4.28Å; V1132-L1134 HydrophobicContact CG2-CG 4.33Å |
| 1135 | N | 93.3 | Very high | 89 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 113.6 | 179.5 | -172.2 | 18.5 | 0 | 0 | 0 | 109.5 | L876 V877 F879 W1126 S1129 V1137 S1208 V1239 | L876-N1135 WeakPolarHBondContact CA-O 3.27Å; V877-N1135 HydrophobicContact CG2-CB 4.02Å; V877-N1135 PolarHBondContact N-O 3.11Å; V877-N1135 PolarHBondContact O-N 2.95Å; F879-N1135 HydrophobicContact CD1-CB 4.07Å; W1126-N1135 PolarHBondContact NE1-OD1 2.85Å; S1129-N1135 WeakPolarHBondContact OG-CA 3.39Å; N1135-V1137 VanDerWaalsContact ND2-CG1 3.32Å; N1135-V1137 WeakPolarHBondContact ND2-CG1 3.49Å; N1135-V1137 WeakPolarHBondContact OD1-CG1 3.42Å; N1135-S1208 PolarHBondContact ND2-O 2.95Å; N1135-V1239 HydrophobicContact CB-CG1 3.99Å |
| 1136 | L | 95.2 | Very high | 88 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 99.2 | 175.5 | -179 | 75.7 | 0 | 0 | 0 | 109.7 | F874 M875 L876 F919 I1106 W1125 S1129 | F874-L1136 HydrophobicContact CB-CD1 3.72Å; F874-L1136 HydrophobicContact CB-CG 4.17Å; F874-L1136 HydrophobicContact CD1-CG 4.42Å; F874-L1136 HydrophobicContact CG-CD1 4.46Å; F874-L1136 HydrophobicContact CG-CG 4.49Å; M875-L1136 WeakPolarHBondContact O-CA 3.35Å; L876-L1136 HydrophobicContact CB-CD1 4.18Å; L876-L1136 HydrophobicContact CD1-CB 4Å; L876-L1136 HydrophobicContact CD1-CD1 4.22Å; F919-L1136 HydrophobicContact CE2-CD2 4.48Å; F919-L1136 HydrophobicContact CZ-CD1 4.17Å; F919-L1136 HydrophobicContact CZ-CD2 4.13Å; I1106-L1136 HydrophobicContact CD1-CD1 3.95Å; W1125-L1136 HydrophobicContact CB-CD2 3.67Å; W1125-L1136 HydrophobicContact CE3-CD2 4.28Å; S1129-L1136 PolarHBondContact OG-N 3.25Å |
| 1137 | V | 92.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 140.7 | -175.9 | -67.1 | 0 | 0 | 0 | 0 | 112.1 | F874 M875 N1135 V1139 I1205 | F874-V1137 CarbonylContact C-O 2.84Å; F874-V1137 VanDerWaalsContact CA-O 3.23Å; F874-V1137 WeakPolarHBondContact CA-O 3.25Å; M875-V1137 HydrophobicContact CB-CG2 4.34Å; M875-V1137 PolarHBondContact N-O 2.97Å; M875-V1137 PolarHBondContact O-N 3.09Å; N1135-V1137 VanDerWaalsContact ND2-CG1 3.32Å; N1135-V1137 WeakPolarHBondContact ND2-CG1 3.49Å; N1135-V1137 WeakPolarHBondContact OD1-CG1 3.42Å; V1137-V1139 HydrophobicContact CG2-CG2 4.36Å; V1137-I1205 HydrophobicContact CG2-CD1 3.7Å |
| 1138 | P | 93.2 | Very high | 85.1 | Confident | 6 Ų | 6 | 25.6 Ų | 25.6 | 4% | 0.039 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 143.6 | 170.6 | 31.5 | -36.2 | 0 | 0 | 0 | 109.8 | R873 F874 N1227 M1229 Y1234 | R873-P1138 WeakPolarHBondContact O-CA 3.32Å; F874-P1138 HydrophobicContact CD1-CB 3.88Å; F874-P1138 HydrophobicContact CE1-CB 3.73Å; P1138-N1227 PolarHBondContact O-ND2 3.24Å; P1138-N1227 PolarHBondContact O-OD1 2.96Å; P1138-M1229 HydrophobicContact CB-CB 3.77Å; P1138-M1229 HydrophobicContact CB-CE 4.48Å; P1138-M1229 HydrophobicContact CG-CB 3.72Å; P1138-M1229 WeakPolarHBondContact CG-O 3.42Å; P1138-Y1234 HydrophobicContact CG-CD2 3.8Å; P1138-Y1234 HydrophobicContact CG-CE2 3.85Å; P1138-Y1234 HydrophobicContact CG-CG 4.21Å |
| 1139 | V | 89.4 | Confident | 83.8 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | trans | -136 | 140.3 | 178.2 | -179.2 | 0 | 0 | 0 | 0 | 108.1 | R873 M875 V1137 P1143 I1205 L1212 | R873-V1139 PolarHBondContact O-N 3.35Å; M875-V1139 HydrophobicContact CB-CG2 3.95Å; M875-V1139 HydrophobicContact CG-CB 4.37Å; M875-V1139 HydrophobicContact CG-CG2 3.66Å; V1137-V1139 HydrophobicContact CG2-CG2 4.36Å; V1139-P1143 HydrophobicContact CG1-CB 4.36Å; V1139-I1205 HydrophobicContact CG2-CD1 3.78Å; V1139-L1212 HydrophobicContact CG1-CD1 4.01Å; V1139-L1212 HydrophobicContact CG1-CD2 4.4Å | ||
| 1140 | P | 85.9 | Confident | 82.3 | Confident | 8 Ų | 8 | 26 Ų | 26 | 5% | 0.052 | 15% | 0.15 | C | C | . | . | trans | -56.1 | 147.6 | 173.5 | -23.5 | 32.7 | 0 | 0 | 0 | 112.4 | N329 R873 D1142 N1227 P1228 M1229 | N329-P1140 WeakPolarHBondContact OD1-CA 3.47Å; R873-P1140 PolarHBondContact NH1-O 2.88Å; P1140-D1142 VanDerWaalsContact C-N 3.3Å; P1140-D1142 PolarHBondContact O-N 3.47Å; P1140-N1227 WeakPolarHBondContact CD-OD1 3.47Å; P1140-P1228 HydrophobicContact CG-CG 3.73Å; P1140-M1229 HydrophobicContact CG-CG 3.85Å | ||
| 1141 | I | 79.5 | Confident | 80.9 | Confident | 14 Ų | 14 | 28.5 Ų | 28.5 | 7% | 0.072 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -57.9 | -46.7 | 171.6 | -69.2 | 168 | 0 | 0 | 0 | 109.9 | L328 N329 E871 R873 P1143 E1197 | L328-I1141 HydrophobicContact CB-CD1 4Å; L328-I1141 HydrophobicContact CD2-CD1 3.67Å; L328-I1141 HydrophobicContact CG-CD1 4.31Å; N329-I1141 WeakPolarHBondContact OD1-CG1 3.34Å; N329-I1141 PolarHBondContact OD1-N 3.32Å; E871-I1141 HydrophobicContact CB-CD1 4.27Å; E871-I1141 HydrophobicContact CG-CD1 3.98Å; R873-I1141 HydrophobicContact CB-CG1 4.46Å; R873-I1141 PolarHBondContact NH1-O 3.19Å; I1141-P1143 WeakPolarHBondContact O-CD 3.39Å; I1141-E1197 WeakPolarHBondContact CG2-OE2 3.34Å |
| 1142 | D | 78.6 | Confident | 79.7 | Confident | 31 Ų | 31 | 24.8 Ų | 24.8 | 17% | 0.166 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -110 | 94.2 | 167.6 | -173.6 | 9.1 | 0 | 0 | 0 | 110.7 | P1140 F1144 S1152 H1198 | P1140-D1142 VanDerWaalsContact C-N 3.3Å; P1140-D1142 PolarHBondContact O-N 3.47Å; D1142-F1144 PolarHBondContact OD1-N 2.82Å; D1142-S1152 PolarHBondContact OD2-OG 3.09Å; D1142-H1198 IonicContact OD1-CE1 3.32Å; D1142-H1198 IonicContact OD1-NE2 3.39Å |
| 1143 | P | 79.9 | Confident | 78.7 | Confident | 4 Ų | 4 | 24.4 Ų | 24.4 | 3% | 0.026 | 14% | 0.136 | C | C | . | . | trans | -76.2 | -27.9 | -178.6 | 25.7 | -29.2 | 0 | 0 | 0 | 113.7 | V1139 I1141 M1193 L1212 T1225 | V1139-P1143 HydrophobicContact CG1-CB 4.36Å; I1141-P1143 WeakPolarHBondContact O-CD 3.39Å; P1143-M1193 HydrophobicContact CB-CE 4.48Å; P1143-M1193 HydrophobicContact CG-CE 3.91Å; P1143-L1212 HydrophobicContact CB-CD1 3.54Å; P1143-T1225 WeakPolarHBondContact O-CG2 3.26Å | ||
| 1144 | F | 79.2 | Confident | 77.8 | Confident | 1 Ų | 1 | 24 Ų | 24 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -112.7 | 75.2 | -175.6 | -59 | -80.2 | 0 | 0 | 0 | 110.2 | D1142 M1146 M1193 R1201 E1203 L1212 V1213 A1214 L1223 T1225 | D1142-F1144 PolarHBondContact OD1-N 2.82Å; F1144-M1146 PolarHBondContact O-N 2.68Å; F1144-M1193 HydrophobicContact CE2-CE 3.82Å; F1144-M1193 HydrophobicContact CZ-CE 4.41Å; F1144-R1201 PolarHBondContact O-NH1 2.97Å; F1144-E1203 HydrophobicContact CD2-CG 3.82Å; F1144-E1203 HydrophobicContact CE2-CB 3.85Å; F1144-E1203 HydrophobicContact CE2-CG 3.57Å; F1144-L1212 HydrophobicContact CE1-CB 4.16Å; F1144-L1212 HydrophobicContact CZ-CB 3.69Å; F1144-V1213 VanDerWaalsContact CE1-C 3.46Å; F1144-V1213 WeakPolarHBondContact CZ-O 3.35Å; F1144-A1214 HydrophobicContact CD1-CB 3.79Å; F1144-A1214 HydrophobicContact CD2-CB 3.85Å; F1144-A1214 HydrophobicContact CE1-CB 3.73Å; F1144-A1214 VanDerWaalsContact CE1-N 3.26Å; F1144-A1214 HydrophobicContact CE2-CB 3.82Å; F1144-A1214 HydrophobicContact CG-CB 3.86Å; F1144-A1214 HydrophobicContact CZ-CB 3.76Å; F1144-A1214 VanDerWaalsContact CZ-N 3.33Å; F1144-L1223 HydrophobicContact CD1-CB 4.48Å; F1144-L1223 WeakPolarHBondContact CE1-O 3.47Å; F1144-T1225 HydrophobicContact CD1-CG2 3.75Å; F1144-T1225 HydrophobicContact CE1-CG2 3.55Å; F1144-T1225 HydrophobicContact CZ-CG2 4.28Å |
| 1145 | V | 71.5 | Confident | 77.1 | Confident | 10 Ų | 10 | 24 Ų | 24 | 6% | 0.061 | 13% | 0.13 | C | C | . | . | trans | -59.6 | 116.6 | 173.8 | 173.8 | 0 | 0 | 0 | 0 | 108.9 | S1152 D1153 R1156 P1158 | V1145-S1152 VanDerWaalsContact CA-OG 3.27Å; V1145-S1152 WeakPolarHBondContact CA-OG 3.45Å; V1145-S1152 WeakPolarHBondContact CB-OG 3.31Å; V1145-S1152 WeakPolarHBondContact CG1-OG 3.08Å; V1145-S1152 WeakPolarHBondContact CG2-OG 3.27Å; V1145-D1153 WeakPolarHBondContact CG1-O 3.46Å; V1145-D1153 HydrophobicContact CG2-CB 4.17Å; V1145-R1156 HydrophobicContact CB-CB 3.84Å; V1145-R1156 HydrophobicContact CG1-CB 4.08Å; V1145-R1156 WeakPolarHBondContact CG1-O 3.42Å; V1145-R1156 HydrophobicContact CG2-CB 4.05Å; V1145-P1158 WeakPolarHBondContact O-CD 2.86Å | ||
| 1146 | M | 72.5 | Confident | 76.3 | Confident | 32 Ų | 32 | 25.8 Ų | 25.8 | 16% | 0.158 | 14% | 0.136 | C | C | . | . | trans | -97.2 | 142.1 | 178.3 | -63.8 | -58.6 | -60.6 | 0 | 0 | 110.1 | F1144 E1148 N1149 P1158 R1201 L1223 | F1144-M1146 PolarHBondContact O-N 2.68Å; M1146-E1148 WeakPolarHBondContact CB-OE2 3.48Å; M1146-E1148 PolarHBondContact O-N 3.18Å; M1146-N1149 PolarHBondContact O-N 2.74Å; M1146-P1158 HydrophobicContact SD-CG 4.35Å; M1146-R1201 VanDerWaalsContact CG-NH1 3.28Å; M1146-L1223 HydrophobicContact CE-CD1 4.2Å; M1146-L1223 HydrophobicContact SD-CD1 3.89Å | ||
| 1147 | P | 65.4 | Low | 75.3 | Confident | 26 Ų | 26 | 26.9 Ų | 26.9 | 17% | 0.169 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -24.6 | -179.9 | -23.4 | 31.5 | 0 | 0 | 0 | 114.3 | A830 H832 | A830-P1147 WeakPolarHBondContact O-CB 3.31Å; H832-P1147 PolarHBondContact N-O 2.9Å |
| 1148 | E | 63 | Low | 74.9 | Confident | 131 Ų | 131 | 27.7 Ų | 27.7 | 61% | 0.612 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -13.2 | -178.2 | -45.3 | 80.3 | -161.3 | 0 | 0 | 113.4 | M1146 P1150 | M1146-E1148 WeakPolarHBondContact CB-OE2 3.48Å; M1146-E1148 PolarHBondContact O-N 3.18Å; E1148-P1150 VanDerWaalsContact O-CD 3.3Å; E1148-P1150 WeakPolarHBondContact O-CD 3.37Å |
| 1149 | N | 67.5 | Low | 74.5 | Confident | 58 Ų | 58 | 28.9 Ų | 28.9 | 31% | 0.31 | 15% | 0.153 | S | C | . | . | trans | -87.6 | 109.2 | 179.9 | -177.1 | 10 | 0 | 0 | 0 | 109.8 | M1146 D1151 S1152 | M1146-N1149 PolarHBondContact O-N 2.74Å; N1149-D1151 PolarHBondContact O-N 3.39Å; N1149-D1151 PolarHBondContact OD1-N 3.1Å; N1149-S1152 PolarHBondContact ND2-OG 2.89Å; N1149-S1152 WeakPolarHBondContact O-CB 3.49Å; N1149-S1152 PolarHBondContact O-N 3.13Å | ||
| 1150 | P | 62.6 | Low | 74.5 | Confident | 45 Ų | 45 | 33.3 Ų | 33.3 | 29% | 0.292 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -21 | -176.9 | 28.9 | -35.8 | 0 | 0 | 0 | 113.4 | T833 V834 E1148 S1152 | T833-P1150 PolarHBondContact OG1-O 2.87Å; V834-P1150 HydrophobicContact CB-CB 4.26Å; V834-P1150 HydrophobicContact CG2-CB 3.66Å; V834-P1150 HydrophobicContact CG2-CG 4.42Å; E1148-P1150 VanDerWaalsContact O-CD 3.3Å; E1148-P1150 WeakPolarHBondContact O-CD 3.37Å; P1150-S1152 PolarHBondContact O-N 2.79Å |
| 1151 | D | 62.7 | Low | 74.8 | Confident | 97 Ų | 97 | 33 Ų | 33 | 52% | 0.519 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -4.9 | -178.5 | -83.8 | -51 | 0 | 0 | 0 | 114.6 | K325 N1149 | K325-D1151 PolarHBondContact NZ-O 3.26Å; K325-D1151 IonicContact NZ-OD1 2.7Å; K325-D1151 PolarHBondContact NZ-OD1 3.23Å; N1149-D1151 PolarHBondContact O-N 3.39Å; N1149-D1151 PolarHBondContact OD1-N 3.1Å |
| 1152 | S | 66 | Low | 75.4 | Confident | 10 Ų | 10 | 35.3 Ų | 35.3 | 7% | 0.07 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -93.7 | 156 | -165.8 | -126.3 | 0 | 0 | 0 | 0 | 110.2 | D1142 V1145 N1149 P1150 P1154 | D1142-S1152 PolarHBondContact OD2-OG 3.09Å; V1145-S1152 VanDerWaalsContact CA-OG 3.27Å; V1145-S1152 WeakPolarHBondContact CA-OG 3.45Å; V1145-S1152 WeakPolarHBondContact CB-OG 3.31Å; V1145-S1152 WeakPolarHBondContact CG1-OG 3.08Å; V1145-S1152 WeakPolarHBondContact CG2-OG 3.27Å; N1149-S1152 PolarHBondContact ND2-OG 2.89Å; N1149-S1152 WeakPolarHBondContact O-CB 3.49Å; N1149-S1152 PolarHBondContact O-N 3.13Å; P1150-S1152 PolarHBondContact O-N 2.79Å; S1152-P1154 VanDerWaalsContact O-CD 3.23Å; S1152-P1154 WeakPolarHBondContact O-CD 3.44Å |
| 1153 | D | 71.6 | Confident | 76.1 | Confident | 18 Ų | 18 | 34.2 Ų | 34.2 | 10% | 0.096 | 18% | 0.181 | C | C | . | . | trans | -57.9 | 111.5 | 177.7 | 177.1 | -8.9 | 0 | 0 | 0 | 110.1 | H265 F322 V1145 F1155 R1156 | H265-D1153 IonicContact CE1-OD2 3.19Å; H265-D1153 IonicContact NE2-OD2 3.97Å; H265-D1153 PolarHBondContact NE2-OD2 3.06Å; F322-D1153 HydrophobicContact CD2-CB 4.48Å; V1145-D1153 WeakPolarHBondContact CG1-O 3.46Å; V1145-D1153 HydrophobicContact CG2-CB 4.17Å; D1153-F1155 PolarHBondContact O-N 2.87Å; D1153-F1155 VanDerWaalsContact O-N 3.1Å; D1153-F1155 PolarHBondContact OD1-N 2.91Å; D1153-F1155 VanDerWaalsContact OD1-N 3.12Å; D1153-R1156 HydrophobicContact CB-CB 4.31Å; D1153-R1156 HydrophobicContact CB-CG 4.05Å; D1153-R1156 PolarHBondContact O-N 2.82Å; D1153-R1156 VanDerWaalsContact OD2-CD 3.29Å; D1153-R1156 WeakPolarHBondContact OD2-CD 3.46Å; D1153-R1156 WeakPolarHBondContact OD2-CG 3.32Å; D1153-R1156 IonicContact OD2-CZ 3.91Å; D1153-R1156 IonicContact OD2-NE 2.69Å; D1153-R1156 PolarHBondContact OD2-NE 3.34Å; D1153-R1156 IonicContact OD2-NH2 3.67Å | ||
| 1154 | P | 71.9 | Confident | 76.7 | Confident | 9 Ų | 9 | 37.3 Ų | 37.3 | 6% | 0.058 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -19 | -169 | 25.9 | -35.7 | 0 | 0 | 0 | 113.7 | I318 Y818 L820 S1152 | I318-P1154 HydrophobicContact CB-CG 4.38Å; I318-P1154 HydrophobicContact CG2-CB 3.54Å; I318-P1154 HydrophobicContact CG2-CG 3.14Å; Y818-P1154 WeakPolarHBondContact OH-CA 3.19Å; Y818-P1154 WeakPolarHBondContact OH-CB 3.46Å; Y818-P1154 PolarHBondContact OH-O 3.2Å; L820-P1154 VanDerWaalsContact CD2-O 3.31Å; L820-P1154 WeakPolarHBondContact CD2-O 3.28Å; S1152-P1154 VanDerWaalsContact O-CD 3.23Å; S1152-P1154 WeakPolarHBondContact O-CD 3.44Å |
| 1155 | F | 78.3 | Confident | 77 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 1% | 0.013 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 5.3 | 177.7 | -70.1 | -57.1 | 0 | 0 | 0 | 113.5 | Y177 M179 V224 Y260 L262 I318 L820 D1153 | Y177-F1155 HydrophobicContact CD1-CD2 4.4Å; Y177-F1155 HydrophobicContact CD1-CE2 4.19Å; Y177-F1155 AromaticContact CE1-CD2 3.66Å; Y177-F1155 HydrophobicContact CE1-CD2 3.66Å; Y177-F1155 AromaticContact CE1-CE2 3.88Å; Y177-F1155 HydrophobicContact CE1-CE2 3.88Å; M179-F1155 HydrophobicContact CE-CE1 4.48Å; M179-F1155 HydrophobicContact CE-CE2 4.23Å; M179-F1155 HydrophobicContact CE-CZ 3.61Å; V224-F1155 HydrophobicContact CG1-CD1 4.48Å; V224-F1155 HydrophobicContact CG1-CE1 3.8Å; V224-F1155 HydrophobicContact CG1-CZ 4.19Å; V224-F1155 HydrophobicContact CG2-CD1 4.46Å; V224-F1155 HydrophobicContact CG2-CE1 4.16Å; V224-F1155 HydrophobicContact CG2-CE2 4.38Å; V224-F1155 HydrophobicContact CG2-CZ 4.11Å; Y260-F1155 HydrophobicContact CD1-CE1 4.03Å; Y260-F1155 HydrophobicContact CD1-CZ 4.39Å; Y260-F1155 HydrophobicContact CG-CE1 4.4Å; L262-F1155 HydrophobicContact CD2-CB 3.91Å; L262-F1155 WeakPolarHBondContact CD2-O 3.47Å; I318-F1155 HydrophobicContact CB-CE2 4.02Å; I318-F1155 HydrophobicContact CB-CZ 3.99Å; I318-F1155 HydrophobicContact CD1-CE1 4.37Å; I318-F1155 HydrophobicContact CD1-CZ 4.03Å; I318-F1155 HydrophobicContact CG2-CD2 3.79Å; I318-F1155 HydrophobicContact CG2-CE1 4.06Å; I318-F1155 HydrophobicContact CG2-CE2 3.21Å; I318-F1155 HydrophobicContact CG2-CG 4.45Å; I318-F1155 HydrophobicContact CG2-CZ 3.36Å; L820-F1155 HydrophobicContact CD1-CD1 4.06Å; L820-F1155 HydrophobicContact CD2-CD1 4.41Å; D1153-F1155 PolarHBondContact O-N 2.87Å; D1153-F1155 VanDerWaalsContact O-N 3.1Å; D1153-F1155 PolarHBondContact OD1-N 2.91Å; D1153-F1155 VanDerWaalsContact OD1-N 3.12Å |
| 1156 | R | 75.4 | Confident | 77.7 | Confident | 38 Ų | 38 | 50.6 Ų | 50.6 | 14% | 0.143 | 26% | 0.255 | C | S | . | . | trans | -102.1 | 126.2 | 174.4 | -72.5 | 180 | -170.5 | -83.2 | -16.4 | 110.9 | H265 V1145 D1153 P1228 | H265-R1156 PolarHBondContact NE2-NH2 3.41Å; V1145-R1156 HydrophobicContact CB-CB 3.84Å; V1145-R1156 HydrophobicContact CG1-CB 4.08Å; V1145-R1156 WeakPolarHBondContact CG1-O 3.42Å; V1145-R1156 HydrophobicContact CG2-CB 4.05Å; D1153-R1156 HydrophobicContact CB-CB 4.31Å; D1153-R1156 HydrophobicContact CB-CG 4.05Å; D1153-R1156 PolarHBondContact O-N 2.82Å; D1153-R1156 VanDerWaalsContact OD2-CD 3.29Å; D1153-R1156 WeakPolarHBondContact OD2-CD 3.46Å; D1153-R1156 WeakPolarHBondContact OD2-CG 3.32Å; D1153-R1156 IonicContact OD2-CZ 3.91Å; D1153-R1156 IonicContact OD2-NE 2.69Å; D1153-R1156 PolarHBondContact OD2-NE 3.34Å; D1153-R1156 IonicContact OD2-NH2 3.67Å; R1156-P1228 VanDerWaalsContact NH2-CG 3.3Å | ||
| 1157 | N | 75.9 | Confident | 78.4 | Confident | 23 Ų | 23 | 49.5 Ų | 49.5 | 12% | 0.123 | 25% | 0.25 | C | S | . | . | trans | -130.2 | 133.3 | 165.4 | -78.2 | -30 | 0 | 0 | 0 | 109.1 | L820 C831 | L820-N1157 WeakPolarHBondContact CD2-ND2 3.03Å; C831-N1157 PolarHBondContact SG-ND2 3.04Å; C831-N1157 VanDerWaalsContact SG-ND2 3.38Å | ||
| 1158 | P | 82.5 | Confident | 79.3 | Confident | 17 Ų | 17 | 48.3 Ų | 48.3 | 11% | 0.11 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -68.2 | 145.2 | 172 | 27.6 | -33.5 | 0 | 0 | 0 | 110.5 | V1145 M1146 L1223 W1224 | V1145-P1158 WeakPolarHBondContact O-CD 2.86Å; M1146-P1158 HydrophobicContact SD-CG 4.35Å; P1158-L1223 HydrophobicContact CB-CB 3.88Å; P1158-L1223 HydrophobicContact CB-CD2 4.31Å; P1158-L1223 HydrophobicContact CG-CB 4.3Å; P1158-L1223 HydrophobicContact CG-CD2 4.07Å; P1158-W1224 CarbonylContact C-O 3.53Å; P1158-W1224 WeakPolarHBondContact CA-O 3.44Å; P1158-W1224 WeakPolarHBondContact CB-O 3.41Å |
| 1159 | I | 85.8 | Confident | 80.3 | Confident | 30 Ų | 30 | 46 Ų | 46 | 15% | 0.154 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 120.1 | 172.3 | -58.1 | 171.8 | 0 | 0 | 0 | 107.6 | D824 V825 W1224 L1250 | D824-I1159 HydrophobicContact CB-CD1 4.43Å; V825-I1159 HydrophobicContact CG2-CG1 4.2Å; I1159-W1224 HydrophobicContact CB-CB 4.26Å; I1159-W1224 PolarHBondContact N-O 2.93Å; I1159-W1224 PolarHBondContact O-N 2.64Å; I1159-L1250 HydrophobicContact CD1-CD2 3.89Å |
| 1160 | F | 89 | Confident | 81 | Confident | 95 Ų | 95 | 46.4 Ų | 46.4 | 42% | 0.417 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 123.8 | 175.2 | -176.7 | -116.7 | 0 | 0 | 0 | 110.8 | P1162 Q1220 Y1222 L1223 | F1160-P1162 HydrophobicContact CD1-CB 4.35Å; F1160-P1162 HydrophobicContact CE1-CB 3.75Å; F1160-P1162 HydrophobicContact CZ-CB 4.34Å; F1160-P1162 WeakPolarHBondContact O-CD 3.26Å; F1160-Q1220 HydrophobicContact CZ-CB 4.38Å; F1160-Y1222 CarbonylContact C-O 3.51Å; F1160-Y1222 WeakPolarHBondContact CA-O 3.41Å; F1160-Y1222 WeakPolarHBondContact CD2-O 3.45Å; F1160-L1223 HydrophobicContact CD2-CD2 3.99Å |
| 1161 | I | 92.3 | Very high | 81.9 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 100.6 | 175 | -52.9 | 173.5 | 0 | 0 | 0 | 107.6 | G1221 Y1222 W1224 L1250 L1253 N1254 C1257 | I1161-G1221 VanDerWaalsContact O-CA 3.3Å; I1161-G1221 WeakPolarHBondContact O-CA 3.19Å; I1161-Y1222 PolarHBondContact N-O 2.83Å; I1161-Y1222 PolarHBondContact O-N 3.31Å; I1161-W1224 HydrophobicContact CD1-CB 3.9Å; I1161-W1224 HydrophobicContact CD1-CD2 4.35Å; I1161-W1224 HydrophobicContact CD1-CE3 3.93Å; I1161-W1224 HydrophobicContact CD1-CG 4.38Å; I1161-W1224 HydrophobicContact CG1-CB 4.39Å; I1161-L1250 HydrophobicContact CD1-CD1 3.56Å; I1161-L1250 HydrophobicContact CG1-CD1 4.27Å; I1161-L1253 HydrophobicContact CD1-CD2 3.79Å; I1161-L1253 HydrophobicContact CD1-CG 4.27Å; I1161-N1254 HydrophobicContact CG2-CB 4.28Å; I1161-C1257 HydrophobicContact CG2-CB 4.07Å |
| 1162 | P | 92.6 | Very high | 82.5 | Confident | 64 Ų | 64 | 44.1 Ų | 44.1 | 42% | 0.416 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 146.3 | 179.8 | 29.3 | -33.6 | 0 | 0 | 0 | 111.1 | F1160 C1257 | F1160-P1162 HydrophobicContact CD1-CB 4.35Å; F1160-P1162 HydrophobicContact CE1-CB 3.75Å; F1160-P1162 HydrophobicContact CZ-CB 4.34Å; F1160-P1162 WeakPolarHBondContact O-CD 3.26Å; P1162-C1257 WeakPolarHBondContact O-CB 3.39Å |
| 1163 | I | 93 | Very high | 83.2 | Confident | 8 Ų | 8 | 45.9 Ų | 45.9 | 4% | 0.041 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -92.8 | 139.1 | 164.3 | -64.6 | -163.7 | 0 | 0 | 0 | 109.3 | E1165 L1168 L1181 I1184 Q1220 Y1222 C1257 L1264 | I1163-E1165 PolarHBondContact O-N 3.21Å; I1163-E1165 VanDerWaalsContact O-N 3.14Å; I1163-L1168 HydrophobicContact CB-CD1 4.01Å; I1163-L1168 HydrophobicContact CB-CD2 4.27Å; I1163-L1168 HydrophobicContact CB-CG 4.11Å; I1163-L1168 HydrophobicContact CG2-CD1 4.2Å; I1163-L1168 HydrophobicContact CG2-CD2 3.88Å; I1163-L1168 HydrophobicContact CG2-CG 3.74Å; I1163-L1181 HydrophobicContact CD1-CD2 3.26Å; I1163-L1181 HydrophobicContact CD1-CG 4.28Å; I1163-L1181 HydrophobicContact CG1-CD2 4.2Å; I1163-I1184 HydrophobicContact CD1-CD1 3.93Å; I1163-Q1220 PolarHBondContact N-O 3.38Å; I1163-Y1222 HydrophobicContact CD1-CE2 4.08Å; I1163-Y1222 HydrophobicContact CG1-CE2 4.4Å; I1163-C1257 HydrophobicContact CG1-CB 4.16Å; I1163-L1264 HydrophobicContact CG2-CD2 3.72Å |
| 1164 | K | 91.2 | Very high | 83.6 | Confident | 69 Ų | 69 | 49.5 Ų | 49.5 | 30% | 0.3 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -50.9 | 119.3 | 177.6 | -166.4 | 169.5 | -170.2 | 166.6 | 0 | 112.2 | E1166 V1167 L1168 C1257 D1259 | K1164-E1166 VanDerWaalsContact C-N 3.27Å; K1164-E1166 WeakPolarHBondContact CE-OE2 3.12Å; K1164-E1166 HydrophobicContact CG-CB 4.46Å; K1164-E1166 PolarHBondContact O-N 3.5Å; K1164-V1167 HydrophobicContact CB-CG2 4.46Å; K1164-V1167 PolarHBondContact O-N 3.21Å; K1164-L1168 PolarHBondContact O-N 2.85Å; K1164-C1257 PolarHBondContact N-O 3.02Å; K1164-D1259 HydrophobicContact CD-CB 3.66Å |
| 1165 | E | 87.1 | Confident | 83.9 | Confident | 152 Ų | 152 | 53.4 Ų | 53.4 | 71% | 0.71 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -57.8 | -38.1 | -172.5 | -172.1 | 177.9 | -179.6 | 0 | 0 | 112.6 | I1163 V1167 L1168 S1169 | I1163-E1165 PolarHBondContact O-N 3.21Å; I1163-E1165 VanDerWaalsContact O-N 3.14Å; E1165-V1167 VanDerWaalsContact C-N 3.26Å; E1165-V1167 PolarHBondContact O-N 3.37Å; E1165-L1168 CarbonylContact O-C 3.55Å; E1165-L1168 PolarHBondContact O-N 3.46Å; E1165-L1168 VanDerWaalsContact O-N 3.11Å; E1165-S1169 WeakPolarHBondContact O-CB 3.05Å; E1165-S1169 PolarHBondContact O-N 3.08Å |
| 1166 | E | 86.5 | Confident | 84.1 | Confident | 138 Ų | 138 | 57.2 Ų | 57.2 | 65% | 0.645 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -54.5 | -41.7 | 176.3 | -64.4 | 174.5 | 174 | 0 | 0 | 112 | K1164 S1169 S1170 | K1164-E1166 VanDerWaalsContact C-N 3.27Å; K1164-E1166 WeakPolarHBondContact CE-OE2 3.12Å; K1164-E1166 HydrophobicContact CG-CB 4.46Å; K1164-E1166 PolarHBondContact O-N 3.5Å; E1166-S1169 PolarHBondContact O-OG 3.09Å; E1166-S1170 PolarHBondContact O-N 3.48Å |
| 1167 | V | 85.7 | Confident | 84.7 | Confident | 9 Ų | 9 | 57.8 Ų | 57.8 | 6% | 0.055 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -72.6 | -42.1 | 178.4 | -179.2 | 0 | 0 | 0 | 0 | 110.6 | K1164 E1165 S1169 S1170 L1180 L1264 V1268 | K1164-V1167 HydrophobicContact CB-CG2 4.46Å; K1164-V1167 PolarHBondContact O-N 3.21Å; E1165-V1167 VanDerWaalsContact C-N 3.26Å; E1165-V1167 PolarHBondContact O-N 3.37Å; V1167-S1169 VanDerWaalsContact C-N 3.29Å; V1167-S1169 PolarHBondContact O-N 3.37Å; V1167-S1170 WeakPolarHBondContact O-CB 3.2Å; V1167-S1170 PolarHBondContact O-N 3.23Å; V1167-S1170 PolarHBondContact O-OG 2.95Å; V1167-L1180 HydrophobicContact CG1-CD2 4.41Å; V1167-L1264 HydrophobicContact CB-CD2 3.95Å; V1167-L1264 HydrophobicContact CB-CG 4.43Å; V1167-L1264 HydrophobicContact CG1-CD2 3.94Å; V1167-L1264 HydrophobicContact CG1-CG 3.97Å; V1167-L1264 HydrophobicContact CG2-CD2 3.83Å; V1167-L1264 HydrophobicContact CG2-CG 4.18Å; V1167-V1268 HydrophobicContact CG1-CG2 3.81Å |
| 1168 | L | 84.8 | Confident | 85.1 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.2 | -32.9 | 177 | -68.8 | -179.8 | 0 | 0 | 0 | 112.8 | I1163 K1164 E1165 S1170 L1171 R1177 Q1220 | I1163-L1168 HydrophobicContact CB-CD1 4.01Å; I1163-L1168 HydrophobicContact CB-CD2 4.27Å; I1163-L1168 HydrophobicContact CB-CG 4.11Å; I1163-L1168 HydrophobicContact CG2-CD1 4.2Å; I1163-L1168 HydrophobicContact CG2-CD2 3.88Å; I1163-L1168 HydrophobicContact CG2-CG 3.74Å; K1164-L1168 PolarHBondContact O-N 2.85Å; E1165-L1168 CarbonylContact O-C 3.55Å; E1165-L1168 PolarHBondContact O-N 3.46Å; E1165-L1168 VanDerWaalsContact O-N 3.11Å; L1168-S1170 PolarHBondContact O-N 3Å; L1168-L1171 CarbonylContact O-C 3.57Å; L1168-L1171 PolarHBondContact O-N 3.2Å; L1168-L1171 VanDerWaalsContact O-O 3.11Å; L1168-R1177 HydrophobicContact CD2-CB 4.48Å; L1168-R1177 HydrophobicContact CD2-CG 4.17Å; L1168-R1177 PolarHBondContact O-NE 2.73Å; L1168-R1177 PolarHBondContact O-NH2 3.46Å; L1168-Q1220 HydrophobicContact CD1-CB 4.46Å; L1168-Q1220 VanDerWaalsContact CD1-OE1 3.22Å |
| 1169 | S | 83.9 | Confident | 85.3 | Confident | 83 Ų | 83 | 58.2 Ų | 58.2 | 58% | 0.58 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.5 | -32.4 | 176.8 | 80.9 | 0 | 0 | 0 | 0 | 111.7 | E1165 E1166 V1167 L1171 | E1165-S1169 WeakPolarHBondContact O-CB 3.05Å; E1165-S1169 PolarHBondContact O-N 3.08Å; E1166-S1169 PolarHBondContact O-OG 3.09Å; V1167-S1169 VanDerWaalsContact C-N 3.29Å; V1167-S1169 PolarHBondContact O-N 3.37Å; S1169-L1171 PolarHBondContact O-N 3.47Å |
| 1170 | S | 81.6 | Confident | 85.4 | Confident | 66 Ų | 66 | 56.8 Ų | 56.8 | 46% | 0.462 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -18.4 | 174.5 | 82.1 | 0 | 0 | 0 | 0 | 113.3 | E1166 V1167 L1168 | E1166-S1170 PolarHBondContact O-N 3.48Å; V1167-S1170 WeakPolarHBondContact O-CB 3.2Å; V1167-S1170 PolarHBondContact O-N 3.23Å; V1167-S1170 PolarHBondContact O-OG 2.95Å; L1168-S1170 PolarHBondContact O-N 3Å |
| 1171 | L | 81.4 | Confident | 85.5 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -104.1 | 89 | 178.6 | -60.4 | 179.5 | 0 | 0 | 0 | 110 | L1168 S1169 S1173 R1176 R1177 L1180 L1277 | L1168-L1171 CarbonylContact O-C 3.57Å; L1168-L1171 PolarHBondContact O-N 3.2Å; L1168-L1171 VanDerWaalsContact O-O 3.11Å; S1169-L1171 PolarHBondContact O-N 3.47Å; L1171-S1173 VanDerWaalsContact C-N 3.28Å; L1171-S1173 PolarHBondContact O-N 2.83Å; L1171-R1176 HydrophobicContact CB-CB 4.23Å; L1171-R1176 HydrophobicContact CD2-CB 4.23Å; L1171-R1177 HydrophobicContact CB-CG 3.86Å; L1171-R1177 HydrophobicContact CD1-CG 4.44Å; L1171-R1177 PolarHBondContact O-NE 2.89Å; L1171-L1180 HydrophobicContact CD1-CB 3.91Å; L1171-L1180 HydrophobicContact CD1-CD2 3.46Å; L1171-L1180 VanDerWaalsContact CD1-CD2 3.46Å; L1171-L1180 HydrophobicContact CD1-CG 4.29Å; L1171-L1277 HydrophobicContact CD2-CD1 3.89Å; L1171-L1277 HydrophobicContact CD2-CD2 4.08Å; L1171-L1277 HydrophobicContact CD2-CG 4.33Å | ||
| 1172 | S | 75.2 | Confident | 85.3 | Confident | 94 Ų | 94 | 53.4 Ų | 53.4 | 66% | 0.657 | 29% | 0.287 | S | S | * | . | trans | -63.6 | -23.5 | -173.6 | 58.9 | 0 | 0 | 0 | 0 | 115.9 | R1176 | S1172-R1176 PolarHBondContact OG-NH1 3.34Š| ||
| 1173 | S | 80.9 | Confident | 85 | Confident | 47 Ų | 47 | 52.6 Ų | 52.6 | 33% | 0.329 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -106.2 | 134.1 | -178.3 | 171.3 | 0 | 0 | 0 | 0 | 111 | L1171 Q1175 R1176 R1177 | L1171-S1173 VanDerWaalsContact C-N 3.28Å; L1171-S1173 PolarHBondContact O-N 2.83Å; S1173-Q1175 PolarHBondContact O-N 2.79Å; S1173-Q1175 VanDerWaalsContact O-N 3.07Å; S1173-Q1175 WeakPolarHBondContact OG-CB 3.17Å; S1173-Q1175 PolarHBondContact OG-N 3.12Å; S1173-R1176 WeakPolarHBondContact O-CB 3.35Å; S1173-R1176 PolarHBondContact O-N 3.05Å; S1173-R1177 PolarHBondContact O-N 3.11Å; S1173-R1177 VanDerWaalsContact O-N 3.13Å |
| 1174 | N | 80.7 | Confident | 85 | Confident | 93 Ų | 93 | 52.2 Ų | 52.2 | 50% | 0.497 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -50.4 | -33 | 170.9 | -77.8 | -17 | 0 | 0 | 0 | 112.1 | R1177 L1178 | N1174-R1177 PolarHBondContact O-N 3.25Å; N1174-L1178 WeakPolarHBondContact O-CB 3.33Å; N1174-L1178 PolarHBondContact O-N 3Å |
| 1175 | Q | 77.4 | Confident | 85.1 | Confident | 91 Ų | 91 | 49 Ų | 49 | 43% | 0.425 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.7 | -40.1 | 177.1 | -174.5 | 174.6 | 6.6 | 0 | 0 | 113.1 | S1173 R1177 L1178 C1179 | S1173-Q1175 PolarHBondContact O-N 2.79Å; S1173-Q1175 VanDerWaalsContact O-N 3.07Å; S1173-Q1175 WeakPolarHBondContact OG-CB 3.17Å; S1173-Q1175 PolarHBondContact OG-N 3.12Å; Q1175-R1177 VanDerWaalsContact C-N 3.34Å; Q1175-L1178 PolarHBondContact O-N 3.47Å; Q1175-C1179 PolarHBondContact O-N 2.85Å |
| 1176 | R | 84.2 | Confident | 85.1 | Confident | 84 Ų | 84 | 44.6 Ų | 44.6 | 32% | 0.317 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.6 | -39.1 | 176.6 | -69.9 | -179.4 | 171.8 | 148.5 | -3.6 | 110.8 | L1171 S1172 S1173 C1179 L1180 L1275 G1276 | L1171-R1176 HydrophobicContact CB-CB 4.23Å; L1171-R1176 HydrophobicContact CD2-CB 4.23Å; S1172-R1176 PolarHBondContact OG-NH1 3.34Å; S1173-R1176 WeakPolarHBondContact O-CB 3.35Å; S1173-R1176 PolarHBondContact O-N 3.05Å; R1176-C1179 PolarHBondContact O-N 3.42Å; R1176-L1180 PolarHBondContact O-N 3.02Å; R1176-L1275 WeakPolarHBondContact CD-O 3.37Å; R1176-L1275 WeakPolarHBondContact CG-O 3.17Å; R1176-L1275 PolarHBondContact NE-O 2.87Å; R1176-G1276 PolarHBondContact NH2-O 3.26Å |
| 1177 | R | 87.3 | Confident | 85.3 | Confident | 49 Ų | 49 | 40 Ų | 40 | 19% | 0.185 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.6 | -48.5 | 173.5 | -63.6 | 177.6 | -177.4 | 177 | -8.5 | 110.7 | L1168 L1171 S1173 N1174 Q1175 C1179 L1180 L1181 N1219 | L1168-R1177 HydrophobicContact CD2-CB 4.48Å; L1168-R1177 HydrophobicContact CD2-CG 4.17Å; L1168-R1177 PolarHBondContact O-NE 2.73Å; L1168-R1177 PolarHBondContact O-NH2 3.46Å; L1171-R1177 HydrophobicContact CB-CG 3.86Å; L1171-R1177 HydrophobicContact CD1-CG 4.44Å; L1171-R1177 PolarHBondContact O-NE 2.89Å; S1173-R1177 PolarHBondContact O-N 3.11Å; S1173-R1177 VanDerWaalsContact O-N 3.13Å; N1174-R1177 PolarHBondContact O-N 3.25Å; Q1175-R1177 VanDerWaalsContact C-N 3.34Å; R1177-C1179 PolarHBondContact O-N 3Å; R1177-L1180 WeakPolarHBondContact O-CB 3.19Å; R1177-L1180 PolarHBondContact O-N 3.01Å; R1177-L1181 VanDerWaalsContact O-CG 3.23Å; R1177-L1181 WeakPolarHBondContact O-CG 3.36Å; R1177-L1181 PolarHBondContact O-N 3.2Å; R1177-N1219 HydrophobicContact CB-CB 4.36Å |
| 1178 | L | 84.7 | Confident | 85.6 | Confident | 15 Ų | 15 | 39.5 Ų | 39.5 | 8% | 0.079 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.9 | -44.9 | 176.3 | -169.1 | 64.6 | 0 | 0 | 0 | 112.3 | A1059 N1174 Q1175 L1180 L1181 Y1182 V1215 | A1059-L1178 HydrophobicContact CB-CD2 3.9Å; N1174-L1178 WeakPolarHBondContact O-CB 3.33Å; N1174-L1178 PolarHBondContact O-N 3Å; Q1175-L1178 PolarHBondContact O-N 3.47Å; L1178-L1180 VanDerWaalsContact C-N 3.35Å; L1178-L1180 PolarHBondContact O-N 3.49Å; L1178-L1181 WeakPolarHBondContact O-CB 3.32Å; L1178-L1181 PolarHBondContact O-N 2.86Å; L1178-Y1182 HydrophobicContact CD1-CD2 4.04Å; L1178-Y1182 HydrophobicContact CD1-CE2 3.67Å; L1178-Y1182 HydrophobicContact CD2-CE2 4.48Å; L1178-Y1182 HydrophobicContact CG-CD2 4.06Å; L1178-Y1182 HydrophobicContact CG-CE2 3.86Å; L1178-Y1182 VanDerWaalsContact O-CD2 3.25Å; L1178-Y1182 WeakPolarHBondContact O-CD2 3.38Å; L1178-Y1182 PolarHBondContact O-N 2.91Å; L1178-V1215 HydrophobicContact CD1-CG1 4.05Å; L1178-V1215 HydrophobicContact CD1-CG2 4.41Å |
| 1179 | C | 85.4 | Confident | 86 | Confident | 35 Ų | 35 | 39.6 Ų | 39.6 | 24% | 0.236 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.6 | -42.8 | 176.8 | -173.5 | 0 | 0 | 0 | 0 | 112.4 | Q1175 R1176 R1177 Y1182 R1183 L1275 | Q1175-C1179 PolarHBondContact O-N 2.85Å; R1176-C1179 PolarHBondContact O-N 3.42Å; R1177-C1179 PolarHBondContact O-N 3Å; C1179-Y1182 PolarHBondContact O-N 3.27Å; C1179-R1183 WeakPolarHBondContact O-CG 3.17Å; C1179-R1183 PolarHBondContact O-N 2.76Å; C1179-R1183 VanDerWaalsContact O-N 3.16Å; C1179-L1275 HydrophobicContact CB-CD2 4.17Å |
| 1180 | L | 89.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.9 | -49.1 | 173.2 | 174.8 | 63.4 | 0 | 0 | 0 | 110.8 | V1167 L1171 R1176 R1177 L1178 Y1182 R1183 I1184 L1264 F1267 V1268 L1275 | V1167-L1180 HydrophobicContact CG1-CD2 4.41Å; L1171-L1180 HydrophobicContact CD1-CB 3.91Å; L1171-L1180 HydrophobicContact CD1-CD2 3.46Å; L1171-L1180 VanDerWaalsContact CD1-CD2 3.46Å; L1171-L1180 HydrophobicContact CD1-CG 4.29Å; R1176-L1180 PolarHBondContact O-N 3.02Å; R1177-L1180 WeakPolarHBondContact O-CB 3.19Å; R1177-L1180 PolarHBondContact O-N 3.01Å; L1178-L1180 VanDerWaalsContact C-N 3.35Å; L1178-L1180 PolarHBondContact O-N 3.49Å; L1180-Y1182 VanDerWaalsContact C-N 3.31Å; L1180-Y1182 PolarHBondContact O-N 3.32Å; L1180-R1183 PolarHBondContact O-N 3.02Å; L1180-R1183 VanDerWaalsContact O-N 3.1Å; L1180-I1184 HydrophobicContact CD1-CD1 3.96Å; L1180-I1184 HydrophobicContact CD1-CG1 4.09Å; L1180-I1184 HydrophobicContact CD2-CD1 4.44Å; L1180-I1184 HydrophobicContact CG-CD1 3.85Å; L1180-I1184 HydrophobicContact CG-CG1 4.39Å; L1180-I1184 WeakPolarHBondContact O-CG1 3.31Å; L1180-I1184 PolarHBondContact O-N 2.97Å; L1180-L1264 HydrophobicContact CD1-CD1 4.47Å; L1180-L1264 HydrophobicContact CD2-CD1 4.38Å; L1180-F1267 HydrophobicContact CD1-CD1 3.97Å; L1180-F1267 HydrophobicContact CD1-CE1 4.04Å; L1180-V1268 HydrophobicContact CD1-CG2 3.79Å; L1180-V1268 HydrophobicContact CD2-CG2 3.95Å; L1180-L1275 HydrophobicContact CB-CD2 3.9Å; L1180-L1275 HydrophobicContact CD1-CD1 4.34Å |
| 1181 | L | 91 | Very high | 86.7 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.1 | -43.1 | -178.2 | -72.7 | 163.7 | 0 | 0 | 0 | 112.2 | I1163 R1177 L1178 L1185 V1215 N1219 Y1222 | I1163-L1181 HydrophobicContact CD1-CD2 3.26Å; I1163-L1181 HydrophobicContact CD1-CG 4.28Å; I1163-L1181 HydrophobicContact CG1-CD2 4.2Å; R1177-L1181 VanDerWaalsContact O-CG 3.23Å; R1177-L1181 WeakPolarHBondContact O-CG 3.36Å; R1177-L1181 PolarHBondContact O-N 3.2Å; L1178-L1181 WeakPolarHBondContact O-CB 3.32Å; L1178-L1181 PolarHBondContact O-N 2.86Å; L1181-L1185 WeakPolarHBondContact O-CG 3.35Å; L1181-L1185 PolarHBondContact O-N 3.18Å; L1181-V1215 HydrophobicContact CB-CG2 4.35Å; L1181-V1215 HydrophobicContact CD1-CG1 3.68Å; L1181-N1219 HydrophobicContact CD1-CB 3.97Å; L1181-Y1222 WeakPolarHBondContact CA-OH 3.32Å; L1181-Y1222 HydrophobicContact CB-CE1 4.02Å; L1181-Y1222 HydrophobicContact CD2-CD1 4.25Å; L1181-Y1222 HydrophobicContact CD2-CE1 3.53Å; L1181-Y1222 HydrophobicContact CD2-CE2 3.93Å; L1181-Y1222 WeakPolarHBondContact CD2-OH 3.28Å; L1181-Y1222 HydrophobicContact CG-CE1 4.39Å; L1181-Y1222 PolarHBondContact O-OH 2.88Å |
| 1182 | Y | 87.8 | Confident | 87 | Confident | 23 Ų | 23 | 33.5 Ų | 33.5 | 9% | 0.09 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.4 | -44.4 | 175.6 | -89.4 | -110.4 | 0 | 0 | 0 | 112.4 | Y1057 L1178 C1179 L1180 I1184 L1185 D1186 P1192 H1202 F1204 | Y1057-Y1182 HydrophobicContact CD1-CD1 4.25Å; Y1057-Y1182 AromaticContact CD1-CE1 3.63Å; Y1057-Y1182 HydrophobicContact CD1-CE1 3.63Å; Y1057-Y1182 HydrophobicContact CD1-CE2 4.47Å; Y1057-Y1182 AromaticContact CD1-CZ 3.76Å; Y1057-Y1182 HydrophobicContact CD2-CD1 4.27Å; Y1057-Y1182 AromaticContact CD2-CE1 3.85Å; Y1057-Y1182 HydrophobicContact CD2-CE1 3.85Å; Y1057-Y1182 AromaticContact CE1-CE1 3.54Å; Y1057-Y1182 HydrophobicContact CE1-CE1 3.54Å; Y1057-Y1182 HydrophobicContact CE1-CE2 4.44Å; Y1057-Y1182 AromaticContact CE1-CZ 3.47Å; Y1057-Y1182 VanDerWaalsContact CE1-CZ 3.47Å; Y1057-Y1182 WeakPolarHBondContact CE1-OH 3.33Å; Y1057-Y1182 AromaticContact CE2-CE1 3.77Å; Y1057-Y1182 HydrophobicContact CE2-CE1 3.77Å; Y1057-Y1182 HydrophobicContact CG-CD1 4.08Å; Y1057-Y1182 AromaticContact CG-CE1 3.77Å; Y1057-Y1182 HydrophobicContact CG-CE1 3.77Å; Y1057-Y1182 AromaticContact CZ-CE1 3.6Å; Y1057-Y1182 AromaticContact CZ-CZ 3.86Å; Y1057-Y1182 PolarHBondContact OH-OH 2.82Å; L1178-Y1182 HydrophobicContact CD1-CD2 4.04Å; L1178-Y1182 HydrophobicContact CD1-CE2 3.67Å; L1178-Y1182 HydrophobicContact CD2-CE2 4.48Å; L1178-Y1182 HydrophobicContact CG-CD2 4.06Å; L1178-Y1182 HydrophobicContact CG-CE2 3.86Å; L1178-Y1182 VanDerWaalsContact O-CD2 3.25Å; L1178-Y1182 WeakPolarHBondContact O-CD2 3.38Å; L1178-Y1182 PolarHBondContact O-N 2.91Å; C1179-Y1182 PolarHBondContact O-N 3.27Å; L1180-Y1182 VanDerWaalsContact C-N 3.31Å; L1180-Y1182 PolarHBondContact O-N 3.32Å; Y1182-I1184 VanDerWaalsContact C-N 3.33Å; Y1182-I1184 PolarHBondContact O-N 3.44Å; Y1182-L1185 PolarHBondContact O-N 3.37Å; Y1182-D1186 PolarHBondContact O-N 3.34Å; Y1182-P1192 HydrophobicContact CE1-CG 4.19Å; Y1182-H1202 HydrophobicContact CE2-CB 4.17Å; Y1182-H1202 AromaticContact CZ-ND1 3.9Å; Y1182-H1202 WeakPolarHBondContact OH-CB 3.47Å; Y1182-H1202 VanDerWaalsContact OH-CG 3.29Å; Y1182-H1202 PolarHBondContact OH-ND1 3.02Å; Y1182-F1204 AromaticContact CD1-CE1 3.64Å; Y1182-F1204 HydrophobicContact CD1-CE1 3.64Å; Y1182-F1204 AromaticContact CD1-CZ 3.55Å; Y1182-F1204 HydrophobicContact CD1-CZ 3.55Å; Y1182-F1204 AromaticContact CD2-CZ 3.8Å; Y1182-F1204 HydrophobicContact CD2-CZ 3.8Å; Y1182-F1204 AromaticContact CE1-CE1 3.62Å; Y1182-F1204 HydrophobicContact CE1-CE1 3.62Å; Y1182-F1204 HydrophobicContact CE1-CE2 4.48Å; Y1182-F1204 AromaticContact CE1-CZ 3.34Å; Y1182-F1204 HydrophobicContact CE1-CZ 3.34Å; Y1182-F1204 HydrophobicContact CE2-CE2 4.3Å; Y1182-F1204 AromaticContact CE2-CZ 3.62Å; Y1182-F1204 HydrophobicContact CE2-CZ 3.62Å; Y1182-F1204 HydrophobicContact CG-CE1 4.17Å; Y1182-F1204 AromaticContact CG-CZ 3.79Å; Y1182-F1204 HydrophobicContact CG-CZ 3.79Å; Y1182-F1204 AromaticContact CZ-CZ 3.38Å |
| 1183 | R | 86.8 | Confident | 87.5 | Confident | 48 Ų | 48 | 29 Ų | 29 | 18% | 0.181 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.7 | -34.6 | -177.8 | -76.9 | -176.6 | 170.4 | -91.9 | -9.3 | 112.9 | C1179 L1180 R1187 F1267 N1271 E1274 | C1179-R1183 WeakPolarHBondContact O-CG 3.17Å; C1179-R1183 PolarHBondContact O-N 2.76Å; C1179-R1183 VanDerWaalsContact O-N 3.16Å; L1180-R1183 PolarHBondContact O-N 3.02Å; L1180-R1183 VanDerWaalsContact O-N 3.1Å; R1183-R1187 VanDerWaalsContact O-CG 3.28Å; R1183-R1187 WeakPolarHBondContact O-CG 3.41Å; R1183-R1187 PolarHBondContact O-N 3.3Å; R1183-F1267 HydrophobicContact CB-CE1 3.97Å; R1183-F1267 HydrophobicContact CB-CZ 3.92Å; R1183-N1271 PolarHBondContact NH1-OD1 2.91Å; R1183-E1274 IonicContact CZ-OE1 3.1Å; R1183-E1274 IonicContact CZ-OE2 3.84Å; R1183-E1274 VanDerWaalsContact CZ-OE2 3.27Å; R1183-E1274 IonicContact NH1-OE1 3.67Å; R1183-E1274 PolarHBondContact NH1-OE1 3.28Å; R1183-E1274 IonicContact NH1-OE2 3.79Å; R1183-E1274 PolarHBondContact NH1-OE2 3.08Å; R1183-E1274 IonicContact NH2-OE1 3.92Å; R1183-E1274 PolarHBondContact NH2-OE1 3.16Å; R1183-E1274 IonicContact NH2-OE2 3.56Å |
| 1184 | I | 92.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.4 | -51.2 | 173.2 | -64.9 | 169.5 | 0 | 0 | 0 | 109 | I1163 L1180 Y1182 D1186 R1187 F1188 Y1222 L1253 F1256 L1264 F1267 | I1163-I1184 HydrophobicContact CD1-CD1 3.93Å; L1180-I1184 HydrophobicContact CD1-CD1 3.96Å; L1180-I1184 HydrophobicContact CD1-CG1 4.09Å; L1180-I1184 HydrophobicContact CD2-CD1 4.44Å; L1180-I1184 HydrophobicContact CG-CD1 3.85Å; L1180-I1184 HydrophobicContact CG-CG1 4.39Å; L1180-I1184 WeakPolarHBondContact O-CG1 3.31Å; L1180-I1184 PolarHBondContact O-N 2.97Å; Y1182-I1184 VanDerWaalsContact C-N 3.33Å; Y1182-I1184 PolarHBondContact O-N 3.44Å; I1184-D1186 VanDerWaalsContact C-N 3.32Å; I1184-D1186 PolarHBondContact O-N 3.38Å; I1184-R1187 WeakPolarHBondContact O-CB 3.47Å; I1184-R1187 PolarHBondContact O-N 2.86Å; I1184-F1188 HydrophobicContact CG2-CD2 4.23Å; I1184-F1188 HydrophobicContact CG2-CE2 4.28Å; I1184-F1188 WeakPolarHBondContact O-CD2 3.36Å; I1184-F1188 PolarHBondContact O-N 2.82Å; I1184-Y1222 WeakPolarHBondContact CB-OH 3.46Å; I1184-Y1222 HydrophobicContact CG2-CE2 4.49Å; I1184-L1253 HydrophobicContact CG2-CD1 3.98Å; I1184-F1256 HydrophobicContact CD1-CE1 4.19Å; I1184-F1256 HydrophobicContact CG1-CE1 3.91Å; I1184-F1256 HydrophobicContact CG2-CD1 3.98Å; I1184-F1256 HydrophobicContact CG2-CE1 3.97Å; I1184-L1264 HydrophobicContact CD1-CD1 3.64Å; I1184-L1264 HydrophobicContact CG1-CD1 4.46Å; I1184-F1267 HydrophobicContact CG1-CD1 4.15Å; I1184-F1267 HydrophobicContact CG1-CE1 3.86Å |
| 1185 | L | 92.8 | Very high | 86 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.3 | -39.7 | -179.5 | -72.8 | -176.3 | 0 | 0 | 0 | 113.2 | L1181 Y1182 R1187 F1188 G1189 F1190 F1204 V1213 Y1222 | L1181-L1185 WeakPolarHBondContact O-CG 3.35Å; L1181-L1185 PolarHBondContact O-N 3.18Å; Y1182-L1185 PolarHBondContact O-N 3.37Å; L1185-R1187 VanDerWaalsContact C-N 3.28Å; L1185-R1187 PolarHBondContact O-N 3.47Å; L1185-F1188 CarbonylContact O-C 3.52Å; L1185-F1188 PolarHBondContact O-N 3.31Å; L1185-F1188 VanDerWaalsContact O-N 3.08Å; L1185-G1189 PolarHBondContact O-N 3.34Å; L1185-F1190 HydrophobicContact CB-CB 3.87Å; L1185-F1190 HydrophobicContact CB-CG 4.48Å; L1185-F1190 HydrophobicContact CD2-CB 4.42Å; L1185-F1190 HydrophobicContact CD2-CD2 3.92Å; L1185-F1190 HydrophobicContact CD2-CE2 4.44Å; L1185-F1190 HydrophobicContact CD2-CG 4.14Å; L1185-F1190 WeakPolarHBondContact O-CB 3.41Å; L1185-F1190 PolarHBondContact O-N 3.35Å; L1185-F1204 HydrophobicContact CD1-CB 4.36Å; L1185-F1204 HydrophobicContact CD1-CD1 3.93Å; L1185-F1204 HydrophobicContact CD1-CD2 3.51Å; L1185-F1204 HydrophobicContact CD1-CE1 3.98Å; L1185-F1204 HydrophobicContact CD1-CE2 3.61Å; L1185-F1204 HydrophobicContact CD1-CG 3.68Å; L1185-F1204 HydrophobicContact CD1-CZ 3.82Å; L1185-V1213 HydrophobicContact CD1-CG1 3.92Å; L1185-V1213 HydrophobicContact CD2-CB 4.38Å; L1185-V1213 HydrophobicContact CD2-CG1 3.96Å; L1185-V1213 HydrophobicContact CD2-CG2 4.5Å; L1185-Y1222 HydrophobicContact CD1-CD1 3.96Å; L1185-Y1222 HydrophobicContact CD1-CE1 3.51Å; L1185-Y1222 HydrophobicContact CD2-CD1 4.11Å; L1185-Y1222 HydrophobicContact CD2-CE1 3.79Å; L1185-Y1222 HydrophobicContact CD2-CE2 4.5Å; L1185-Y1222 HydrophobicContact CG-CD1 4.21Å; L1185-Y1222 HydrophobicContact CG-CE1 3.5Å |
| 1186 | D | 87.9 | Confident | 85 | Confident | 61 Ų | 61 | 21.3 Ų | 21.3 | 33% | 0.326 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -59.1 | -37.1 | 175.4 | -175.2 | 55.9 | 0 | 0 | 0 | 112.6 | Y1182 I1184 F1188 G1189 | Y1182-D1186 PolarHBondContact O-N 3.34Å; I1184-D1186 VanDerWaalsContact C-N 3.32Å; I1184-D1186 PolarHBondContact O-N 3.38Å; D1186-F1188 PolarHBondContact O-N 2.8Å; D1186-G1189 PolarHBondContact O-N 2.96Å; D1186-G1189 VanDerWaalsContact O-N 3.17Å |
| 1187 | R | 89.2 | Confident | 83.6 | Confident | 40 Ų | 40 | 22.6 Ų | 22.6 | 15% | 0.151 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.9 | -26.3 | 177.1 | -61.9 | -80.1 | -68 | 127.2 | 5.7 | 113.2 | D896 Y898 R1183 I1184 L1185 F1267 | D896-R1187 CarbonylContact C-O 3.51Å; D896-R1187 WeakPolarHBondContact CA-O 3.46Å; D896-R1187 HydrophobicContact CB-CB 4.43Å; D896-R1187 PolarHBondContact O-NH1 3.48Å; D896-R1187 PolarHBondContact O-NH2 2.97Å; D896-R1187 IonicContact OD2-CZ 3.22Å; D896-R1187 IonicContact OD2-NH2 3.96Å; D896-R1187 PolarHBondContact OD2-NH2 3.04Å; Y898-R1187 PolarHBondContact N-O 3.36Å; R1183-R1187 VanDerWaalsContact O-CG 3.28Å; R1183-R1187 WeakPolarHBondContact O-CG 3.41Å; R1183-R1187 PolarHBondContact O-N 3.3Å; I1184-R1187 WeakPolarHBondContact O-CB 3.47Å; I1184-R1187 PolarHBondContact O-N 2.86Å; L1185-R1187 VanDerWaalsContact C-N 3.28Å; L1185-R1187 PolarHBondContact O-N 3.47Å; R1187-F1267 HydrophobicContact CG-CE2 3.68Å; R1187-F1267 HydrophobicContact CG-CZ 3.84Å |
| 1188 | F | 93.8 | Very high | 82.3 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 8.9 | 177.9 | -78.3 | -91.2 | 0 | 0 | 0 | 112.7 | C895 D896 I1184 L1185 D1186 F1190 H1206 I1249 D1252 L1253 F1256 | C895-F1188 HydrophobicContact CB-CD1 4.34Å; C895-F1188 HydrophobicContact CB-CE1 4.18Å; D896-F1188 HydrophobicContact CB-CD2 4.39Å; D896-F1188 HydrophobicContact CB-CE1 4.36Å; D896-F1188 HydrophobicContact CB-CE2 3.94Å; D896-F1188 HydrophobicContact CB-CZ 3.93Å; I1184-F1188 HydrophobicContact CG2-CD2 4.23Å; I1184-F1188 HydrophobicContact CG2-CE2 4.28Å; I1184-F1188 WeakPolarHBondContact O-CD2 3.36Å; I1184-F1188 PolarHBondContact O-N 2.82Å; L1185-F1188 CarbonylContact O-C 3.52Å; L1185-F1188 PolarHBondContact O-N 3.31Å; L1185-F1188 VanDerWaalsContact O-N 3.08Å; D1186-F1188 PolarHBondContact O-N 2.8Å; F1188-F1190 HydrophobicContact CB-CD2 3.84Å; F1188-F1190 HydrophobicContact CB-CE2 4.03Å; F1188-H1206 PolarHBondContact O-CD2 3.29Å; F1188-H1206 PolarHBondContact O-NE2 2.94Å; F1188-I1249 HydrophobicContact CD1-CG2 4.21Å; F1188-D1252 HydrophobicContact CE1-CB 4.19Å; F1188-D1252 WeakPolarHBondContact CE1-OD2 3.34Å; F1188-L1253 HydrophobicContact CD1-CB 4.28Å; F1188-L1253 HydrophobicContact CD1-CD1 4.41Å; F1188-L1253 HydrophobicContact CD2-CD1 3.76Å; F1188-L1253 HydrophobicContact CE1-CB 4.02Å; F1188-L1253 HydrophobicContact CE1-CD1 4.39Å; F1188-L1253 HydrophobicContact CE2-CD1 3.74Å; F1188-L1253 HydrophobicContact CG-CD1 4.11Å; F1188-L1253 HydrophobicContact CZ-CB 4.28Å; F1188-L1253 HydrophobicContact CZ-CD1 4.07Å; F1188-F1256 HydrophobicContact CE2-CB 4.09Å; F1188-F1256 HydrophobicContact CE2-CD1 4.31Å; F1188-F1256 HydrophobicContact CE2-CD2 4Å; F1188-F1256 AromaticContact CE2-CG 3.88Å; F1188-F1256 HydrophobicContact CE2-CG 3.88Å; F1188-F1256 HydrophobicContact CZ-CB 3.83Å; F1188-F1256 HydrophobicContact CZ-CD2 4.13Å; F1188-F1256 HydrophobicContact CZ-CG 4.05Å |
| 1189 | G | 91.5 | Very high | 80.7 | Confident | 2 Ų | 2 | 24.8 Ų | 24.8 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | 15.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1185 D1186 S1207 | L1185-G1189 PolarHBondContact O-N 3.34Å; D1186-G1189 PolarHBondContact O-N 2.96Å; D1186-G1189 VanDerWaalsContact O-N 3.17Å; G1189-S1207 WeakPolarHBondContact O-CB 3.34Å; G1189-S1207 PolarHBondContact O-N 3.09Å |
| 1190 | F | 93 | Very high | 79.4 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.009 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 138.3 | 174.8 | -73.7 | -88.4 | 0 | 0 | 0 | 111.8 | L1185 F1188 F1204 H1206 M1211 V1213 W1224 | L1185-F1190 HydrophobicContact CB-CB 3.87Å; L1185-F1190 HydrophobicContact CB-CG 4.48Å; L1185-F1190 HydrophobicContact CD2-CB 4.42Å; L1185-F1190 HydrophobicContact CD2-CD2 3.92Å; L1185-F1190 HydrophobicContact CD2-CE2 4.44Å; L1185-F1190 HydrophobicContact CD2-CG 4.14Å; L1185-F1190 WeakPolarHBondContact O-CB 3.41Å; L1185-F1190 PolarHBondContact O-N 3.35Å; F1188-F1190 HydrophobicContact CB-CD2 3.84Å; F1188-F1190 HydrophobicContact CB-CE2 4.03Å; F1190-F1204 HydrophobicContact CB-CB 4.12Å; F1190-F1204 HydrophobicContact CD1-CB 4.19Å; F1190-H1206 HydrophobicContact CD1-CB 3.96Å; F1190-H1206 HydrophobicContact CE1-CB 3.66Å; F1190-H1206 HydrophobicContact CZ-CB 4Å; F1190-M1211 HydrophobicContact CE1-CB 4.25Å; F1190-M1211 HydrophobicContact CZ-CB 4.3Å; F1190-V1213 HydrophobicContact CD1-CB 4.25Å; F1190-V1213 HydrophobicContact CD1-CG2 4.14Å; F1190-V1213 HydrophobicContact CE1-CB 4.09Å; F1190-V1213 HydrophobicContact CE1-CG2 3.53Å; F1190-V1213 HydrophobicContact CE2-CG2 4.48Å; F1190-V1213 HydrophobicContact CZ-CG2 3.74Å; F1190-W1224 HydrophobicContact CE1-CZ3 4.42Å; F1190-W1224 HydrophobicContact CE2-CH2 4.34Å; F1190-W1224 AromaticContact CE2-CZ3 3.86Å; F1190-W1224 HydrophobicContact CE2-CZ3 3.86Å; F1190-W1224 HydrophobicContact CZ-CE3 4.13Å; F1190-W1224 AromaticContact CZ-CH2 3.72Å; F1190-W1224 HydrophobicContact CZ-CH2 3.72Å; F1190-W1224 AromaticContact CZ-CZ3 3.37Å; F1190-W1224 HydrophobicContact CZ-CZ3 3.37Å |
| 1191 | L | 88.1 | Confident | 78.5 | Confident | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 131.3 | -179.3 | -178.9 | 59.1 | 0 | 0 | 0 | 109.1 | V877 P878 N1101 A1103 M1193 F1204 I1205 | V877-L1191 HydrophobicContact CB-CD2 4.35Å; V877-L1191 HydrophobicContact CG1-CD2 4.23Å; P878-L1191 HydrophobicContact CG-CD2 4.48Å; N1101-L1191 WeakPolarHBondContact O-CD1 3.38Å; A1103-L1191 HydrophobicContact CB-CD2 4.01Å; A1103-L1191 HydrophobicContact CB-CG 4.28Å; L1191-M1193 PolarHBondContact O-N 2.92Å; L1191-F1204 CarbonylContact O-C 3.55Å; L1191-F1204 VanDerWaalsContact O-CA 3.23Å; L1191-F1204 WeakPolarHBondContact O-CA 3.46Å; L1191-I1205 HydrophobicContact CB-CG2 4.49Å; L1191-I1205 PolarHBondContact N-O 3.24Å; L1191-I1205 PolarHBondContact O-N 3.36Å |
| 1192 | P | 87.9 | Confident | 78 | Confident | 16 Ų | 16 | 38 Ų | 38 | 10% | 0.104 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.7 | 139.3 | 172.9 | -23.9 | 30 | 0 | 0 | 0 | 111 | L1102 A1103 Y1182 F1204 | L1102-P1192 HydrophobicContact CD1-CB 3.97Å; L1102-P1192 WeakPolarHBondContact CD1-O 3.38Å; A1103-P1192 PolarHBondContact N-O 3.42Å; Y1182-P1192 HydrophobicContact CE1-CG 4.19Å; P1192-F1204 HydrophobicContact CB-CD1 4.21Å; P1192-F1204 HydrophobicContact CB-CE1 4.21Å; P1192-F1204 HydrophobicContact CG-CD1 3.93Å; P1192-F1204 HydrophobicContact CG-CE1 3.71Å |
| 1193 | M | 84.9 | Confident | 78.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 154.5 | 168.9 | 66.2 | 176.4 | -176.7 | 0 | 0 | 109.5 | M875 R1064 A1103 P1143 F1144 L1191 E1203 I1205 L1212 | M875-M1193 HydrophobicContact CE-CB 4.07Å; M875-M1193 HydrophobicContact CE-SD 4.22Å; M875-M1193 HydrophobicContact SD-CB 4.26Å; R1064-M1193 PolarHBondContact NH2-O 3.06Å; A1103-M1193 HydrophobicContact CB-CB 3.92Å; P1143-M1193 HydrophobicContact CB-CE 4.48Å; P1143-M1193 HydrophobicContact CG-CE 3.91Å; F1144-M1193 HydrophobicContact CE2-CE 3.82Å; F1144-M1193 HydrophobicContact CZ-CE 4.41Å; L1191-M1193 PolarHBondContact O-N 2.92Å; M1193-E1203 HydrophobicContact CE-CB 3.72Å; M1193-E1203 HydrophobicContact CG-CB 3.93Å; M1193-E1203 PolarHBondContact N-O 3.45Å; M1193-I1205 HydrophobicContact CB-CG2 4.19Å; M1193-I1205 HydrophobicContact SD-CB 4.05Å; M1193-I1205 HydrophobicContact SD-CG2 4.38Å; M1193-L1212 HydrophobicContact CE-CD2 4Å; M1193-L1212 HydrophobicContact SD-CD2 4.21Å |
| 1194 | N | 69.5 | Low | 78.3 | Confident | 16 Ų | 16 | 34.9 Ų | 34.9 | 9% | 0.086 | 17% | 0.168 | C | C | . | . | trans | -102.3 | 125.6 | 172.8 | -71.6 | -23.3 | 0 | 0 | 0 | 108.1 | R873 R1064 F1196 | R873-N1194 PolarHBondContact NH2-O 3.03Å; R1064-N1194 PolarHBondContact NE-OD1 3.21Å; R1064-N1194 PolarHBondContact NH2-OD1 3.22Å; N1194-F1196 HydrophobicContact CB-CD1 4.44Å; N1194-F1196 HydrophobicContact CB-CE1 3.91Å; N1194-F1196 HydrophobicContact CB-CE2 4.41Å; N1194-F1196 HydrophobicContact CB-CZ 3.91Å | ||
| 1195 | C | 62 | Low | 78.3 | Confident | 11 Ų | 11 | 34.9 Ų | 34.9 | 7% | 0.074 | 17% | 0.168 | C | C | . | . | trans | -98.8 | 108.5 | 160.2 | -175.7 | 0 | 0 | 0 | 0 | 108.5 | R873 E1197 H1198 G1199 E1203 | R873-C1195 VanDerWaalsContact NH2-CA 3.34Å; C1195-E1197 VanDerWaalsContact C-N 3.27Å; C1195-E1197 PolarHBondContact O-N 3.41Å; C1195-H1198 HydrophobicContact CB-CB 4.23Å; C1195-H1198 PolarHBondContact O-N 3.26Å; C1195-H1198 PolarHBondContact SG-ND1 3.41Å; C1195-G1199 WeakPolarHBondContact O-CA 3.35Å; C1195-G1199 PolarHBondContact O-N 2.74Å; C1195-E1203 WeakPolarHBondContact CB-OE2 3.21Å | ||
| 1196 | F | 56.4 | Low | 78.4 | Confident | 42 Ų | 42 | 34.9 Ų | 34.9 | 18% | 0.184 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -27.2 | -176.8 | -59.2 | -69.1 | 0 | 0 | 0 | 112.6 | A1068 L1071 E1105 N1194 | A1068-F1196 VanDerWaalsContact CA-CD1 3.5Å; A1068-F1196 HydrophobicContact CB-CD1 3.75Å; A1068-F1196 HydrophobicContact CB-CE1 4.16Å; L1071-F1196 HydrophobicContact CD1-CB 4.31Å; L1071-F1196 HydrophobicContact CD1-CD2 3.74Å; L1071-F1196 HydrophobicContact CD1-CE2 4.26Å; L1071-F1196 HydrophobicContact CD1-CG 4.04Å; L1071-F1196 HydrophobicContact CD2-CD2 4.14Å; L1071-F1196 HydrophobicContact CD2-CE2 3.79Å; L1071-F1196 HydrophobicContact CD2-CZ 4.12Å; L1071-F1196 HydrophobicContact CG-CD2 4.19Å; L1071-F1196 HydrophobicContact CG-CE2 4.3Å; L1071-F1196 HydrophobicContact CG-CG 4.41Å; E1105-F1196 HydrophobicContact CB-CE2 3.93Å; E1105-F1196 VanDerWaalsContact CD-CE2 3.49Å; E1105-F1196 HydrophobicContact CG-CE2 4.22Å; E1105-F1196 WeakPolarHBondContact OE1-CD2 3.37Å; E1105-F1196 WeakPolarHBondContact OE2-CD2 3.36Å; E1105-F1196 WeakPolarHBondContact OE2-CE2 3.43Å; N1194-F1196 HydrophobicContact CB-CD1 4.44Å; N1194-F1196 HydrophobicContact CB-CE1 3.91Å; N1194-F1196 HydrophobicContact CB-CE2 4.41Å; N1194-F1196 HydrophobicContact CB-CZ 3.91Å |
| 1197 | E | 54.3 | Low | 78.6 | Confident | 112 Ų | 112 | 32 Ų | 32 | 52% | 0.523 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -42.2 | 176.7 | -59.4 | -162 | 160 | 0 | 0 | 111.7 | I1141 C1195 | I1141-E1197 WeakPolarHBondContact CG2-OE2 3.34Å; C1195-E1197 VanDerWaalsContact C-N 3.27Å; C1195-E1197 PolarHBondContact O-N 3.41Å |
| 1198 | H | 58.7 | Low | 78.7 | Confident | 61 Ų | 61 | 30.1 Ų | 30.1 | 28% | 0.282 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -19.4 | -177.1 | -58.3 | 110.1 | 0 | 0 | 0 | 114 | D1142 C1195 R1200 | D1142-H1198 IonicContact OD1-CE1 3.32Å; D1142-H1198 IonicContact OD1-NE2 3.39Å; C1195-H1198 HydrophobicContact CB-CB 4.23Å; C1195-H1198 PolarHBondContact O-N 3.26Å; C1195-H1198 PolarHBondContact SG-ND1 3.41Å; H1198-R1200 PolarHBondContact O-N 2.82Å |
| 1199 | G | 51.7 | Low | 78.6 | Confident | 49 Ų | 49 | 30.1 Ų | 30.1 | 51% | 0.505 | 15% | 0.145 | S | C | . | . | trans | 55.8 | -16.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | C1195 | C1195-G1199 WeakPolarHBondContact O-CA 3.35Å; C1195-G1199 PolarHBondContact O-N 2.74Å | ||
| 1200 | R | 58.7 | Low | 78.6 | Confident | 169 Ų | 169 | 30.1 Ų | 30.1 | 64% | 0.638 | 15% | 0.145 | S | C | * | . | S | Bend | trans | -127.6 | -24.8 | -165.5 | -66.3 | -174 | 177.3 | 176.9 | 1.9 | 113.9 | C527 H1198 | C527-R1200 PolarHBondContact SG-NH1 3.14Å; C527-R1200 VanDerWaalsContact SG-NH1 3.45Å; H1198-R1200 PolarHBondContact O-N 2.82Å |
| 1201 | R | 69.4 | Low | 78.6 | Confident | 98 Ų | 98 | 30 Ų | 30 | 37% | 0.37 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -81.5 | 146.4 | -179.3 | -68.9 | -176.4 | -175.8 | 155.4 | 2.6 | 111.4 | R1064 F1144 M1146 E1203 | R1064-R1201 PolarHBondContact NH1-O 3.08Å; R1064-R1201 VanDerWaalsContact NH1-O 3.1Å; F1144-R1201 PolarHBondContact O-NH1 2.97Å; M1146-R1201 VanDerWaalsContact CG-NH1 3.28Å; R1201-E1203 HydrophobicContact CB-CG 3.95Å; R1201-E1203 PolarHBondContact O-N 3.33Å |
| 1202 | H | 82.3 | Confident | 78.8 | Confident | 46 Ų | 46 | 29.9 Ų | 29.9 | 21% | 0.213 | 14% | 0.144 | C | C | . | . | trans | -88.8 | 91.7 | 174.6 | -63.9 | -66.5 | 0 | 0 | 0 | 108.5 | R1064 Y1182 F1204 A1214 V1215 | R1064-H1202 PolarHBondContact NH1-ND1 3.06Å; Y1182-H1202 HydrophobicContact CE2-CB 4.17Å; Y1182-H1202 AromaticContact CZ-ND1 3.9Å; Y1182-H1202 WeakPolarHBondContact OH-CB 3.47Å; Y1182-H1202 VanDerWaalsContact OH-CG 3.29Å; Y1182-H1202 PolarHBondContact OH-ND1 3.02Å; H1202-F1204 HydrophobicContact CB-CE2 4.14Å; H1202-F1204 WeakPolarHBondContact O-CD2 3.29Å; H1202-F1204 VanDerWaalsContact O-CE2 3.32Å; H1202-F1204 WeakPolarHBondContact O-CE2 3.41Å; H1202-A1214 CarbonylContact O-C 3.56Å; H1202-A1214 VanDerWaalsContact O-CA 3.3Å; H1202-A1214 WeakPolarHBondContact O-CA 3.13Å; H1202-V1215 HydrophobicContact CB-CB 4.05Å; H1202-V1215 HydrophobicContact CB-CG2 4.1Å; H1202-V1215 PolarHBondContact O-N 2.87Å | ||
| 1203 | E | 88.1 | Confident | 79.1 | Confident | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.009 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 148.6 | -174.3 | -61.2 | 176.3 | -174.3 | 0 | 0 | 111.9 | F1144 M1193 C1195 R1201 V1213 A1214 | F1144-E1203 HydrophobicContact CD2-CG 3.82Å; F1144-E1203 HydrophobicContact CE2-CB 3.85Å; F1144-E1203 HydrophobicContact CE2-CG 3.57Å; M1193-E1203 HydrophobicContact CE-CB 3.72Å; M1193-E1203 HydrophobicContact CG-CB 3.93Å; M1193-E1203 PolarHBondContact N-O 3.45Å; C1195-E1203 WeakPolarHBondContact CB-OE2 3.21Å; R1201-E1203 HydrophobicContact CB-CG 3.95Å; R1201-E1203 PolarHBondContact O-N 3.33Å; E1203-V1213 CarbonylContact C-O 3.54Å; E1203-V1213 WeakPolarHBondContact CA-O 3.37Å; E1203-A1214 HydrophobicContact CG-CB 4.18Å |
| 1204 | F | 91.9 | Very high | 79.4 | Confident | 3 Ų | 3 | 29.1 Ų | 29.1 | 1% | 0.013 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 150.6 | -173.6 | -58 | -104.9 | 0 | 0 | 0 | 110.4 | Y1182 L1185 F1190 L1191 P1192 H1202 L1212 V1213 V1215 | Y1182-F1204 AromaticContact CD1-CE1 3.64Å; Y1182-F1204 HydrophobicContact CD1-CE1 3.64Å; Y1182-F1204 AromaticContact CD1-CZ 3.55Å; Y1182-F1204 HydrophobicContact CD1-CZ 3.55Å; Y1182-F1204 AromaticContact CD2-CZ 3.8Å; Y1182-F1204 HydrophobicContact CD2-CZ 3.8Å; Y1182-F1204 AromaticContact CE1-CE1 3.62Å; Y1182-F1204 HydrophobicContact CE1-CE1 3.62Å; Y1182-F1204 HydrophobicContact CE1-CE2 4.48Å; Y1182-F1204 AromaticContact CE1-CZ 3.34Å; Y1182-F1204 HydrophobicContact CE1-CZ 3.34Å; Y1182-F1204 HydrophobicContact CE2-CE2 4.3Å; Y1182-F1204 AromaticContact CE2-CZ 3.62Å; Y1182-F1204 HydrophobicContact CE2-CZ 3.62Å; Y1182-F1204 HydrophobicContact CG-CE1 4.17Å; Y1182-F1204 AromaticContact CG-CZ 3.79Å; Y1182-F1204 HydrophobicContact CG-CZ 3.79Å; Y1182-F1204 AromaticContact CZ-CZ 3.38Å; L1185-F1204 HydrophobicContact CD1-CB 4.36Å; L1185-F1204 HydrophobicContact CD1-CD1 3.93Å; L1185-F1204 HydrophobicContact CD1-CD2 3.51Å; L1185-F1204 HydrophobicContact CD1-CE1 3.98Å; L1185-F1204 HydrophobicContact CD1-CE2 3.61Å; L1185-F1204 HydrophobicContact CD1-CG 3.68Å; L1185-F1204 HydrophobicContact CD1-CZ 3.82Å; F1190-F1204 HydrophobicContact CB-CB 4.12Å; F1190-F1204 HydrophobicContact CD1-CB 4.19Å; L1191-F1204 CarbonylContact O-C 3.55Å; L1191-F1204 VanDerWaalsContact O-CA 3.23Å; L1191-F1204 WeakPolarHBondContact O-CA 3.46Å; P1192-F1204 HydrophobicContact CB-CD1 4.21Å; P1192-F1204 HydrophobicContact CB-CE1 4.21Å; P1192-F1204 HydrophobicContact CG-CD1 3.93Å; P1192-F1204 HydrophobicContact CG-CE1 3.71Å; H1202-F1204 HydrophobicContact CB-CE2 4.14Å; H1202-F1204 WeakPolarHBondContact O-CD2 3.29Å; H1202-F1204 VanDerWaalsContact O-CE2 3.32Å; H1202-F1204 WeakPolarHBondContact O-CE2 3.41Å; F1204-L1212 WeakPolarHBondContact O-CA 3.43Å; F1204-V1213 PolarHBondContact N-O 2.66Å; F1204-V1213 PolarHBondContact O-N 2.91Å; F1204-V1215 HydrophobicContact CE2-CG2 3.97Å |
| 1205 | I | 92.9 | Very high | 80.3 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 134.3 | 174.5 | -178.5 | 162.2 | 0 | 0 | 0 | 109.4 | M875 V877 A1103 V1137 V1139 L1191 M1193 L1212 | M875-I1205 HydrophobicContact CB-CD1 3.84Å; M875-I1205 HydrophobicContact CG-CD1 4.22Å; V877-I1205 HydrophobicContact CG1-CD1 4.36Å; V877-I1205 HydrophobicContact CG1-CG1 4.5Å; V877-I1205 HydrophobicContact CG1-CG2 3.67Å; A1103-I1205 HydrophobicContact CB-CG2 3.66Å; V1137-I1205 HydrophobicContact CG2-CD1 3.7Å; V1139-I1205 HydrophobicContact CG2-CD1 3.78Å; L1191-I1205 HydrophobicContact CB-CG2 4.49Å; L1191-I1205 PolarHBondContact N-O 3.24Å; L1191-I1205 PolarHBondContact O-N 3.36Å; M1193-I1205 HydrophobicContact CB-CG2 4.19Å; M1193-I1205 HydrophobicContact SD-CB 4.05Å; M1193-I1205 HydrophobicContact SD-CG2 4.38Å; I1205-L1212 HydrophobicContact CB-CD2 3.68Å; I1205-L1212 HydrophobicContact CD1-CD2 3.81Å; I1205-L1212 HydrophobicContact CG1-CD2 3.6Å |
| 1206 | H | 94.6 | Very high | 81.5 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 149.4 | 174.5 | -175.7 | -102.1 | 0 | 0 | 0 | 110.8 | Y898 F1188 F1190 S1208 G1209 M1211 F1245 | Y898-H1206 AromaticContact CE1-NE2 3.97Å; Y898-H1206 AromaticContact CE2-NE2 3.8Å; Y898-H1206 AromaticContact CZ-CE1 3.85Å; Y898-H1206 AromaticContact CZ-NE2 3.43Å; Y898-H1206 PolarHBondContact OH-CE1 2.91Å; Y898-H1206 PolarHBondContact OH-NE2 3.43Å; F1188-H1206 PolarHBondContact O-CD2 3.29Å; F1188-H1206 PolarHBondContact O-NE2 2.94Å; F1190-H1206 HydrophobicContact CD1-CB 3.96Å; F1190-H1206 HydrophobicContact CE1-CB 3.66Å; F1190-H1206 HydrophobicContact CZ-CB 4Å; H1206-S1208 WeakPolarHBondContact ND1-CB 3.48Å; H1206-S1208 PolarHBondContact ND1-N 3.27Å; H1206-S1208 PolarHBondContact ND1-OG 3.31Å; H1206-S1208 PolarHBondContact O-N 2.94Å; H1206-S1208 VanDerWaalsContact O-N 3.07Å; H1206-G1209 WeakPolarHBondContact O-CA 3.34Å; H1206-G1209 PolarHBondContact O-N 2.94Å; H1206-M1211 HydrophobicContact CB-CB 3.89Å; H1206-M1211 HydrophobicContact CB-CE 3.82Å; H1206-M1211 PolarHBondContact N-O 2.61Å; H1206-M1211 WeakPolarHBondContact ND1-CE 3.06Å; H1206-F1245 AromaticContact CE1-CZ 3.91Å |
| 1207 | S | 91.1 | Very high | 82.7 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -24.8 | 179.1 | 69.2 | 0 | 0 | 0 | 0 | 114.7 | P878 G1189 G1209 | P878-S1207 WeakPolarHBondContact O-CB 3.43Å; G1189-S1207 WeakPolarHBondContact O-CB 3.34Å; G1189-S1207 PolarHBondContact O-N 3.09Å; S1207-G1209 VanDerWaalsContact C-N 3.34Å |
| 1208 | S | 91.3 | Very high | 84.1 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -17.9 | 173.2 | 79.8 | 0 | 0 | 0 | 0 | 113.6 | N1135 H1206 G1210 V1239 T1240 | N1135-S1208 PolarHBondContact ND2-O 2.95Å; H1206-S1208 WeakPolarHBondContact ND1-CB 3.48Å; H1206-S1208 PolarHBondContact ND1-N 3.27Å; H1206-S1208 PolarHBondContact ND1-OG 3.31Å; H1206-S1208 PolarHBondContact O-N 2.94Å; H1206-S1208 VanDerWaalsContact O-N 3.07Å; S1208-G1210 PolarHBondContact O-N 3.31Å; S1208-G1210 PolarHBondContact OG-N 3.48Å; S1208-V1239 WeakPolarHBondContact CA-O 3.46Å; S1208-V1239 VanDerWaalsContact CB-O 3.3Å; S1208-V1239 WeakPolarHBondContact CB-O 3.26Å; S1208-T1240 WeakPolarHBondContact CB-O 3.13Å; S1208-T1240 PolarHBondContact OG-O 3.14Å |
| 1209 | G | 91.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 77.9 | -7.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | H1206 S1207 N1227 | H1206-G1209 WeakPolarHBondContact O-CA 3.34Å; H1206-G1209 PolarHBondContact O-N 2.94Å; S1207-G1209 VanDerWaalsContact C-N 3.34Å; G1209-N1227 WeakPolarHBondContact O-CB 3.36Å; G1209-N1227 PolarHBondContact O-ND2 3.23Å |
| 1210 | G | 91.2 | Very high | 87.2 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -82.5 | -9.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | S1208 N1227 | S1208-G1210 PolarHBondContact O-N 3.31Å; S1208-G1210 PolarHBondContact OG-N 3.48Å; G1210-N1227 WeakPolarHBondContact O-CB 3.46Å; G1210-N1227 PolarHBondContact O-N 2.79Å |
| 1211 | M | 93.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 142.2 | -171.8 | -59.4 | 166.3 | -78.7 | 0 | 0 | 110.7 | F1190 H1206 W1224 W1226 F1245 Q1246 I1249 | F1190-M1211 HydrophobicContact CE1-CB 4.25Å; F1190-M1211 HydrophobicContact CZ-CB 4.3Å; H1206-M1211 HydrophobicContact CB-CB 3.89Å; H1206-M1211 HydrophobicContact CB-CE 3.82Å; H1206-M1211 PolarHBondContact N-O 2.61Å; H1206-M1211 WeakPolarHBondContact ND1-CE 3.06Å; M1211-W1224 HydrophobicContact CB-CH2 4.22Å; M1211-W1224 HydrophobicContact CB-CZ2 3.9Å; M1211-W1224 HydrophobicContact CG-CH2 4.19Å; M1211-W1224 HydrophobicContact CG-CZ2 3.64Å; M1211-W1224 HydrophobicContact SD-CH2 3.46Å; M1211-W1224 WeakPolarHBondContact SD-CH2 3.03Å; M1211-W1224 HydrophobicContact SD-CZ2 3.32Å; M1211-W1224 WeakPolarHBondContact SD-CZ2 3.49Å; M1211-W1226 HydrophobicContact CG-CE3 3.76Å; M1211-W1226 HydrophobicContact CG-CZ3 3.63Å; M1211-W1226 HydrophobicContact SD-CZ3 3.96Å; M1211-F1245 HydrophobicContact CE-CD1 4.5Å; M1211-F1245 HydrophobicContact CE-CE1 3.92Å; M1211-Q1246 HydrophobicContact CE-CG 4.23Å; M1211-Q1246 HydrophobicContact CG-CB 4.47Å; M1211-Q1246 HydrophobicContact CG-CG 3.96Å; M1211-Q1246 HydrophobicContact SD-CB 4.16Å; M1211-Q1246 HydrophobicContact SD-CG 3.93Å; M1211-I1249 HydrophobicContact CE-CD1 3.66Å; M1211-I1249 HydrophobicContact SD-CB 4.25Å; M1211-I1249 HydrophobicContact SD-CD1 4.36Å; M1211-I1249 HydrophobicContact SD-CG2 4.33Å |
| 1212 | L | 93.7 | Very high | 90 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 141.7 | -178.3 | -54.3 | 169.7 | 0 | 0 | 0 | 109.2 | V1139 P1143 F1144 M1193 F1204 I1205 T1225 N1227 | V1139-L1212 HydrophobicContact CG1-CD1 4.01Å; V1139-L1212 HydrophobicContact CG1-CD2 4.4Å; P1143-L1212 HydrophobicContact CB-CD1 3.54Å; F1144-L1212 HydrophobicContact CE1-CB 4.16Å; F1144-L1212 HydrophobicContact CZ-CB 3.69Å; M1193-L1212 HydrophobicContact CE-CD2 4Å; M1193-L1212 HydrophobicContact SD-CD2 4.21Å; F1204-L1212 WeakPolarHBondContact O-CA 3.43Å; I1205-L1212 HydrophobicContact CB-CD2 3.68Å; I1205-L1212 HydrophobicContact CD1-CD2 3.81Å; I1205-L1212 HydrophobicContact CG1-CD2 3.6Å; L1212-T1225 HydrophobicContact CB-CG2 3.74Å; L1212-T1225 HydrophobicContact CD1-CG2 4.34Å; L1212-T1225 PolarHBondContact N-O 2.72Å; L1212-T1225 PolarHBondContact O-N 3.46Å; L1212-N1227 HydrophobicContact CD1-CB 4.17Å; L1212-N1227 HydrophobicContact CG-CB 4.22Å |
| 1213 | V | 93.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 137 | 176.8 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | F1144 L1185 F1190 E1203 F1204 Y1222 L1223 W1224 | F1144-V1213 VanDerWaalsContact CE1-C 3.46Å; F1144-V1213 WeakPolarHBondContact CZ-O 3.35Å; L1185-V1213 HydrophobicContact CD1-CG1 3.92Å; L1185-V1213 HydrophobicContact CD2-CB 4.38Å; L1185-V1213 HydrophobicContact CD2-CG1 3.96Å; L1185-V1213 HydrophobicContact CD2-CG2 4.5Å; F1190-V1213 HydrophobicContact CD1-CB 4.25Å; F1190-V1213 HydrophobicContact CD1-CG2 4.14Å; F1190-V1213 HydrophobicContact CE1-CB 4.09Å; F1190-V1213 HydrophobicContact CE1-CG2 3.53Å; F1190-V1213 HydrophobicContact CE2-CG2 4.48Å; F1190-V1213 HydrophobicContact CZ-CG2 3.74Å; E1203-V1213 CarbonylContact C-O 3.54Å; E1203-V1213 WeakPolarHBondContact CA-O 3.37Å; F1204-V1213 PolarHBondContact N-O 2.66Å; F1204-V1213 PolarHBondContact O-N 2.91Å; V1213-Y1222 HydrophobicContact CG1-CD1 3.58Å; V1213-Y1222 HydrophobicContact CG1-CG 3.91Å; V1213-L1223 CarbonylContact C-O 3.53Å; V1213-L1223 WeakPolarHBondContact CA-O 3.38Å; V1213-W1224 HydrophobicContact CG2-CB 4.46Å; V1213-W1224 HydrophobicContact CG2-CD2 4.08Å; V1213-W1224 HydrophobicContact CG2-CE3 3.41Å; V1213-W1224 VanDerWaalsContact CG2-CE3 3.41Å; V1213-W1224 HydrophobicContact CG2-CZ3 4.03Å |
| 1214 | A | 90.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 147.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | F1144 H1202 E1203 Y1222 L1223 | F1144-A1214 HydrophobicContact CD1-CB 3.79Å; F1144-A1214 HydrophobicContact CD2-CB 3.85Å; F1144-A1214 HydrophobicContact CE1-CB 3.73Å; F1144-A1214 VanDerWaalsContact CE1-N 3.26Å; F1144-A1214 HydrophobicContact CE2-CB 3.82Å; F1144-A1214 HydrophobicContact CG-CB 3.86Å; F1144-A1214 HydrophobicContact CZ-CB 3.76Å; F1144-A1214 VanDerWaalsContact CZ-N 3.33Å; H1202-A1214 CarbonylContact O-C 3.56Å; H1202-A1214 VanDerWaalsContact O-CA 3.3Å; H1202-A1214 WeakPolarHBondContact O-CA 3.13Å; E1203-A1214 HydrophobicContact CG-CB 4.18Å; A1214-Y1222 CarbonylContact O-C 3.59Å; A1214-Y1222 WeakPolarHBondContact O-CA 3.44Å; A1214-L1223 HydrophobicContact CB-CB 4.3Å; A1214-L1223 PolarHBondContact N-O 3.09Å; A1214-L1223 PolarHBondContact O-N 3.19Å |
| 1215 | V | 89.1 | Confident | 90.4 | Very high | 8 Ų | 8 | 16.3 Ų | 16.3 | 5% | 0.048 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 135.5 | 169.4 | 174.1 | 0 | 0 | 0 | 0 | 109.3 | L1178 L1181 H1202 F1204 N1219 Y1222 | L1178-V1215 HydrophobicContact CD1-CG1 4.05Å; L1178-V1215 HydrophobicContact CD1-CG2 4.41Å; L1181-V1215 HydrophobicContact CB-CG2 4.35Å; L1181-V1215 HydrophobicContact CD1-CG1 3.68Å; H1202-V1215 HydrophobicContact CB-CB 4.05Å; H1202-V1215 HydrophobicContact CB-CG2 4.1Å; H1202-V1215 PolarHBondContact O-N 2.87Å; F1204-V1215 HydrophobicContact CE2-CG2 3.97Å; V1215-N1219 WeakPolarHBondContact CG1-OD1 3.46Å; V1215-Y1222 HydrophobicContact CG2-CD1 4.35Å; V1215-Y1222 HydrophobicContact CG2-CE1 4.3Å |
| 1216 | S | 87.4 | Confident | 90.2 | Very high | 10 Ų | 10 | 19.2 Ų | 19.2 | 7% | 0.07 | 11% | 0.108 | C | C | . | . | trans | -62.2 | 150.1 | 175.8 | 66.6 | 0 | 0 | 0 | 0 | 111.6 | D1218 N1219 Q1220 G1221 | S1216-D1218 WeakPolarHBondContact CB-OD1 3.42Å; S1216-D1218 PolarHBondContact O-N 3.07Å; S1216-D1218 PolarHBondContact OG-OD1 3.07Å; S1216-N1219 PolarHBondContact O-N 3.26Å; S1216-N1219 PolarHBondContact OG-N 3.31Å; S1216-Q1220 PolarHBondContact OG-N 2.77Å; S1216-Q1220 VanDerWaalsContact OG-N 3.08Å; S1216-G1221 PolarHBondContact N-O 2.82Å; S1216-G1221 PolarHBondContact OG-N 3.08Å; S1216-G1221 VanDerWaalsContact OG-N 3.13Å; S1216-G1221 PolarHBondContact OG-O 2.97Å | ||
| 1217 | S | 81.4 | Confident | 89.9 | Confident | 127 Ų | 127 | 19.6 Ų | 19.6 | 89% | 0.888 | 11% | 0.111 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -29.2 | -176.8 | 47.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1218 | D | 83.7 | Confident | 89.4 | Confident | 83 Ų | 83 | 21 Ų | 21 | 44% | 0.444 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -0.2 | 177 | 62.2 | 1.2 | 0 | 0 | 0 | 113.9 | S1216 Q1220 | S1216-D1218 WeakPolarHBondContact CB-OD1 3.42Å; S1216-D1218 PolarHBondContact O-N 3.07Å; S1216-D1218 PolarHBondContact OG-OD1 3.07Å; D1218-Q1220 HydrophobicContact CB-CG 3.99Å; D1218-Q1220 PolarHBondContact O-N 3.11Å; D1218-Q1220 PolarHBondContact O-NE2 3.4Å; D1218-Q1220 VanDerWaalsContact O-NE2 3.07Å; D1218-Q1220 WeakPolarHBondContact OD1-CB 3.37Å; D1218-Q1220 PolarHBondContact OD1-N 3.24Å; D1218-Q1220 VanDerWaalsContact OD1-N 3.09Å; D1218-Q1220 VanDerWaalsContact OD2-CG 3.27Å; D1218-Q1220 WeakPolarHBondContact OD2-CG 3.42Å |
| 1219 | N | 86.3 | Confident | 89.1 | Confident | 22 Ų | 22 | 22.7 Ų | 22.7 | 12% | 0.118 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 53.6 | 32.5 | -175.4 | -51.7 | -65.4 | 0 | 0 | 0 | 113.9 | R1177 L1181 V1215 S1216 | R1177-N1219 HydrophobicContact CB-CB 4.36Å; L1181-N1219 HydrophobicContact CD1-CB 3.97Å; V1215-N1219 WeakPolarHBondContact CG1-OD1 3.46Å; S1216-N1219 PolarHBondContact O-N 3.26Å; S1216-N1219 PolarHBondContact OG-N 3.31Å |
| 1220 | Q | 88.3 | Confident | 88.8 | Confident | 53 Ų | 53 | 23.4 Ų | 23.4 | 25% | 0.248 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -90.4 | -11.9 | 176.2 | -60.2 | -54 | -59.5 | 0 | 0 | 113.5 | F1160 I1163 L1168 S1216 D1218 | F1160-Q1220 HydrophobicContact CZ-CB 4.38Å; I1163-Q1220 PolarHBondContact N-O 3.38Å; L1168-Q1220 HydrophobicContact CD1-CB 4.46Å; L1168-Q1220 VanDerWaalsContact CD1-OE1 3.22Å; S1216-Q1220 PolarHBondContact OG-N 2.77Å; S1216-Q1220 VanDerWaalsContact OG-N 3.08Å; D1218-Q1220 HydrophobicContact CB-CG 3.99Å; D1218-Q1220 PolarHBondContact O-N 3.11Å; D1218-Q1220 PolarHBondContact O-NE2 3.4Å; D1218-Q1220 VanDerWaalsContact O-NE2 3.07Å; D1218-Q1220 WeakPolarHBondContact OD1-CB 3.37Å; D1218-Q1220 PolarHBondContact OD1-N 3.24Å; D1218-Q1220 VanDerWaalsContact OD1-N 3.09Å; D1218-Q1220 VanDerWaalsContact OD2-CG 3.27Å; D1218-Q1220 WeakPolarHBondContact OD2-CG 3.42Å |
| 1221 | G | 92.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176 | -152.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | I1161 S1216 | I1161-G1221 VanDerWaalsContact O-CA 3.3Å; I1161-G1221 WeakPolarHBondContact O-CA 3.19Å; S1216-G1221 PolarHBondContact N-O 2.82Å; S1216-G1221 PolarHBondContact OG-N 3.08Å; S1216-G1221 VanDerWaalsContact OG-N 3.13Å; S1216-G1221 PolarHBondContact OG-O 2.97Å |
| 1222 | Y | 94.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 144.4 | -175.1 | -56.7 | -68.7 | 0 | 0 | 0 | 111.7 | F1160 I1161 I1163 L1181 I1184 L1185 V1213 A1214 V1215 | F1160-Y1222 CarbonylContact C-O 3.51Å; F1160-Y1222 WeakPolarHBondContact CA-O 3.41Å; F1160-Y1222 WeakPolarHBondContact CD2-O 3.45Å; I1161-Y1222 PolarHBondContact N-O 2.83Å; I1161-Y1222 PolarHBondContact O-N 3.31Å; I1163-Y1222 HydrophobicContact CD1-CE2 4.08Å; I1163-Y1222 HydrophobicContact CG1-CE2 4.4Å; L1181-Y1222 WeakPolarHBondContact CA-OH 3.32Å; L1181-Y1222 HydrophobicContact CB-CE1 4.02Å; L1181-Y1222 HydrophobicContact CD2-CD1 4.25Å; L1181-Y1222 HydrophobicContact CD2-CE1 3.53Å; L1181-Y1222 HydrophobicContact CD2-CE2 3.93Å; L1181-Y1222 WeakPolarHBondContact CD2-OH 3.28Å; L1181-Y1222 HydrophobicContact CG-CE1 4.39Å; L1181-Y1222 PolarHBondContact O-OH 2.88Å; I1184-Y1222 WeakPolarHBondContact CB-OH 3.46Å; I1184-Y1222 HydrophobicContact CG2-CE2 4.49Å; L1185-Y1222 HydrophobicContact CD1-CD1 3.96Å; L1185-Y1222 HydrophobicContact CD1-CE1 3.51Å; L1185-Y1222 HydrophobicContact CD2-CD1 4.11Å; L1185-Y1222 HydrophobicContact CD2-CE1 3.79Å; L1185-Y1222 HydrophobicContact CD2-CE2 4.5Å; L1185-Y1222 HydrophobicContact CG-CD1 4.21Å; L1185-Y1222 HydrophobicContact CG-CE1 3.5Å; V1213-Y1222 HydrophobicContact CG1-CD1 3.58Å; V1213-Y1222 HydrophobicContact CG1-CG 3.91Å; A1214-Y1222 CarbonylContact O-C 3.59Å; A1214-Y1222 WeakPolarHBondContact O-CA 3.44Å; V1215-Y1222 HydrophobicContact CG2-CD1 4.35Å; V1215-Y1222 HydrophobicContact CG2-CE1 4.3Å |
| 1223 | L | 90.3 | Very high | 86.7 | Confident | 22 Ų | 22 | 29.7 Ų | 29.7 | 12% | 0.115 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 105.7 | 165.7 | -62.7 | 174.8 | 0 | 0 | 0 | 107.2 | F1144 M1146 P1158 F1160 V1213 A1214 | F1144-L1223 HydrophobicContact CD1-CB 4.48Å; F1144-L1223 WeakPolarHBondContact CE1-O 3.47Å; M1146-L1223 HydrophobicContact CE-CD1 4.2Å; M1146-L1223 HydrophobicContact SD-CD1 3.89Å; P1158-L1223 HydrophobicContact CB-CB 3.88Å; P1158-L1223 HydrophobicContact CB-CD2 4.31Å; P1158-L1223 HydrophobicContact CG-CB 4.3Å; P1158-L1223 HydrophobicContact CG-CD2 4.07Å; F1160-L1223 HydrophobicContact CD2-CD2 3.99Å; V1213-L1223 CarbonylContact C-O 3.53Å; V1213-L1223 WeakPolarHBondContact CA-O 3.38Å; A1214-L1223 HydrophobicContact CB-CB 4.3Å; A1214-L1223 PolarHBondContact N-O 3.09Å; A1214-L1223 PolarHBondContact O-N 3.19Å |
| 1224 | W | 92 | Very high | 86.3 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 140.8 | 179.8 | 178.2 | -76 | 0 | 0 | 0 | 111 | P1158 I1159 I1161 F1190 M1211 V1213 W1226 I1249 L1250 L1253 | P1158-W1224 CarbonylContact C-O 3.53Å; P1158-W1224 WeakPolarHBondContact CA-O 3.44Å; P1158-W1224 WeakPolarHBondContact CB-O 3.41Å; I1159-W1224 HydrophobicContact CB-CB 4.26Å; I1159-W1224 PolarHBondContact N-O 2.93Å; I1159-W1224 PolarHBondContact O-N 2.64Å; I1161-W1224 HydrophobicContact CD1-CB 3.9Å; I1161-W1224 HydrophobicContact CD1-CD2 4.35Å; I1161-W1224 HydrophobicContact CD1-CE3 3.93Å; I1161-W1224 HydrophobicContact CD1-CG 4.38Å; I1161-W1224 HydrophobicContact CG1-CB 4.39Å; F1190-W1224 HydrophobicContact CE1-CZ3 4.42Å; F1190-W1224 HydrophobicContact CE2-CH2 4.34Å; F1190-W1224 AromaticContact CE2-CZ3 3.86Å; F1190-W1224 HydrophobicContact CE2-CZ3 3.86Å; F1190-W1224 HydrophobicContact CZ-CE3 4.13Å; F1190-W1224 AromaticContact CZ-CH2 3.72Å; F1190-W1224 HydrophobicContact CZ-CH2 3.72Å; F1190-W1224 AromaticContact CZ-CZ3 3.37Å; F1190-W1224 HydrophobicContact CZ-CZ3 3.37Å; M1211-W1224 HydrophobicContact CB-CH2 4.22Å; M1211-W1224 HydrophobicContact CB-CZ2 3.9Å; M1211-W1224 HydrophobicContact CG-CH2 4.19Å; M1211-W1224 HydrophobicContact CG-CZ2 3.64Å; M1211-W1224 HydrophobicContact SD-CH2 3.46Å; M1211-W1224 WeakPolarHBondContact SD-CH2 3.03Å; M1211-W1224 HydrophobicContact SD-CZ2 3.32Å; M1211-W1224 WeakPolarHBondContact SD-CZ2 3.49Å; V1213-W1224 HydrophobicContact CG2-CB 4.46Å; V1213-W1224 HydrophobicContact CG2-CD2 4.08Å; V1213-W1224 HydrophobicContact CG2-CE3 3.41Å; V1213-W1224 VanDerWaalsContact CG2-CE3 3.41Å; V1213-W1224 HydrophobicContact CG2-CZ3 4.03Å; W1224-W1226 AromaticContact CE2-CH2 3.99Å; W1224-W1226 AromaticContact CE2-CZ3 3.71Å; W1224-W1226 HydrophobicContact CZ2-CE3 4.25Å; W1224-W1226 AromaticContact CZ2-CH2 3.86Å; W1224-W1226 HydrophobicContact CZ2-CH2 3.86Å; W1224-W1226 AromaticContact CZ2-CZ3 3.46Å; W1224-W1226 HydrophobicContact CZ2-CZ3 3.46Å; W1224-W1226 VanDerWaalsContact CZ2-CZ3 3.46Å; W1224-W1226 AromaticContact NE1-CD2 3.77Å; W1224-W1226 AromaticContact NE1-CE2 3.88Å; W1224-W1226 AromaticContact NE1-CE3 3.51Å; W1224-W1226 AromaticContact NE1-CH2 3.54Å; W1224-W1226 AromaticContact NE1-CZ2 3.81Å; W1224-W1226 AromaticContact NE1-CZ3 3.36Å; W1224-I1249 HydrophobicContact CH2-CB 4.38Å; W1224-I1249 HydrophobicContact CH2-CG2 3.79Å; W1224-I1249 HydrophobicContact CZ3-CG2 4.39Å; W1224-L1250 HydrophobicContact CB-CD1 4.45Å; W1224-L1250 HydrophobicContact CD2-CD1 3.73Å; W1224-L1250 HydrophobicContact CE3-CD1 4.09Å; W1224-L1250 HydrophobicContact CG-CD1 3.88Å; W1224-L1250 HydrophobicContact CH2-CB 4.16Å; W1224-L1250 HydrophobicContact CZ2-CB 3.78Å; W1224-L1250 HydrophobicContact CZ2-CD1 4.39Å; W1224-L1253 HydrophobicContact CE3-CD2 3.78Å; W1224-L1253 HydrophobicContact CZ3-CD2 3.58Å |
| 1225 | T | 89 | Confident | 86 | Confident | 16 Ų | 16 | 35.3 Ų | 35.3 | 10% | 0.098 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 144.9 | 171.1 | -173 | 0 | 0 | 0 | 0 | 111 | P1143 F1144 L1212 | P1143-T1225 WeakPolarHBondContact O-CG2 3.26Å; F1144-T1225 HydrophobicContact CD1-CG2 3.75Å; F1144-T1225 HydrophobicContact CE1-CG2 3.55Å; F1144-T1225 HydrophobicContact CZ-CG2 4.28Å; L1212-T1225 HydrophobicContact CB-CG2 3.74Å; L1212-T1225 HydrophobicContact CD1-CG2 4.34Å; L1212-T1225 PolarHBondContact N-O 2.72Å; L1212-T1225 PolarHBondContact O-N 3.46Å |
| 1226 | W | 88.3 | Confident | 85.8 | Confident | 60 Ų | 60 | 36.3 Ų | 36.3 | 23% | 0.227 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 143.1 | 170.9 | -53.3 | 121.5 | 0 | 0 | 0 | 109.7 | M1211 W1224 P1228 Q1246 L1250 | M1211-W1226 HydrophobicContact CG-CE3 3.76Å; M1211-W1226 HydrophobicContact CG-CZ3 3.63Å; M1211-W1226 HydrophobicContact SD-CZ3 3.96Å; W1224-W1226 AromaticContact CE2-CH2 3.99Å; W1224-W1226 AromaticContact CE2-CZ3 3.71Å; W1224-W1226 HydrophobicContact CZ2-CE3 4.25Å; W1224-W1226 AromaticContact CZ2-CH2 3.86Å; W1224-W1226 HydrophobicContact CZ2-CH2 3.86Å; W1224-W1226 AromaticContact CZ2-CZ3 3.46Å; W1224-W1226 HydrophobicContact CZ2-CZ3 3.46Å; W1224-W1226 VanDerWaalsContact CZ2-CZ3 3.46Å; W1224-W1226 AromaticContact NE1-CD2 3.77Å; W1224-W1226 AromaticContact NE1-CE2 3.88Å; W1224-W1226 AromaticContact NE1-CE3 3.51Å; W1224-W1226 AromaticContact NE1-CH2 3.54Å; W1224-W1226 AromaticContact NE1-CZ2 3.81Å; W1224-W1226 AromaticContact NE1-CZ3 3.36Å; W1226-P1228 WeakPolarHBondContact O-CD 3.46Å; W1226-Q1246 HydrophobicContact CE3-CB 4.12Å; W1226-Q1246 HydrophobicContact CE3-CG 4.48Å; W1226-Q1246 VanDerWaalsContact CE3-OE1 3.26Å; W1226-Q1246 HydrophobicContact CH2-CB 3.93Å; W1226-Q1246 HydrophobicContact CZ3-CB 3.43Å; W1226-Q1246 VanDerWaalsContact CZ3-CB 3.43Å; W1226-Q1246 HydrophobicContact CZ3-CG 4.13Å; W1226-L1250 HydrophobicContact CH2-CB 3.92Å; W1226-L1250 HydrophobicContact CH2-CD2 3.85Å; W1226-L1250 HydrophobicContact CZ2-CD2 3.59Å |
| 1227 | N | 88.8 | Confident | 85.5 | Confident | 9 Ų | 9 | 42.4 Ų | 42.4 | 5% | 0.048 | 22% | 0.219 | C | C | . | . | trans | -80.6 | 103.4 | 172.6 | -175.8 | -1.7 | 0 | 0 | 0 | 109.6 | P1138 P1140 G1209 G1210 L1212 M1229 V1230 | P1138-N1227 PolarHBondContact O-ND2 3.24Å; P1138-N1227 PolarHBondContact O-OD1 2.96Å; P1140-N1227 WeakPolarHBondContact CD-OD1 3.47Å; G1209-N1227 WeakPolarHBondContact O-CB 3.36Å; G1209-N1227 PolarHBondContact O-ND2 3.23Å; G1210-N1227 WeakPolarHBondContact O-CB 3.46Å; G1210-N1227 PolarHBondContact O-N 2.79Å; L1212-N1227 HydrophobicContact CD1-CB 4.17Å; L1212-N1227 HydrophobicContact CG-CB 4.22Å; N1227-M1229 PolarHBondContact O-N 3.06Å; N1227-M1229 PolarHBondContact OD1-N 3.33Å; N1227-V1230 HydrophobicContact CB-CG2 4.07Å; N1227-V1230 WeakPolarHBondContact ND2-CG2 3.4Å; N1227-V1230 PolarHBondContact O-N 3.19Å | ||
| 1228 | P | 80.6 | Confident | 85.6 | Confident | 31 Ų | 31 | 41.4 Ų | 41.4 | 20% | 0.201 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -10.9 | -173.3 | 36.9 | -42.9 | 0 | 0 | 0 | 114.3 | P1140 R1156 W1226 V1230 | P1140-P1228 HydrophobicContact CG-CG 3.73Å; R1156-P1228 VanDerWaalsContact NH2-CG 3.3Å; W1226-P1228 WeakPolarHBondContact O-CD 3.46Å; P1228-V1230 VanDerWaalsContact C-N 3.3Å |
| 1229 | M | 85 | Confident | 85.7 | Confident | 35 Ų | 35 | 37.5 Ų | 37.5 | 17% | 0.172 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -11.1 | -175.7 | -63.6 | -63.4 | -70.3 | 0 | 0 | 111.6 | N329 P1138 P1140 N1227 G1231 | N329-M1229 HydrophobicContact CB-CE 4.03Å; N329-M1229 HydrophobicContact CB-SD 4.06Å; N329-M1229 VanDerWaalsContact O-CE 3.23Å; N329-M1229 WeakPolarHBondContact O-CE 3.3Å; P1138-M1229 HydrophobicContact CB-CB 3.77Å; P1138-M1229 HydrophobicContact CB-CE 4.48Å; P1138-M1229 HydrophobicContact CG-CB 3.72Å; P1138-M1229 WeakPolarHBondContact CG-O 3.42Å; P1140-M1229 HydrophobicContact CG-CG 3.85Å; N1227-M1229 PolarHBondContact O-N 3.06Å; N1227-M1229 PolarHBondContact OD1-N 3.33Å; M1229-G1231 PolarHBondContact O-N 3.22Å |
| 1230 | V | 85 | Confident | 85.6 | Confident | 14 Ų | 14 | 36.5 Ų | 36.5 | 9% | 0.085 | 18% | 0.175 | C | C | . | . | trans | -81.5 | 73.5 | 178 | -171.5 | 0 | 0 | 0 | 0 | 109.8 | N1227 P1228 T1240 | N1227-V1230 HydrophobicContact CB-CG2 4.07Å; N1227-V1230 WeakPolarHBondContact ND2-CG2 3.4Å; N1227-V1230 PolarHBondContact O-N 3.19Å; P1228-V1230 VanDerWaalsContact C-N 3.3Å; V1230-T1240 HydrophobicContact CG1-CG2 4.31Å | ||
| 1231 | G | 76.4 | Confident | 85.4 | Confident | 8 Ų | 8 | 34 Ų | 34 | 8% | 0.082 | 16% | 0.163 | C | C | . | . | trans | -71.5 | -176.4 | 171 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1229 R1233 Y1234 R1235 | M1229-G1231 PolarHBondContact O-N 3.22Å; G1231-R1233 VanDerWaalsContact C-N 3.25Å; G1231-R1233 PolarHBondContact O-N 3.14Å; G1231-Y1234 PolarHBondContact O-N 2.82Å; G1231-Y1234 VanDerWaalsContact O-N 3.11Å; G1231-R1235 PolarHBondContact O-N 3.09Å | ||
| 1232 | L | 76.7 | Confident | 84.9 | Confident | 79 Ų | 79 | 36.4 Ų | 36.4 | 41% | 0.414 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -57.8 | -35.9 | -178.3 | -71.1 | 175.6 | 0 | 0 | 0 | 112.6 | Q268 E333 Y1234 R1235 | Q268-L1232 VanDerWaalsContact CD-CD1 3.5Å; Q268-L1232 HydrophobicContact CG-CD1 4.3Å; Q268-L1232 VanDerWaalsContact NE2-CD1 3.27Å; E333-L1232 PolarHBondContact OE1-N 3.12Å; L1232-Y1234 PolarHBondContact O-N 3.36Å; L1232-R1235 PolarHBondContact O-N 3.27Å |
| 1233 | R | 82.1 | Confident | 84.3 | Confident | 47 Ų | 47 | 39.3 Ų | 39.3 | 18% | 0.177 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -62.2 | -21.5 | 178.7 | 179.5 | 179.3 | -84.9 | -146.1 | 0.9 | 114.1 | E333 G1119 H1123 W1126 G1231 | E333-R1233 HydrophobicContact CG-CB 4.03Å; E333-R1233 WeakPolarHBondContact OE1-CA 3.44Å; E333-R1233 WeakPolarHBondContact OE1-CB 3.4Å; E333-R1233 PolarHBondContact OE1-N 3.04Å; G1119-R1233 PolarHBondContact O-NH1 3.36Å; H1123-R1233 HydrophobicContact CB-CG 4.25Å; H1123-R1233 PolarHBondContact CE1-O 2.94Å; H1123-R1233 VanDerWaalsContact CE1-O 3.23Å; H1123-R1233 WeakPolarHBondContact ND1-CG 3.25Å; H1123-R1233 PolarHBondContact ND1-O 3.46Å; W1126-R1233 WeakPolarHBondContact CZ3-O 3.32Å; G1231-R1233 VanDerWaalsContact C-N 3.25Å; G1231-R1233 PolarHBondContact O-N 3.14Å |
| 1234 | Y | 84.9 | Confident | 83.9 | Confident | 11 Ų | 11 | 44.8 Ų | 44.8 | 4% | 0.043 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -112.6 | 7.5 | -179.9 | -57.5 | -75.7 | 0 | 0 | 0 | 112.9 | V1122 W1126 P1138 G1231 L1232 T1240 | V1122-Y1234 HydrophobicContact CG1-CE1 4.26Å; V1122-Y1234 WeakPolarHBondContact CG1-OH 3.39Å; W1126-Y1234 HydrophobicContact CB-CD1 4.08Å; W1126-Y1234 HydrophobicContact CB-CE1 4.21Å; W1126-Y1234 AromaticContact CD1-CD1 3.98Å; W1126-Y1234 HydrophobicContact CD2-CD1 4.15Å; W1126-Y1234 AromaticContact CG-CD1 3.78Å; W1126-Y1234 HydrophobicContact CG-CD1 3.78Å; W1126-Y1234 HydrophobicContact CG-CE1 4.4Å; W1126-Y1234 WeakPolarHBondContact CZ2-O 3.38Å; P1138-Y1234 HydrophobicContact CG-CD2 3.8Å; P1138-Y1234 HydrophobicContact CG-CE2 3.85Å; P1138-Y1234 HydrophobicContact CG-CG 4.21Å; G1231-Y1234 PolarHBondContact O-N 2.82Å; G1231-Y1234 VanDerWaalsContact O-N 3.11Å; L1232-Y1234 PolarHBondContact O-N 3.36Å; Y1234-T1240 VanDerWaalsContact O-CG2 3.22Å; Y1234-T1240 WeakPolarHBondContact O-CG2 3.39Å |
| 1235 | R | 83.6 | Confident | 83.8 | Confident | 107 Ų | 107 | 44.9 Ų | 44.9 | 40% | 0.404 | 23% | 0.225 | S | C | . | . | trans | -91.1 | 132.9 | -176.2 | -163.1 | 175.5 | -75.1 | -177.3 | -4.6 | 110.8 | G1231 L1232 | G1231-R1235 PolarHBondContact O-N 3.09Å; L1232-R1235 PolarHBondContact O-N 3.27Å | ||
| 1236 | S | 85.1 | Confident | 83.8 | Confident | 28 Ų | 28 | 45.6 Ų | 45.6 | 20% | 0.196 | 23% | 0.228 | C | C | . | . | trans | -143.6 | 122.9 | 170.9 | 166.3 | 0 | 0 | 0 | 0 | 108.5 | Q1238 V1239 T1240 G1241 | S1236-Q1238 PolarHBondContact O-N 3.12Å; S1236-Q1238 VanDerWaalsContact O-N 3.12Å; S1236-V1239 PolarHBondContact O-N 3.45Å; S1236-T1240 PolarHBondContact N-OG1 3.13Å; S1236-T1240 PolarHBondContact O-N 3.39Å; S1236-T1240 PolarHBondContact O-OG1 3.44Å; S1236-G1241 PolarHBondContact O-N 3.3Å | ||
| 1237 | Q | 81 | Confident | 83.8 | Confident | 138 Ų | 138 | 46.3 Ų | 46.3 | 65% | 0.645 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -33.7 | -176.6 | -166.3 | 174.2 | 11.2 | 0 | 0 | 112.5 | L888 | L888-Q1237 WeakPolarHBondContact CD1-O 3.48Š|
| 1238 | Q | 83.2 | Confident | 83.9 | Confident | 107 Ų | 107 | 49.5 Ų | 49.5 | 50% | 0.5 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -28.1 | 179.5 | -66.2 | 174.4 | -15.9 | 0 | 0 | 113.5 | N884 S1236 | N884-Q1238 PolarHBondContact ND2-O 2.66Å; N884-Q1238 VanDerWaalsContact ND2-O 3.09Å; S1236-Q1238 PolarHBondContact O-N 3.12Å; S1236-Q1238 VanDerWaalsContact O-N 3.12Å |
| 1239 | V | 86.9 | Confident | 84.5 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -55 | -170.7 | -179.1 | 0 | 0 | 0 | 0 | 111.9 | F879 N884 I1130 N1135 S1208 S1236 | F879-V1239 HydrophobicContact CB-CG1 4.03Å; F879-V1239 HydrophobicContact CD1-CG1 3.9Å; F879-V1239 HydrophobicContact CD2-CG1 4.17Å; F879-V1239 HydrophobicContact CD2-CG2 4.12Å; F879-V1239 HydrophobicContact CE1-CG1 4.36Å; F879-V1239 HydrophobicContact CE1-CG2 4.38Å; F879-V1239 HydrophobicContact CE2-CG2 3.89Å; F879-V1239 HydrophobicContact CG-CG1 3.79Å; F879-V1239 HydrophobicContact CG-CG2 4.49Å; F879-V1239 HydrophobicContact CZ-CG2 4.03Å; N884-V1239 PolarHBondContact ND2-O 3.23Å; I1130-V1239 HydrophobicContact CD1-CG2 4.41Å; I1130-V1239 HydrophobicContact CG1-CG2 4.48Å; I1130-V1239 HydrophobicContact CG2-CG2 4.18Å; N1135-V1239 HydrophobicContact CB-CG1 3.99Å; S1208-V1239 WeakPolarHBondContact CA-O 3.46Å; S1208-V1239 VanDerWaalsContact CB-O 3.3Å; S1208-V1239 WeakPolarHBondContact CB-O 3.26Å; S1236-V1239 PolarHBondContact O-N 3.45Å |
| 1240 | T | 84.7 | Confident | 84.9 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -23.9 | -176.9 | 62.1 | 0 | 0 | 0 | 0 | 113 | S1208 V1230 Y1234 S1236 | S1208-T1240 WeakPolarHBondContact CB-O 3.13Å; S1208-T1240 PolarHBondContact OG-O 3.14Å; V1230-T1240 HydrophobicContact CG1-CG2 4.31Å; Y1234-T1240 VanDerWaalsContact O-CG2 3.22Å; Y1234-T1240 WeakPolarHBondContact O-CG2 3.39Å; S1236-T1240 PolarHBondContact N-OG1 3.13Å; S1236-T1240 PolarHBondContact O-N 3.39Å; S1236-T1240 PolarHBondContact O-OG1 3.44Å |
| 1241 | G | 83.9 | Confident | 85.2 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | trans | 70 | -178.5 | -167.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1236 | S1236-G1241 PolarHBondContact O-N 3.3Š| ||
| 1242 | D | 82.4 | Confident | 86.1 | Confident | 50 Ų | 50 | 50.9 Ų | 50.9 | 27% | 0.267 | 25% | 0.25 | S | S | . | . | trans | -104.9 | -174.7 | 172.8 | 62.4 | 6.2 | 0 | 0 | 0 | 111.5 | Q1244 F1245 Q1246 | D1242-Q1244 VanDerWaalsContact C-N 3.31Å; D1242-Q1244 PolarHBondContact O-N 2.74Å; D1242-Q1244 PolarHBondContact OD1-N 3.34Å; D1242-F1245 WeakPolarHBondContact O-CB 3.14Å; D1242-F1245 PolarHBondContact O-N 2.81Å; D1242-F1245 VanDerWaalsContact OD1-CB 3.31Å; D1242-F1245 WeakPolarHBondContact OD1-CB 3.16Å; D1242-F1245 PolarHBondContact OD1-N 2.71Å; D1242-Q1246 WeakPolarHBondContact O-CG 3.2Å; D1242-Q1246 PolarHBondContact O-N 3.4Å | ||
| 1243 | A | 80.4 | Confident | 86.9 | Confident | 61 Ų | 61 | 47.1 Ų | 47.1 | 50% | 0.504 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.2 | -37.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | F1245 Q1246 D1247 | A1243-F1245 VanDerWaalsContact C-N 3.35Å; A1243-F1245 PolarHBondContact O-N 2.76Å; A1243-Q1246 WeakPolarHBondContact O-CB 3.14Å; A1243-Q1246 PolarHBondContact O-N 3Å; A1243-Q1246 VanDerWaalsContact O-N 3.16Å; A1243-D1247 VanDerWaalsContact O-CG 3.26Å; A1243-D1247 PolarHBondContact O-N 3.12Å |
| 1244 | Q | 82.6 | Confident | 87.5 | Confident | 137 Ų | 137 | 48.2 Ų | 48.2 | 64% | 0.64 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -65 | -38.8 | 178.7 | -64.5 | -175.9 | -1 | 0 | 0 | 112.2 | D1242 Q1246 D1247 K1248 | D1242-Q1244 VanDerWaalsContact C-N 3.31Å; D1242-Q1244 PolarHBondContact O-N 2.74Å; D1242-Q1244 PolarHBondContact OD1-N 3.34Å; Q1244-Q1246 VanDerWaalsContact C-N 3.32Å; Q1244-D1247 PolarHBondContact O-N 3.48Å; Q1244-K1248 WeakPolarHBondContact O-CB 3.5Å; Q1244-K1248 VanDerWaalsContact O-CG 3.31Å; Q1244-K1248 WeakPolarHBondContact O-CG 3.17Å; Q1244-K1248 PolarHBondContact O-N 2.85Å |
| 1245 | F | 88.5 | Confident | 87.9 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.3 | -45.9 | 172.2 | 168.2 | -101.6 | 0 | 0 | 0 | 111.9 | N884 I887 L888 H1206 M1211 D1242 A1243 K1248 I1249 | N884-F1245 HydrophobicContact CB-CE2 4.46Å; I887-F1245 HydrophobicContact CB-CD2 4.22Å; I887-F1245 HydrophobicContact CB-CE2 4.02Å; I887-F1245 HydrophobicContact CD1-CE2 4.21Å; I887-F1245 HydrophobicContact CG2-CD2 3.73Å; I887-F1245 HydrophobicContact CG2-CE2 3.87Å; L888-F1245 HydrophobicContact CD2-CB 3.76Å; L888-F1245 HydrophobicContact CD2-CD2 4.18Å; L888-F1245 HydrophobicContact CD2-CG 4.31Å; L888-F1245 HydrophobicContact CG-CD2 4.02Å; H1206-F1245 AromaticContact CE1-CZ 3.91Å; M1211-F1245 HydrophobicContact CE-CD1 4.5Å; M1211-F1245 HydrophobicContact CE-CE1 3.92Å; D1242-F1245 WeakPolarHBondContact O-CB 3.14Å; D1242-F1245 PolarHBondContact O-N 2.81Å; D1242-F1245 VanDerWaalsContact OD1-CB 3.31Å; D1242-F1245 WeakPolarHBondContact OD1-CB 3.16Å; D1242-F1245 PolarHBondContact OD1-N 2.71Å; A1243-F1245 VanDerWaalsContact C-N 3.35Å; A1243-F1245 PolarHBondContact O-N 2.76Å; F1245-K1248 PolarHBondContact O-N 2.97Å; F1245-I1249 HydrophobicContact CD1-CD1 4.27Å; F1245-I1249 HydrophobicContact CD2-CD1 4.3Å; F1245-I1249 HydrophobicContact CE1-CD1 3.71Å; F1245-I1249 HydrophobicContact CE2-CD1 3.74Å; F1245-I1249 HydrophobicContact CZ-CD1 3.43Å; F1245-I1249 VanDerWaalsContact CZ-CD1 3.43Å; F1245-I1249 WeakPolarHBondContact O-CG1 3.39Å; F1245-I1249 PolarHBondContact O-N 3.48Å |
| 1246 | Q | 89.6 | Confident | 88.5 | Confident | 31 Ų | 31 | 46.8 Ų | 46.8 | 15% | 0.145 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.8 | -47.3 | 178.6 | -79.1 | -175.2 | 36 | 0 | 0 | 111.6 | M1211 W1226 D1242 A1243 Q1244 K1248 I1249 L1250 | M1211-Q1246 HydrophobicContact CE-CG 4.23Å; M1211-Q1246 HydrophobicContact CG-CB 4.47Å; M1211-Q1246 HydrophobicContact CG-CG 3.96Å; M1211-Q1246 HydrophobicContact SD-CB 4.16Å; M1211-Q1246 HydrophobicContact SD-CG 3.93Å; W1226-Q1246 HydrophobicContact CE3-CB 4.12Å; W1226-Q1246 HydrophobicContact CE3-CG 4.48Å; W1226-Q1246 VanDerWaalsContact CE3-OE1 3.26Å; W1226-Q1246 HydrophobicContact CH2-CB 3.93Å; W1226-Q1246 HydrophobicContact CZ3-CB 3.43Å; W1226-Q1246 VanDerWaalsContact CZ3-CB 3.43Å; W1226-Q1246 HydrophobicContact CZ3-CG 4.13Å; D1242-Q1246 WeakPolarHBondContact O-CG 3.2Å; D1242-Q1246 PolarHBondContact O-N 3.4Å; A1243-Q1246 WeakPolarHBondContact O-CB 3.14Å; A1243-Q1246 PolarHBondContact O-N 3Å; A1243-Q1246 VanDerWaalsContact O-N 3.16Å; Q1244-Q1246 VanDerWaalsContact C-N 3.32Å; Q1246-K1248 PolarHBondContact O-N 2.92Å; Q1246-I1249 PolarHBondContact O-N 2.83Å; Q1246-L1250 PolarHBondContact O-N 3.36Å; Q1246-L1250 VanDerWaalsContact O-N 3.09Å |
| 1247 | D | 88 | Confident | 88.9 | Confident | 75 Ų | 75 | 45.4 Ų | 45.4 | 40% | 0.401 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.5 | -41.4 | 177.2 | -66.4 | -24.9 | 0 | 0 | 0 | 112.5 | A1243 Q1244 I1249 L1250 H1251 | A1243-D1247 VanDerWaalsContact O-CG 3.26Å; A1243-D1247 PolarHBondContact O-N 3.12Å; Q1244-D1247 PolarHBondContact O-N 3.48Å; D1247-I1249 VanDerWaalsContact C-N 3.31Å; D1247-I1249 PolarHBondContact O-N 2.96Å; D1247-L1250 PolarHBondContact O-N 3.42Å; D1247-H1251 VanDerWaalsContact O-CB 3.3Å; D1247-H1251 WeakPolarHBondContact O-CB 3.07Å; D1247-H1251 PolarHBondContact O-N 3.41Å |
| 1248 | K | 91 | Very high | 89.5 | Confident | 76 Ų | 76 | 43.4 Ų | 43.4 | 33% | 0.33 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.3 | -43.6 | 175.7 | -81.1 | -178.6 | 179.7 | -172.8 | 0 | 111.6 | I887 S890 Q1244 F1245 Q1246 D1252 | I887-K1248 HydrophobicContact CG2-CD 4.48Å; I887-K1248 PolarHBondContact O-NZ 2.72Å; S890-K1248 PolarHBondContact O-NZ 3.24Å; Q1244-K1248 WeakPolarHBondContact O-CB 3.5Å; Q1244-K1248 VanDerWaalsContact O-CG 3.31Å; Q1244-K1248 WeakPolarHBondContact O-CG 3.17Å; Q1244-K1248 PolarHBondContact O-N 2.85Å; F1245-K1248 PolarHBondContact O-N 2.97Å; Q1246-K1248 PolarHBondContact O-N 2.92Å; K1248-D1252 PolarHBondContact O-N 3.24Å |
| 1249 | I | 93.6 | Very high | 90 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69 | -45.9 | -179.7 | -65.7 | 174.4 | 0 | 0 | 0 | 110.7 | I887 C895 F1188 M1211 W1224 F1245 Q1246 D1247 H1251 D1252 L1253 | I887-I1249 HydrophobicContact CD1-CD1 4.46Å; C895-I1249 HydrophobicContact CB-CG1 4.07Å; F1188-I1249 HydrophobicContact CD1-CG2 4.21Å; M1211-I1249 HydrophobicContact CE-CD1 3.66Å; M1211-I1249 HydrophobicContact SD-CB 4.25Å; M1211-I1249 HydrophobicContact SD-CD1 4.36Å; M1211-I1249 HydrophobicContact SD-CG2 4.33Å; W1224-I1249 HydrophobicContact CH2-CB 4.38Å; W1224-I1249 HydrophobicContact CH2-CG2 3.79Å; W1224-I1249 HydrophobicContact CZ3-CG2 4.39Å; F1245-I1249 HydrophobicContact CD1-CD1 4.27Å; F1245-I1249 HydrophobicContact CD2-CD1 4.3Å; F1245-I1249 HydrophobicContact CE1-CD1 3.71Å; F1245-I1249 HydrophobicContact CE2-CD1 3.74Å; F1245-I1249 HydrophobicContact CZ-CD1 3.43Å; F1245-I1249 VanDerWaalsContact CZ-CD1 3.43Å; F1245-I1249 WeakPolarHBondContact O-CG1 3.39Å; F1245-I1249 PolarHBondContact O-N 3.48Å; Q1246-I1249 PolarHBondContact O-N 2.83Å; D1247-I1249 VanDerWaalsContact C-N 3.31Å; D1247-I1249 PolarHBondContact O-N 2.96Å; I1249-H1251 VanDerWaalsContact C-N 3.31Å; I1249-H1251 PolarHBondContact O-N 3.38Å; I1249-D1252 PolarHBondContact O-N 3.35Å; I1249-L1253 VanDerWaalsContact O-CB 3.32Å; I1249-L1253 WeakPolarHBondContact O-CB 3.29Å; I1249-L1253 PolarHBondContact O-N 3.38Å |
| 1250 | L | 93 | Very high | 90.3 | Very high | 18 Ų | 18 | 43.9 Ų | 43.9 | 9% | 0.094 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.8 | -47.5 | 176.6 | 173.2 | 57.8 | 0 | 0 | 0 | 111 | I1159 I1161 W1224 W1226 Q1246 D1247 L1253 N1254 | I1159-L1250 HydrophobicContact CD1-CD2 3.89Å; I1161-L1250 HydrophobicContact CD1-CD1 3.56Å; I1161-L1250 HydrophobicContact CG1-CD1 4.27Å; W1224-L1250 HydrophobicContact CB-CD1 4.45Å; W1224-L1250 HydrophobicContact CD2-CD1 3.73Å; W1224-L1250 HydrophobicContact CE3-CD1 4.09Å; W1224-L1250 HydrophobicContact CG-CD1 3.88Å; W1224-L1250 HydrophobicContact CH2-CB 4.16Å; W1224-L1250 HydrophobicContact CZ2-CB 3.78Å; W1224-L1250 HydrophobicContact CZ2-CD1 4.39Å; W1226-L1250 HydrophobicContact CH2-CB 3.92Å; W1226-L1250 HydrophobicContact CH2-CD2 3.85Å; W1226-L1250 HydrophobicContact CZ2-CD2 3.59Å; Q1246-L1250 PolarHBondContact O-N 3.36Å; Q1246-L1250 VanDerWaalsContact O-N 3.09Å; D1247-L1250 PolarHBondContact O-N 3.42Å; L1250-L1253 PolarHBondContact O-N 3.31Å; L1250-N1254 WeakPolarHBondContact O-CB 3.31Å; L1250-N1254 PolarHBondContact O-N 2.75Å |
| 1251 | H | 91.7 | Very high | 90.7 | Very high | 97 Ų | 97 | 48.7 Ų | 48.7 | 45% | 0.449 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.7 | -45.9 | 179.5 | -176.3 | 69 | 0 | 0 | 0 | 112.7 | D1247 I1249 N1254 R1255 | D1247-H1251 VanDerWaalsContact O-CB 3.3Å; D1247-H1251 WeakPolarHBondContact O-CB 3.07Å; D1247-H1251 PolarHBondContact O-N 3.41Å; I1249-H1251 VanDerWaalsContact C-N 3.31Å; I1249-H1251 PolarHBondContact O-N 3.38Å; H1251-N1254 PolarHBondContact O-N 3.12Å; H1251-R1255 VanDerWaalsContact NE2-CZ 3.33Å; H1251-R1255 PolarHBondContact NE2-NE 2.95Å; H1251-R1255 VanDerWaalsContact NE2-NE 3.2Å; H1251-R1255 PolarHBondContact NE2-NH2 2.92Å; H1251-R1255 PolarHBondContact O-N 3.38Å; H1251-R1255 VanDerWaalsContact O-N 3.09Å |
| 1252 | D | 94.6 | Very high | 91 | Very high | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.7 | -37.2 | 179.1 | -169.6 | 47.1 | 0 | 0 | 0 | 112.7 | P893 C895 F1188 K1248 I1249 N1254 R1255 F1256 R1263 | P893-D1252 WeakPolarHBondContact O-CB 3.3Å; P893-D1252 VanDerWaalsContact O-CG 3.29Å; C895-D1252 HydrophobicContact CB-CB 4.06Å; C895-D1252 PolarHBondContact N-OD2 2.8Å; F1188-D1252 HydrophobicContact CE1-CB 4.19Å; F1188-D1252 WeakPolarHBondContact CE1-OD2 3.34Å; K1248-D1252 PolarHBondContact O-N 3.24Å; I1249-D1252 PolarHBondContact O-N 3.35Å; D1252-N1254 VanDerWaalsContact C-N 3.32Å; D1252-N1254 PolarHBondContact O-N 3.23Å; D1252-R1255 PolarHBondContact O-N 3.22Å; D1252-F1256 WeakPolarHBondContact O-CB 3.41Å; D1252-F1256 PolarHBondContact O-N 3.05Å; D1252-R1263 IonicContact OD1-CZ 3.86Å; D1252-R1263 IonicContact OD1-NH1 2.77Å; D1252-R1263 PolarHBondContact OD1-NH1 3.07Å; D1252-R1263 IonicContact OD1-NH2 3.83Å; D1252-R1263 PolarHBondContact OD1-NH2 3.19Å; D1252-R1263 IonicContact OD2-CZ 3.9Å; D1252-R1263 IonicContact OD2-NH1 2.74Å; D1252-R1263 IonicContact OD2-NH2 3.17Å; D1252-R1263 PolarHBondContact OD2-NH2 3.17Å |
| 1253 | L | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 175 | 179.6 | 62.9 | 0 | 0 | 0 | 110.7 | I1161 I1184 F1188 W1224 I1249 L1250 F1256 C1257 | I1161-L1253 HydrophobicContact CD1-CD2 3.79Å; I1161-L1253 HydrophobicContact CD1-CG 4.27Å; I1184-L1253 HydrophobicContact CG2-CD1 3.98Å; F1188-L1253 HydrophobicContact CD1-CB 4.28Å; F1188-L1253 HydrophobicContact CD1-CD1 4.41Å; F1188-L1253 HydrophobicContact CD2-CD1 3.76Å; F1188-L1253 HydrophobicContact CE1-CB 4.02Å; F1188-L1253 HydrophobicContact CE1-CD1 4.39Å; F1188-L1253 HydrophobicContact CE2-CD1 3.74Å; F1188-L1253 HydrophobicContact CG-CD1 4.11Å; F1188-L1253 HydrophobicContact CZ-CB 4.28Å; F1188-L1253 HydrophobicContact CZ-CD1 4.07Å; W1224-L1253 HydrophobicContact CE3-CD2 3.78Å; W1224-L1253 HydrophobicContact CZ3-CD2 3.58Å; I1249-L1253 VanDerWaalsContact O-CB 3.32Å; I1249-L1253 WeakPolarHBondContact O-CB 3.29Å; I1249-L1253 PolarHBondContact O-N 3.38Å; L1250-L1253 PolarHBondContact O-N 3.31Å; L1253-F1256 WeakPolarHBondContact O-CB 3.45Å; L1253-F1256 PolarHBondContact O-N 3.12Å; L1253-C1257 WeakPolarHBondContact O-CB 3.42Å; L1253-C1257 PolarHBondContact O-N 3Å; L1253-C1257 PolarHBondContact O-SG 3.48Å |
| 1254 | N | 93.2 | Very high | 92.2 | Very high | 70 Ų | 70 | 50.5 Ų | 50.5 | 37% | 0.374 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.2 | -48.4 | 177 | -163.8 | -12.5 | 0 | 0 | 0 | 111.3 | I1161 L1250 H1251 D1252 F1256 C1257 D1258 | I1161-N1254 HydrophobicContact CG2-CB 4.28Å; L1250-N1254 WeakPolarHBondContact O-CB 3.31Å; L1250-N1254 PolarHBondContact O-N 2.75Å; H1251-N1254 PolarHBondContact O-N 3.12Å; D1252-N1254 VanDerWaalsContact C-N 3.32Å; D1252-N1254 PolarHBondContact O-N 3.23Å; N1254-F1256 VanDerWaalsContact C-N 3.3Å; N1254-F1256 PolarHBondContact O-N 3.22Å; N1254-C1257 PolarHBondContact O-N 3.17Å; N1254-C1257 VanDerWaalsContact O-N 3.16Å; N1254-D1258 PolarHBondContact O-N 3.04Å |
| 1255 | R | 94.3 | Very high | 92.7 | Very high | 84 Ų | 84 | 46.3 Ų | 46.3 | 32% | 0.317 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.6 | -39 | 174.2 | -75.7 | -173.1 | 174.4 | -169.9 | 0.2 | 113.1 | H1251 D1252 D1258 D1259 Y1260 | H1251-R1255 VanDerWaalsContact NE2-CZ 3.33Å; H1251-R1255 PolarHBondContact NE2-NE 2.95Å; H1251-R1255 VanDerWaalsContact NE2-NE 3.2Å; H1251-R1255 PolarHBondContact NE2-NH2 2.92Å; H1251-R1255 PolarHBondContact O-N 3.38Å; H1251-R1255 VanDerWaalsContact O-N 3.09Å; D1252-R1255 PolarHBondContact O-N 3.22Å; R1255-D1258 PolarHBondContact O-N 2.85Å; R1255-D1259 PolarHBondContact O-N 3.3Å; R1255-Y1260 HydrophobicContact CB-CG 4.42Å; R1255-Y1260 WeakPolarHBondContact O-CB 3.47Å; R1255-Y1260 PolarHBondContact O-N 2.89Å |
| 1256 | F | 95.2 | Very high | 92.8 | Very high | 3 Ų | 3 | 51 Ų | 51 | 1% | 0.013 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62 | -47.6 | 175.9 | -170.8 | -78.5 | 0 | 0 | 0 | 110.4 | I1184 F1188 D1252 L1253 N1254 D1258 D1259 R1263 L1264 F1267 | I1184-F1256 HydrophobicContact CD1-CE1 4.19Å; I1184-F1256 HydrophobicContact CG1-CE1 3.91Å; I1184-F1256 HydrophobicContact CG2-CD1 3.98Å; I1184-F1256 HydrophobicContact CG2-CE1 3.97Å; F1188-F1256 HydrophobicContact CE2-CB 4.09Å; F1188-F1256 HydrophobicContact CE2-CD1 4.31Å; F1188-F1256 HydrophobicContact CE2-CD2 4Å; F1188-F1256 AromaticContact CE2-CG 3.88Å; F1188-F1256 HydrophobicContact CE2-CG 3.88Å; F1188-F1256 HydrophobicContact CZ-CB 3.83Å; F1188-F1256 HydrophobicContact CZ-CD2 4.13Å; F1188-F1256 HydrophobicContact CZ-CG 4.05Å; D1252-F1256 WeakPolarHBondContact O-CB 3.41Å; D1252-F1256 PolarHBondContact O-N 3.05Å; L1253-F1256 WeakPolarHBondContact O-CB 3.45Å; L1253-F1256 PolarHBondContact O-N 3.12Å; N1254-F1256 VanDerWaalsContact C-N 3.3Å; N1254-F1256 PolarHBondContact O-N 3.22Å; F1256-D1258 VanDerWaalsContact C-N 3.32Å; F1256-D1258 PolarHBondContact O-N 2.8Å; F1256-D1259 PolarHBondContact O-N 3.12Å; F1256-D1259 VanDerWaalsContact O-N 3.1Å; F1256-R1263 HydrophobicContact CD2-CB 4.01Å; F1256-R1263 HydrophobicContact CE2-CB 4.07Å; F1256-L1264 HydrophobicContact CD1-CB 4.45Å; F1256-L1264 HydrophobicContact CD1-CD1 4.43Å; F1256-L1264 HydrophobicContact CE1-CB 4.26Å; F1256-L1264 HydrophobicContact CE1-CD1 3.88Å; F1256-L1264 VanDerWaalsContact O-CB 3.31Å; F1256-L1264 WeakPolarHBondContact O-CB 3.12Å; F1256-F1267 HydrophobicContact CZ-CB 3.8Å; F1256-F1267 HydrophobicContact CZ-CD1 4.24Å; F1256-F1267 HydrophobicContact CZ-CD2 4.29Å; F1256-F1267 AromaticContact CZ-CG 3.86Å; F1256-F1267 HydrophobicContact CZ-CG 3.86Å |
| 1257 | C | 95 | Very high | 92.9 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.5 | -29.4 | 179.6 | -69 | 0 | 0 | 0 | 0 | 113.9 | I1161 P1162 I1163 K1164 L1253 N1254 D1259 | I1161-C1257 HydrophobicContact CG2-CB 4.07Å; P1162-C1257 WeakPolarHBondContact O-CB 3.39Å; I1163-C1257 HydrophobicContact CG1-CB 4.16Å; K1164-C1257 PolarHBondContact N-O 3.02Å; L1253-C1257 WeakPolarHBondContact O-CB 3.42Å; L1253-C1257 PolarHBondContact O-N 3Å; L1253-C1257 PolarHBondContact O-SG 3.48Å; N1254-C1257 PolarHBondContact O-N 3.17Å; N1254-C1257 VanDerWaalsContact O-N 3.16Å; C1257-D1259 PolarHBondContact O-N 2.87Å |
| 1258 | D | 93.1 | Very high | 93 | Very high | 95 Ų | 95 | 47.3 Ų | 47.3 | 51% | 0.508 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 4.8 | 173.1 | -167.2 | 37.9 | 0 | 0 | 0 | 113.6 | N1254 R1255 F1256 Y1260 | N1254-D1258 PolarHBondContact O-N 3.04Å; R1255-D1258 PolarHBondContact O-N 2.85Å; F1256-D1258 VanDerWaalsContact C-N 3.32Å; F1256-D1258 PolarHBondContact O-N 2.8Å; D1258-Y1260 PolarHBondContact O-N 2.7Å |
| 1259 | D | 94.1 | Very high | 92.8 | Very high | 12 Ų | 12 | 49 Ų | 49 | 6% | 0.064 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 32 | -176.4 | -161.7 | 37.1 | 0 | 0 | 0 | 113.7 | K1164 R1255 F1256 C1257 E1261 H1262 R1263 L1264 S1265 | K1164-D1259 HydrophobicContact CD-CB 3.66Å; R1255-D1259 PolarHBondContact O-N 3.3Å; F1256-D1259 PolarHBondContact O-N 3.12Å; F1256-D1259 VanDerWaalsContact O-N 3.1Å; C1257-D1259 PolarHBondContact O-N 2.87Å; D1259-E1261 PolarHBondContact O-N 3.24Å; D1259-H1262 WeakPolarHBondContact O-CA 3.24Å; D1259-H1262 PolarHBondContact O-N 3.11Å; D1259-H1262 WeakPolarHBondContact OD1-CA 3.5Å; D1259-H1262 IonicContact OD2-ND1 2.82Å; D1259-R1263 PolarHBondContact OD1-N 3.25Å; D1259-L1264 HydrophobicContact CB-CB 4.09Å; D1259-L1264 WeakPolarHBondContact OD1-CA 3.44Å; D1259-L1264 WeakPolarHBondContact OD1-CB 3.47Å; D1259-L1264 PolarHBondContact OD1-N 3.33Å; D1259-S1265 VanDerWaalsContact CG-OG 3.31Å; D1259-S1265 PolarHBondContact OD1-N 2.99Å; D1259-S1265 PolarHBondContact OD1-OG 2.94Å; D1259-S1265 PolarHBondContact OD2-OG 2.77Å |
| 1260 | Y | 92.8 | Very high | 92.6 | Very high | 107 Ų | 107 | 56.5 Ų | 56.5 | 42% | 0.42 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -58.3 | 133 | 174.1 | -173.3 | -101.7 | 0 | 0 | 0 | 110.2 | R1255 D1258 H1262 R1263 | R1255-Y1260 HydrophobicContact CB-CG 4.42Å; R1255-Y1260 WeakPolarHBondContact O-CB 3.47Å; R1255-Y1260 PolarHBondContact O-N 2.89Å; D1258-Y1260 PolarHBondContact O-N 2.7Å; Y1260-H1262 PolarHBondContact O-N 3.09Å; Y1260-R1263 WeakPolarHBondContact O-CB 3.4Å; Y1260-R1263 WeakPolarHBondContact O-CG 3.23Å; Y1260-R1263 PolarHBondContact O-N 2.8Å |
| 1261 | E | 91.9 | Very high | 92.2 | Very high | 101 Ų | 101 | 56.4 Ų | 56.4 | 47% | 0.472 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | 55.1 | 26.6 | -171.8 | -63.3 | 175.1 | 178.5 | 0 | 0 | 114.2 | R894 D1259 R1263 | R894-E1261 IonicContact CZ-OE2 3.2Å; R894-E1261 IonicContact NE-OE2 2.84Å; R894-E1261 IonicContact NH2-OE2 2.68Å; R894-E1261 PolarHBondContact NH2-OE2 3.36Å; D1259-E1261 PolarHBondContact O-N 3.24Å; E1261-R1263 HydrophobicContact CB-CG 4.3Å; E1261-R1263 PolarHBondContact O-N 3.11Å; E1261-R1263 VanDerWaalsContact O-N 3.14Å |
| 1262 | H | 91.8 | Very high | 91.9 | Very high | 127 Ų | 127 | 58 Ų | 58 | 59% | 0.588 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | 58.5 | 21.6 | -177.8 | -55.1 | -62.2 | 0 | 0 | 0 | 114.5 | D1259 Y1260 L1264 S1265 L1266 | D1259-H1262 WeakPolarHBondContact O-CA 3.24Å; D1259-H1262 PolarHBondContact O-N 3.11Å; D1259-H1262 WeakPolarHBondContact OD1-CA 3.5Å; D1259-H1262 IonicContact OD2-ND1 2.82Å; Y1260-H1262 PolarHBondContact O-N 3.09Å; H1262-L1264 PolarHBondContact O-N 3.18Å; H1262-S1265 PolarHBondContact O-N 3.48Å; H1262-L1266 WeakPolarHBondContact O-CB 3.41Å; H1262-L1266 VanDerWaalsContact O-CG 3.25Å; H1262-L1266 WeakPolarHBondContact O-CG 3.43Å; H1262-L1266 PolarHBondContact O-N 2.87Å |
| 1263 | R | 93.5 | Very high | 91.2 | Very high | 24 Ų | 24 | 63.1 Ų | 63.1 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.3 | -42.2 | -173.9 | -75.6 | 171.3 | 68.4 | -157.2 | 10.3 | 112.6 | D896 D1252 F1256 D1259 Y1260 E1261 F1267 | D896-R1263 IonicContact OD1-CZ 3.53Å; D896-R1263 IonicContact OD1-NH2 2.84Å; D896-R1263 PolarHBondContact OD1-NH2 3.36Å; D1252-R1263 IonicContact OD1-CZ 3.86Å; D1252-R1263 IonicContact OD1-NH1 2.77Å; D1252-R1263 PolarHBondContact OD1-NH1 3.07Å; D1252-R1263 IonicContact OD1-NH2 3.83Å; D1252-R1263 PolarHBondContact OD1-NH2 3.19Å; D1252-R1263 IonicContact OD2-CZ 3.9Å; D1252-R1263 IonicContact OD2-NH1 2.74Å; D1252-R1263 IonicContact OD2-NH2 3.17Å; D1252-R1263 PolarHBondContact OD2-NH2 3.17Å; F1256-R1263 HydrophobicContact CD2-CB 4.01Å; F1256-R1263 HydrophobicContact CE2-CB 4.07Å; D1259-R1263 PolarHBondContact OD1-N 3.25Å; Y1260-R1263 WeakPolarHBondContact O-CB 3.4Å; Y1260-R1263 WeakPolarHBondContact O-CG 3.23Å; Y1260-R1263 PolarHBondContact O-N 2.8Å; E1261-R1263 HydrophobicContact CB-CG 4.3Å; E1261-R1263 PolarHBondContact O-N 3.11Å; E1261-R1263 VanDerWaalsContact O-N 3.14Å; R1263-F1267 VanDerWaalsContact O-CB 3.24Å; R1263-F1267 WeakPolarHBondContact O-CB 3.37Å; R1263-F1267 PolarHBondContact O-N 3.44Å |
| 1264 | L | 93.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -70.3 | -43.9 | 179.8 | 173 | 64.3 | 0 | 0 | 0 | 110.7 | I1163 V1167 L1180 I1184 F1256 D1259 H1262 L1266 F1267 V1268 | I1163-L1264 HydrophobicContact CG2-CD2 3.72Å; V1167-L1264 HydrophobicContact CB-CD2 3.95Å; V1167-L1264 HydrophobicContact CB-CG 4.43Å; V1167-L1264 HydrophobicContact CG1-CD2 3.94Å; V1167-L1264 HydrophobicContact CG1-CG 3.97Å; V1167-L1264 HydrophobicContact CG2-CD2 3.83Å; V1167-L1264 HydrophobicContact CG2-CG 4.18Å; L1180-L1264 HydrophobicContact CD1-CD1 4.47Å; L1180-L1264 HydrophobicContact CD2-CD1 4.38Å; I1184-L1264 HydrophobicContact CD1-CD1 3.64Å; I1184-L1264 HydrophobicContact CG1-CD1 4.46Å; F1256-L1264 HydrophobicContact CD1-CB 4.45Å; F1256-L1264 HydrophobicContact CD1-CD1 4.43Å; F1256-L1264 HydrophobicContact CE1-CB 4.26Å; F1256-L1264 HydrophobicContact CE1-CD1 3.88Å; F1256-L1264 VanDerWaalsContact O-CB 3.31Å; F1256-L1264 WeakPolarHBondContact O-CB 3.12Å; D1259-L1264 HydrophobicContact CB-CB 4.09Å; D1259-L1264 WeakPolarHBondContact OD1-CA 3.44Å; D1259-L1264 WeakPolarHBondContact OD1-CB 3.47Å; D1259-L1264 PolarHBondContact OD1-N 3.33Å; H1262-L1264 PolarHBondContact O-N 3.18Å; L1264-L1266 PolarHBondContact O-N 2.89Å; L1264-F1267 WeakPolarHBondContact O-CB 3.41Å; L1264-F1267 PolarHBondContact O-N 3Å; L1264-F1267 VanDerWaalsContact O-N 3.14Å; L1264-V1268 HydrophobicContact CD1-CG2 4.38Å; L1264-V1268 WeakPolarHBondContact O-CG2 3.42Å; L1264-V1268 PolarHBondContact O-N 3.47Å |
| 1265 | S | 92.5 | Very high | 89.6 | Confident | 48 Ų | 48 | 64.8 Ų | 64.8 | 34% | 0.336 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59 | -47 | 176.5 | -72.9 | 0 | 0 | 0 | 0 | 111.8 | D1259 H1262 F1267 V1268 Q1269 | D1259-S1265 VanDerWaalsContact CG-OG 3.31Å; D1259-S1265 PolarHBondContact OD1-N 2.99Å; D1259-S1265 PolarHBondContact OD1-OG 2.94Å; D1259-S1265 PolarHBondContact OD2-OG 2.77Å; H1262-S1265 PolarHBondContact O-N 3.48Å; S1265-F1267 VanDerWaalsContact C-N 3.31Å; S1265-F1267 PolarHBondContact O-N 2.82Å; S1265-V1268 PolarHBondContact O-N 3.3Å; S1265-Q1269 WeakPolarHBondContact O-CB 3.49Å; S1265-Q1269 PolarHBondContact O-N 3.41Å |
| 1266 | L | 91.8 | Very high | 88.6 | Confident | 99 Ų | 99 | 62.4 Ų | 62.4 | 52% | 0.518 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.9 | -36.9 | 174.8 | -71.5 | 172.1 | 0 | 0 | 0 | 112 | H1262 L1264 Q1269 K1270 | H1262-L1266 WeakPolarHBondContact O-CB 3.41Å; H1262-L1266 VanDerWaalsContact O-CG 3.25Å; H1262-L1266 WeakPolarHBondContact O-CG 3.43Å; H1262-L1266 PolarHBondContact O-N 2.87Å; L1264-L1266 PolarHBondContact O-N 2.89Å; L1266-Q1269 PolarHBondContact O-N 3.12Å; L1266-K1270 WeakPolarHBondContact O-CB 3.4Å; L1266-K1270 PolarHBondContact O-N 3.24Å |
| 1267 | F | 90.7 | Very high | 87.5 | Confident | 18 Ų | 18 | 64.5 Ų | 64.5 | 8% | 0.079 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.6 | -45.1 | 176.4 | -175.6 | -103.9 | 0 | 0 | 0 | 112.1 | L1180 R1183 I1184 R1187 F1256 R1263 L1264 S1265 Q1269 K1270 N1271 | L1180-F1267 HydrophobicContact CD1-CD1 3.97Å; L1180-F1267 HydrophobicContact CD1-CE1 4.04Å; R1183-F1267 HydrophobicContact CB-CE1 3.97Å; R1183-F1267 HydrophobicContact CB-CZ 3.92Å; I1184-F1267 HydrophobicContact CG1-CD1 4.15Å; I1184-F1267 HydrophobicContact CG1-CE1 3.86Å; R1187-F1267 HydrophobicContact CG-CE2 3.68Å; R1187-F1267 HydrophobicContact CG-CZ 3.84Å; F1256-F1267 HydrophobicContact CZ-CB 3.8Å; F1256-F1267 HydrophobicContact CZ-CD1 4.24Å; F1256-F1267 HydrophobicContact CZ-CD2 4.29Å; F1256-F1267 AromaticContact CZ-CG 3.86Å; F1256-F1267 HydrophobicContact CZ-CG 3.86Å; R1263-F1267 VanDerWaalsContact O-CB 3.24Å; R1263-F1267 WeakPolarHBondContact O-CB 3.37Å; R1263-F1267 PolarHBondContact O-N 3.44Å; L1264-F1267 WeakPolarHBondContact O-CB 3.41Å; L1264-F1267 PolarHBondContact O-N 3Å; L1264-F1267 VanDerWaalsContact O-N 3.14Å; S1265-F1267 VanDerWaalsContact C-N 3.31Å; S1265-F1267 PolarHBondContact O-N 2.82Å; F1267-Q1269 VanDerWaalsContact C-N 3.32Å; F1267-Q1269 PolarHBondContact O-N 3Å; F1267-K1270 PolarHBondContact O-N 3Å; F1267-N1271 WeakPolarHBondContact CD2-ND2 3.38Å; F1267-N1271 VanDerWaalsContact CE2-ND2 3.33Å; F1267-N1271 WeakPolarHBondContact CE2-ND2 3.25Å; F1267-N1271 PolarHBondContact O-N 3.48Å; F1267-N1271 PolarHBondContact O-ND2 3.43Å |
| 1268 | V | 89.7 | Confident | 86.2 | Confident | 11 Ų | 11 | 68.7 Ų | 68.7 | 7% | 0.067 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.5 | -44 | 173.9 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | V1167 L1180 L1264 S1265 K1270 N1271 R1272 L1275 L1277 | V1167-V1268 HydrophobicContact CG1-CG2 3.81Å; L1180-V1268 HydrophobicContact CD1-CG2 3.79Å; L1180-V1268 HydrophobicContact CD2-CG2 3.95Å; L1264-V1268 HydrophobicContact CD1-CG2 4.38Å; L1264-V1268 WeakPolarHBondContact O-CG2 3.42Å; L1264-V1268 PolarHBondContact O-N 3.47Å; S1265-V1268 PolarHBondContact O-N 3.3Å; V1268-K1270 VanDerWaalsContact C-N 3.32Å; V1268-K1270 PolarHBondContact O-N 3.03Å; V1268-N1271 CarbonylContact O-C 3.57Å; V1268-N1271 PolarHBondContact O-N 2.89Å; V1268-R1272 WeakPolarHBondContact O-CG 3.09Å; V1268-R1272 PolarHBondContact O-N 3.4Å; V1268-R1272 VanDerWaalsContact O-N 3.16Å; V1268-L1275 HydrophobicContact CB-CD1 4.45Å; V1268-L1275 HydrophobicContact CG1-CD1 3.95Å; V1268-L1277 HydrophobicContact CG1-CD1 4.03Å |
| 1269 | Q | 88.7 | Confident | 84.4 | Confident | 113 Ų | 113 | 73.7 Ų | 73.7 | 53% | 0.528 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.8 | -43.4 | 177.4 | -173.4 | 177.1 | 4.9 | 0 | 0 | 112 | S1265 L1266 F1267 R1272 | S1265-Q1269 WeakPolarHBondContact O-CB 3.49Å; S1265-Q1269 PolarHBondContact O-N 3.41Å; L1266-Q1269 PolarHBondContact O-N 3.12Å; F1267-Q1269 VanDerWaalsContact C-N 3.32Å; F1267-Q1269 PolarHBondContact O-N 3Å; Q1269-R1272 WeakPolarHBondContact O-CG 3.41Å |
| 1270 | K | 88.4 | Confident | 82.1 | Confident | 157 Ų | 157 | 78 Ų | 78 | 68% | 0.683 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -67.4 | -32.8 | 179.3 | -172.9 | 176.7 | -178.6 | 175.9 | 0 | 113.4 | L1266 F1267 V1268 | L1266-K1270 WeakPolarHBondContact O-CB 3.4Å; L1266-K1270 PolarHBondContact O-N 3.24Å; F1267-K1270 PolarHBondContact O-N 3Å; V1268-K1270 VanDerWaalsContact C-N 3.32Å; V1268-K1270 PolarHBondContact O-N 3.03Å |
| 1271 | N | 85.6 | Confident | 79.5 | Confident | 16 Ų | 16 | 82.3 Ų | 82.3 | 9% | 0.086 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | 19.8 | -178.2 | -63.6 | -100.5 | 0 | 0 | 0 | 112.8 | R1183 F1267 V1268 V1273 E1274 L1275 | R1183-N1271 PolarHBondContact NH1-OD1 2.91Å; F1267-N1271 WeakPolarHBondContact CD2-ND2 3.38Å; F1267-N1271 VanDerWaalsContact CE2-ND2 3.33Å; F1267-N1271 WeakPolarHBondContact CE2-ND2 3.25Å; F1267-N1271 PolarHBondContact O-N 3.48Å; F1267-N1271 PolarHBondContact O-ND2 3.43Å; V1268-N1271 CarbonylContact O-C 3.57Å; V1268-N1271 PolarHBondContact O-N 2.89Å; N1271-V1273 VanDerWaalsContact C-N 3.31Å; N1271-V1273 PolarHBondContact O-N 2.66Å; N1271-E1274 PolarHBondContact O-N 3.15Å; N1271-E1274 VanDerWaalsContact O-N 3.14Å; N1271-E1274 PolarHBondContact OD1-OE2 3.47Å; N1271-L1275 HydrophobicContact CB-CD1 4.31Å; N1271-L1275 HydrophobicContact CB-CG 4.42Å; N1271-L1275 WeakPolarHBondContact O-CG 3.18Å; N1271-L1275 PolarHBondContact O-N 3.38Å |
| 1272 | R | 83.9 | Confident | 77 | Confident | 131 Ų | 131 | 82 Ų | 82 | 49% | 0.494 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -40.4 | -175 | -91.2 | -176 | 163.4 | 161.5 | -0.1 | 114.7 | V1268 Q1269 G1276 L1277 | V1268-R1272 WeakPolarHBondContact O-CG 3.09Å; V1268-R1272 PolarHBondContact O-N 3.4Å; V1268-R1272 VanDerWaalsContact O-N 3.16Å; Q1269-R1272 WeakPolarHBondContact O-CG 3.41Å; R1272-G1276 PolarHBondContact O-N 3.49Å; R1272-L1277 HydrophobicContact CB-CB 4.28Å; R1272-L1277 HydrophobicContact CG-CB 4.09Å; R1272-L1277 HydrophobicContact CG-CD1 4.09Å; R1272-L1277 PolarHBondContact O-N 2.83Å |
| 1273 | V | 80.1 | Confident | 74.5 | Confident | 110 Ų | 110 | 80.9 Ų | 80.9 | 67% | 0.667 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -46.8 | 179.9 | 178.5 | 0 | 0 | 0 | 0 | 110.2 | N1271 L1275 G1276 T1278 | N1271-V1273 VanDerWaalsContact C-N 3.31Å; N1271-V1273 PolarHBondContact O-N 2.66Å; V1273-L1275 PolarHBondContact O-N 2.84Å; V1273-G1276 PolarHBondContact O-N 2.9Å; V1273-G1276 VanDerWaalsContact O-N 3.08Å; V1273-T1278 HydrophobicContact CB-CG2 4.48Å; V1273-T1278 HydrophobicContact CG2-CG2 3.97Å |
| 1274 | E | 77.2 | Confident | 71.8 | Confident | 100 Ų | 100 | 85.2 Ų | 85.2 | 47% | 0.467 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -28.5 | -175.7 | -60.5 | 161.1 | 122.5 | 0 | 0 | 112.1 | R1183 N1271 G1276 | R1183-E1274 IonicContact CZ-OE1 3.1Å; R1183-E1274 IonicContact CZ-OE2 3.84Å; R1183-E1274 VanDerWaalsContact CZ-OE2 3.27Å; R1183-E1274 IonicContact NH1-OE1 3.67Å; R1183-E1274 PolarHBondContact NH1-OE1 3.28Å; R1183-E1274 IonicContact NH1-OE2 3.79Å; R1183-E1274 PolarHBondContact NH1-OE2 3.08Å; R1183-E1274 IonicContact NH2-OE1 3.92Å; R1183-E1274 PolarHBondContact NH2-OE1 3.16Å; R1183-E1274 IonicContact NH2-OE2 3.56Å; N1271-E1274 PolarHBondContact O-N 3.15Å; N1271-E1274 VanDerWaalsContact O-N 3.14Å; N1271-E1274 PolarHBondContact OD1-OE2 3.47Å; E1274-G1276 PolarHBondContact O-N 3.2Å |
| 1275 | L | 77.5 | Confident | 69.1 | Low | 5 Ų | 5 | 93.8 Ų | 93.8 | 3% | 0.026 | 51% | 0.506 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -1.6 | 170.9 | -65.2 | 172.4 | 0 | 0 | 0 | 113.1 | R1176 C1179 L1180 V1268 N1271 V1273 L1277 | R1176-L1275 WeakPolarHBondContact CD-O 3.37Å; R1176-L1275 WeakPolarHBondContact CG-O 3.17Å; R1176-L1275 PolarHBondContact NE-O 2.87Å; C1179-L1275 HydrophobicContact CB-CD2 4.17Å; L1180-L1275 HydrophobicContact CB-CD2 3.9Å; L1180-L1275 HydrophobicContact CD1-CD1 4.34Å; V1268-L1275 HydrophobicContact CB-CD1 4.45Å; V1268-L1275 HydrophobicContact CG1-CD1 3.95Å; N1271-L1275 HydrophobicContact CB-CD1 4.31Å; N1271-L1275 HydrophobicContact CB-CG 4.42Å; N1271-L1275 WeakPolarHBondContact O-CG 3.18Å; N1271-L1275 PolarHBondContact O-N 3.38Å; V1273-L1275 PolarHBondContact O-N 2.84Å; L1275-L1277 VanDerWaalsContact C-N 3.34Å; L1275-L1277 HydrophobicContact CB-CD1 4.11Å; L1275-L1277 HydrophobicContact CB-CG 4.08Å; L1275-L1277 HydrophobicContact CD1-CD1 4.37Å; L1275-L1277 PolarHBondContact O-N 3.17Å |
| 1276 | G | 73.2 | Confident | 66.4 | Low | 33 Ų | 33 | 96 Ų | 96 | 34% | 0.34 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 34.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R1176 R1272 V1273 E1274 | R1176-G1276 PolarHBondContact NH2-O 3.26Å; R1272-G1276 PolarHBondContact O-N 3.49Å; V1273-G1276 PolarHBondContact O-N 2.9Å; V1273-G1276 VanDerWaalsContact O-N 3.08Å; E1274-G1276 PolarHBondContact O-N 3.2Å |
| 1277 | L | 71.8 | Confident | 64.1 | Low | 47 Ų | 47 | 97.2 Ų | 97.2 | 25% | 0.246 | 54% | 0.535 | C | S | . | . | trans | -94.9 | 6.3 | 179.7 | -66.8 | 174.9 | 0 | 0 | 0 | 113.5 | L1171 V1268 R1272 L1275 K1279 | L1171-L1277 HydrophobicContact CD2-CD1 3.89Å; L1171-L1277 HydrophobicContact CD2-CD2 4.08Å; L1171-L1277 HydrophobicContact CD2-CG 4.33Å; V1268-L1277 HydrophobicContact CG1-CD1 4.03Å; R1272-L1277 HydrophobicContact CB-CB 4.28Å; R1272-L1277 HydrophobicContact CG-CB 4.09Å; R1272-L1277 HydrophobicContact CG-CD1 4.09Å; R1272-L1277 PolarHBondContact O-N 2.83Å; L1275-L1277 VanDerWaalsContact C-N 3.34Å; L1275-L1277 HydrophobicContact CB-CD1 4.11Å; L1275-L1277 HydrophobicContact CB-CG 4.08Å; L1275-L1277 HydrophobicContact CD1-CD1 4.37Å; L1275-L1277 PolarHBondContact O-N 3.17Å; L1277-K1279 PolarHBondContact O-N 3.38Å | ||
| 1278 | T | 67.8 | Low | 61.8 | Low | 89 Ų | 89 | 103.4 Ų | 103.4 | 55% | 0.546 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -73 | 124.3 | 175.5 | 49 | 0 | 0 | 0 | 0 | 110.1 | V1273 S1280 | V1273-T1278 HydrophobicContact CB-CG2 4.48Å; V1273-T1278 HydrophobicContact CG2-CG2 3.97Å; T1278-S1280 PolarHBondContact O-N 3.25Å; T1278-S1280 VanDerWaalsContact O-N 3.17Å |
| 1279 | K | 56.2 | Low | 59.5 | Low | 199 Ų | 199 | 107.9 Ų | 107.9 | 87% | 0.865 | 61% | 0.607 | S | S | * | * | trans | -52.2 | 120.8 | 175.9 | -72.9 | -176.5 | 176.7 | -178 | 0 | 109.6 | L1277 Q1281 | L1277-K1279 PolarHBondContact O-N 3.38Å; K1279-Q1281 PolarHBondContact O-N 2.94Å; K1279-Q1281 VanDerWaalsContact O-N 3.09Å | ||
| 1280 | S | 46.6 | Very low | 57.1 | Low | 104 Ų | 104 | 108.2 Ų | 108.2 | 73% | 0.727 | 62% | 0.617 | S | S | * | * | trans | -58.4 | 111.7 | 164.1 | 50 | 0 | 0 | 0 | 0 | 107.7 | T1278 S1282 | T1278-S1280 PolarHBondContact O-N 3.25Å; T1278-S1280 VanDerWaalsContact O-N 3.17Å; S1280-S1282 PolarHBondContact O-N 2.8Å | ||
| 1281 | Q | 38.1 | Very low | 54.7 | Low | 197 Ų | 197 | 106.2 Ų | 106.2 | 92% | 0.921 | 62% | 0.622 | S | S | * | * | trans | -67.6 | 83.4 | 169.2 | -71.3 | -176.3 | -5.8 | 0 | 0 | 108.1 | K1279 S1283 | K1279-Q1281 PolarHBondContact O-N 2.94Å; K1279-Q1281 VanDerWaalsContact O-N 3.09Å; Q1281-S1283 PolarHBondContact O-N 2.82Å | ||
| 1282 | S | 38.9 | Very low | 52.3 | Low | 94 Ų | 94 | 112.8 Ų | 112.8 | 66% | 0.657 | 69% | 0.694 | S | S | * | * | trans | -76.6 | 97.1 | 167.5 | 54.2 | 0 | 0 | 0 | 0 | 108.1 | S1280 S1284 | S1280-S1282 PolarHBondContact O-N 2.8Å; S1282-S1284 PolarHBondContact O-N 3.46Å | ||
| 1283 | S | 38.6 | Very low | 50.7 | Low | 103 Ų | 103 | 111.9 Ų | 111.9 | 72% | 0.72 | 70% | 0.704 | S | S | * | * | trans | 14.2 | 78.1 | 142.6 | 60.2 | 0 | 0 | 0 | 0 | 116.2 | Q1281 Q1285 | Q1281-S1283 PolarHBondContact O-N 2.82Å; S1283-Q1285 VanDerWaalsContact C-N 3.27Å; S1283-Q1285 PolarHBondContact O-N 2.9Å; S1283-Q1285 VanDerWaalsContact O-N 3.17Å | ||
| 1284 | S | 37.7 | Very low | 49.1 | Very low | 116 Ų | 116 | 111.9 Ų | 111.9 | 81% | 0.811 | 71% | 0.706 | S | S | * | * | trans | -78.7 | 89.3 | 152.7 | 56.5 | 0 | 0 | 0 | 0 | 106.5 | S1282 S1286 | S1282-S1284 PolarHBondContact O-N 3.46Å; S1284-S1286 PolarHBondContact O-N 3.26Å | ||
| 1285 | Q | 37.2 | Very low | 47.6 | Very low | 179 Ų | 179 | 112.6 Ų | 112.6 | 84% | 0.836 | 72% | 0.719 | S | S | * | * | trans | -56.4 | 110.2 | 165.5 | -74.3 | 178.1 | -11.7 | 0 | 0 | 107.7 | S1283 | S1283-Q1285 VanDerWaalsContact C-N 3.27Å; S1283-Q1285 PolarHBondContact O-N 2.9Å; S1283-Q1285 VanDerWaalsContact O-N 3.17Å | ||
| 1286 | S | 34.9 | Very low | 45.8 | Very low | 94 Ų | 94 | 118.9 Ų | 118.9 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | trans | -61.1 | 126.2 | 164.2 | 46.5 | 0 | 0 | 0 | 0 | 108.5 | S1284 N1288 | S1284-S1286 PolarHBondContact O-N 3.26Å; S1286-N1288 PolarHBondContact O-N 3.28Å; S1286-N1288 VanDerWaalsContact O-N 3.14Å | ||
| 1287 | P | 43.8 | Very low | 44.1 | Very low | 126 Ų | 126 | 124.3 Ų | 124.3 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -69.5 | 115.1 | 174.2 | 27.7 | -29 | 0 | 0 | 0 | 108 | A1289 | P1287-A1289 PolarHBondContact O-N 3.27Š| ||
| 1288 | N | 41.4 | Very low | 42.3 | Very low | 147 Ų | 147 | 129.5 Ų | 129.5 | 79% | 0.786 | 82% | 0.822 | S | S | * | * | trans | -55.4 | 106.5 | 171.1 | -77.5 | -28.1 | 0 | 0 | 0 | 109.5 | S1286 V1290 | S1286-N1288 PolarHBondContact O-N 3.28Å; S1286-N1288 VanDerWaalsContact O-N 3.14Å; N1288-V1290 HydrophobicContact CB-CG2 4.45Å; N1288-V1290 PolarHBondContact O-N 3.44Å | ||
| 1289 | A | 42.7 | Very low | 40.5 | Very low | 105 Ų | 105 | 132.4 Ų | 132.4 | 87% | 0.868 | 84% | 0.842 | S | S | * | * | trans | -78.7 | 98.5 | 155.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | P1287 | P1287-A1289 PolarHBondContact O-N 3.27Š| ||
| 1290 | V | 37.7 | Very low | 39.2 | Very low | 121 Ų | 121 | 127.2 Ų | 127.2 | 73% | 0.733 | 84% | 0.84 | S | S | * | * | trans | -130.5 | 148.9 | 167.4 | 176.9 | 0 | 0 | 0 | 0 | 107.7 | N1288 | N1288-V1290 HydrophobicContact CB-CG2 4.45Å; N1288-V1290 PolarHBondContact O-N 3.44Å | ||
| 1291 | S | 38.4 | Very low | 38.6 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 80% | 0.797 | 85% | 0.849 | S | S | * | * | trans | 84.4 | 110.6 | -177.3 | 84.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1292 | G | 34.2 | Very low | 38.7 | Very low | 154 Ų | 154 | 123 Ų | 123 | 100% | 1.588 | 84% | 0.843 | S | S | * | * | cis | 109.9 | 0 | 45.4 | 0 | 0 | 0 | 0 | 0 | 106.5 |
Retrieved 1,292 of 1,292 residues in 925.1 ms
(Link to these results)