| 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 | 31.7 | Very low | 52.8 | Low | 222 Ų | 222 | 126.7 Ų | 126.7 | 100% | 1.094 | 65% | 0.648 | S | S | * | * | 0 | 127.5 | 0 | -71.4 | -168.9 | -176.9 | 0 | 0 | 105.8 | |||||
| 2 | N | 31.9 | Very low | 56.3 | Low | 167 Ų | 167 | 116.2 Ų | 116.2 | 89% | 0.893 | 59% | 0.594 | S | S | * | * | trans | 67.4 | 86 | -147.8 | -51.8 | 4.4 | 0 | 0 | 0 | 110 | ||||
| 3 | E | 35.9 | Very low | 59.3 | Low | 180 Ų | 180 | 107.2 Ų | 107.2 | 84% | 0.841 | 55% | 0.549 | S | S | * | . | trans | -115.2 | 137 | 159.5 | -77.4 | 178.5 | 171.5 | 0 | 0 | 106.1 | E5 | E3-E5 PolarHBondContact O-N 2.86Š| ||
| 4 | D | 36.6 | Very low | 61.9 | Low | 149 Ų | 149 | 99.8 Ų | 99.8 | 80% | 0.797 | 51% | 0.511 | S | S | * | . | trans | -69 | 124.5 | -155.9 | -55.6 | -71.7 | 0 | 0 | 0 | 115 | S6 | D4-S6 PolarHBondContact O-N 2.89Š| ||
| 5 | E | 39.4 | Very low | 63.9 | Low | 201 Ų | 201 | 93.3 Ų | 93.3 | 94% | 0.939 | 48% | 0.477 | S | S | * | . | trans | -72.8 | 65.1 | 158.9 | -73.2 | -168.2 | 140.6 | 0 | 0 | 110.4 | E3 | E3-E5 PolarHBondContact O-N 2.86Š| ||
| 6 | S | 42.4 | Very low | 65.5 | Low | 72 Ų | 72 | 88.6 Ų | 88.6 | 50% | 0.503 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 135.5 | 164.4 | 50.5 | 0 | 0 | 0 | 0 | 109.5 | D4 K8 | D4-S6 PolarHBondContact O-N 2.89Å; S6-K8 PolarHBondContact O-N 2.68Å |
| 7 | P | 52.3 | Low | 67 | Low | 66 Ų | 66 | 83.4 Ų | 83.4 | 43% | 0.429 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 124.5 | 177.7 | 25.1 | -32.8 | 0 | 0 | 0 | 109.2 | S9 I33 | P7-S9 PolarHBondContact O-N 3Å; P7-I33 HydrophobicContact CG-CG2 4.38Å |
| 8 | K | 60.6 | Low | 68.1 | Low | 192 Ų | 192 | 80.1 Ų | 80.1 | 84% | 0.835 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 123.1 | 178.4 | -68.3 | -177.1 | 179.4 | -179.7 | 0 | 109.5 | S6 K10 | S6-K8 PolarHBondContact O-N 2.68Å; K8-K10 PolarHBondContact O-N 3.08Å |
| 9 | S | 73.5 | Confident | 69.1 | Low | 50 Ų | 50 | 76.2 Ų | 76.2 | 35% | 0.35 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 126.2 | 168.7 | 52.7 | 0 | 0 | 0 | 0 | 109.8 | P7 | P7-S9 PolarHBondContact O-N 3Š|
| 10 | K | 85.5 | Confident | 70.1 | Confident | 56 Ų | 56 | 73.7 Ų | 73.7 | 24% | 0.243 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -86.5 | 132.5 | 169.8 | -67.2 | 177.3 | -174.2 | 160.7 | 0 | 108.5 | K8 P34 F65 I66 D102 I253 | K8-K10 PolarHBondContact O-N 3.08Å; K10-P34 HydrophobicContact CD-CB 4.49Å; K10-P34 HydrophobicContact CG-CB 4.44Å; K10-F65 HydrophobicContact CB-CD1 4.08Å; K10-F65 HydrophobicContact CB-CE1 4.29Å; K10-F65 HydrophobicContact CD-CE1 4.16Å; K10-I66 PolarHBondContact O-N 2.9Å; K10-I66 VanDerWaalsContact O-N 3.13Å; K10-D102 HydrophobicContact CB-CB 4.31Å; K10-I253 HydrophobicContact CD-CG2 3.9Å; K10-I253 PolarHBondContact NZ-O 3.18Å |
| 11 | D | 91 | Very high | 71.2 | Confident | 39 Ų | 39 | 70.2 Ų | 70.2 | 21% | 0.209 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 131.5 | 170.4 | -63.9 | -79.6 | 0 | 0 | 0 | 110.1 | I66 R83 F101 D102 V103 | D11-I66 WeakPolarHBondContact OD1-CB 3.31Å; D11-I66 VanDerWaalsContact OD1-CG2 3.25Å; D11-I66 WeakPolarHBondContact OD1-CG2 3.3Å; D11-R83 IonicContact OD1-NH1 2.66Å; D11-F101 HydrophobicContact CB-CB 4.39Å; D11-F101 HydrophobicContact CB-CD1 3.67Å; D11-F101 HydrophobicContact CB-CE1 4.5Å; D11-F101 HydrophobicContact CB-CG 4.47Å; D11-D102 PolarHBondContact O-N 3.48Å; D11-V103 PolarHBondContact O-N 3.1Å |
| 12 | I | 94.6 | Very high | 74 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 135.6 | -179.7 | -54.5 | -170.3 | 0 | 0 | 0 | 109 | I14 L29 F65 I66 I67 N68 V103 I105 I253 | I12-I14 HydrophobicContact CG2-CD1 4.39Å; I12-I14 HydrophobicContact CG2-CG1 3.88Å; I12-L29 HydrophobicContact CD1-CD1 3.92Å; I12-F65 HydrophobicContact CD1-CB 3.88Å; I12-F65 HydrophobicContact CD1-CD1 3.52Å; I12-F65 HydrophobicContact CD1-CE1 4.19Å; I12-F65 HydrophobicContact CD1-CG 3.8Å; I12-F65 HydrophobicContact CG1-CB 4.38Å; I12-F65 HydrophobicContact CG1-CD1 4.12Å; I12-I66 PolarHBondContact N-O 3.11Å; I12-I67 HydrophobicContact CB-CD1 4.04Å; I12-I67 HydrophobicContact CD1-CD1 4.17Å; I12-I67 HydrophobicContact CG1-CD1 4.41Å; I12-N68 PolarHBondContact O-N 2.71Å; I12-N68 PolarHBondContact O-ND2 3.25Å; I12-V103 WeakPolarHBondContact CA-O 3.44Å; I12-V103 HydrophobicContact CB-CB 4.46Å; I12-V103 HydrophobicContact CG1-CB 4.1Å; I12-V103 HydrophobicContact CG1-CG2 4.37Å; I12-V103 HydrophobicContact CG2-CB 4.22Å; I12-V103 HydrophobicContact CG2-CG1 4.42Å; I12-I105 HydrophobicContact CG2-CD1 3.9Å; I12-I105 HydrophobicContact CG2-CG1 4.21Å; I12-I253 HydrophobicContact CD1-CD1 3.93Å |
| 13 | F | 95.9 | Very high | 76.8 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 137.6 | 163.3 | 176.6 | -88.8 | 0 | 0 | 0 | 110.9 | N68 T70 L86 F94 V98 F101 V103 V104 I105 Y106 | F13-N68 CarbonylContact C-O 3.17Å; F13-N68 WeakPolarHBondContact CA-O 3.22Å; F13-T70 HydrophobicContact CE2-CG2 4.08Å; F13-T70 HydrophobicContact CZ-CG2 3.89Å; F13-L86 HydrophobicContact CD2-CD1 4.07Å; F13-L86 HydrophobicContact CE2-CD1 4.01Å; F13-F94 HydrophobicContact CE1-CZ 4.46Å; F13-F94 AromaticContact CE2-CE2 3.87Å; F13-F94 HydrophobicContact CE2-CE2 3.87Å; F13-F94 HydrophobicContact CE2-CZ 4.08Å; F13-F94 AromaticContact CZ-CE2 3.88Å; F13-F94 HydrophobicContact CZ-CE2 3.88Å; F13-F94 AromaticContact CZ-CZ 3.7Å; F13-F94 HydrophobicContact CZ-CZ 3.7Å; F13-V98 HydrophobicContact CD2-CG2 4.05Å; F13-V98 HydrophobicContact CE2-CG2 4.15Å; F13-V98 HydrophobicContact CG-CG2 4.4Å; F13-F101 HydrophobicContact CB-CD2 3.48Å; F13-F101 VanDerWaalsContact CB-CD2 3.48Å; F13-F101 HydrophobicContact CB-CE2 3.87Å; F13-F101 HydrophobicContact CB-CG 4.24Å; F13-F101 HydrophobicContact CD2-CD2 4.3Å; F13-F101 AromaticContact CD2-CE2 3.85Å; F13-F101 HydrophobicContact CD2-CE2 3.85Å; F13-F101 HydrophobicContact CG-CD2 4.27Å; F13-F101 HydrophobicContact CG-CE2 4.28Å; F13-V103 PolarHBondContact N-O 2.79Å; F13-V104 HydrophobicContact CD1-CG1 3.87Å; F13-I105 PolarHBondContact O-N 3Å; F13-Y106 HydrophobicContact CD1-CE2 4.01Å; F13-Y106 HydrophobicContact CE1-CD2 4.36Å; F13-Y106 AromaticContact CE1-CE2 3.53Å; F13-Y106 HydrophobicContact CE1-CE2 3.53Å; F13-Y106 AromaticContact CE1-CZ 3.65Å |
| 14 | I | 95.1 | Very high | 79.5 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.015 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 132.1 | 172.9 | -51.8 | -178.1 | 0 | 0 | 0 | 108.4 | I12 I17 I25 I67 N68 G69 T70 I105 | I12-I14 HydrophobicContact CG2-CD1 4.39Å; I12-I14 HydrophobicContact CG2-CG1 3.88Å; I14-I17 HydrophobicContact CB-CG2 3.62Å; I14-I17 HydrophobicContact CG2-CG2 3.87Å; I14-I17 VanDerWaalsContact O-CG2 3.26Å; I14-I17 WeakPolarHBondContact O-CG2 3.3Å; I14-I25 HydrophobicContact CD1-CG2 4.07Å; I14-I67 HydrophobicContact CD1-CG2 3.9Å; I14-I67 HydrophobicContact CG1-CG2 4.37Å; I14-N68 PolarHBondContact N-O 3.28Å; I14-G69 WeakPolarHBondContact O-CA 3.36Å; I14-T70 PolarHBondContact O-N 3.03Å; I14-I105 WeakPolarHBondContact CA-O 3.14Å; I14-I105 HydrophobicContact CD1-CD1 4.48Å; I14-I105 HydrophobicContact CG1-CB 4.29Å; I14-I105 HydrophobicContact CG1-CD1 4.22Å |
| 15 | S | 92.1 | Very high | 82.2 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.014 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -71.6 | 143.4 | 172.6 | 60.3 | 0 | 0 | 0 | 0 | 112.1 | I17 I105 Y106 D107 Q114 | S15-I17 PolarHBondContact O-N 2.71Å; S15-I105 PolarHBondContact N-O 2.98Å; S15-Y106 WeakPolarHBondContact OG-CA 3.36Å; S15-D107 PolarHBondContact OG-N 3.22Å; S15-Q114 PolarHBondContact OG-OE1 2.81Å |
| 16 | E | 90.1 | Very high | 84.8 | Confident | 18 Ų | 18 | 29.8 Ų | 29.8 | 8% | 0.084 | 16% | 0.157 | C | C | . | . | trans | 50 | 58 | 171.4 | -62.2 | -176.3 | -165.7 | 0 | 0 | 113.2 | D18 C19 T70 R72 N111 Q114 Y870 | E16-D18 PolarHBondContact O-N 3.35Å; E16-C19 HydrophobicContact CB-CB 4.08Å; E16-C19 WeakPolarHBondContact O-CB 3.26Å; E16-C19 PolarHBondContact O-N 3.03Å; E16-T70 CarbonylContact C-O 3.19Å; E16-T70 WeakPolarHBondContact CA-O 3.48Å; E16-T70 PolarHBondContact N-O 3.02Å; E16-T70 PolarHBondContact N-OG1 2.92Å; E16-T70 VanDerWaalsContact N-OG1 3.1Å; E16-R72 HydrophobicContact CB-CB 4.13Å; E16-R72 HydrophobicContact CG-CB 3.72Å; E16-R72 HydrophobicContact CG-CG 4.07Å; E16-R72 WeakPolarHBondContact OE2-CD 3.26Å; E16-N111 PolarHBondContact OE1-ND2 2.84Å; E16-Q114 VanDerWaalsContact CG-NE2 3.29Å; E16-Q114 PolarHBondContact OE1-NE2 2.95Å; E16-Y870 PolarHBondContact OE2-OH 3.1Å | ||
| 17 | I | 90.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -6.1 | -174.4 | 67.8 | 172.1 | 0 | 0 | 0 | 114.9 | I14 S15 K23 T70 L71 P79 A82 I85 | I14-I17 HydrophobicContact CB-CG2 3.62Å; I14-I17 HydrophobicContact CG2-CG2 3.87Å; I14-I17 VanDerWaalsContact O-CG2 3.26Å; I14-I17 WeakPolarHBondContact O-CG2 3.3Å; S15-I17 PolarHBondContact O-N 2.71Å; I17-K23 VanDerWaalsContact O-CA 3.27Å; I17-K23 WeakPolarHBondContact O-CA 3.49Å; I17-K23 WeakPolarHBondContact O-CB 3.35Å; I17-K23 PolarHBondContact O-N 3.37Å; I17-T70 PolarHBondContact N-O 3.29Å; I17-L71 HydrophobicContact CG1-CD2 3.98Å; I17-P79 HydrophobicContact CD1-CG 4.13Å; I17-P79 HydrophobicContact CG1-CG 4.1Å; I17-A82 HydrophobicContact CD1-CB 3.43Å; I17-A82 VanDerWaalsContact CD1-CB 3.43Å; I17-I85 HydrophobicContact CD1-CD1 3.57Å; I17-I85 HydrophobicContact CG1-CD1 4.23Å |
| 18 | D | 86.9 | Confident | 88.9 | Confident | 25 Ų | 25 | 25.8 Ų | 25.8 | 13% | 0.134 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -27.4 | 166.7 | 52.1 | -22.3 | 0 | 0 | 0 | 112.6 | E16 L71 R72 H73 S76 | E16-D18 PolarHBondContact O-N 3.35Å; D18-L71 HydrophobicContact CB-CD2 3.92Å; D18-R72 PolarHBondContact OD1-N 3.45Å; D18-R72 PolarHBondContact OD2-N 3.22Å; D18-H73 IonicContact OD2-CD2 3Å; D18-H73 PolarHBondContact OD2-N 2.9Å; D18-S76 WeakPolarHBondContact OD2-CB 3.16Å; D18-S76 PolarHBondContact OD2-OG 3.01Å |
| 19 | C | 87.5 | Confident | 90.4 | Very high | 6 Ų | 6 | 16.6 Ų | 16.6 | 4% | 0.041 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -79.1 | 153.8 | 179.2 | -63.4 | 0 | 0 | 0 | 0 | 112 | E16 V21 G22 K23 R72 | E16-C19 HydrophobicContact CB-CB 4.08Å; E16-C19 WeakPolarHBondContact O-CB 3.26Å; E16-C19 PolarHBondContact O-N 3.03Å; C19-V21 PolarHBondContact O-N 2.97Å; C19-V21 VanDerWaalsContact O-N 3.09Å; C19-G22 PolarHBondContact O-N 3.39Å; C19-K23 VanDerWaalsContact O-CB 3.25Å; C19-K23 WeakPolarHBondContact O-CB 3.32Å; C19-K23 PolarHBondContact O-N 2.78Å; C19-R72 WeakPolarHBondContact SG-CD 3.39Å |
| 20 | F | 88.9 | Confident | 91.2 | Very high | 25 Ų | 25 | 14.2 Ų | 14.2 | 11% | 0.11 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -43.2 | -49.8 | -170.9 | 176.7 | -88.1 | 0 | 0 | 0 | 115.9 | N24 F205 G207 Y211 I242 | F20-N24 WeakPolarHBondContact CE2-ND2 3.44Å; F20-N24 WeakPolarHBondContact O-CB 3.23Å; F20-N24 PolarHBondContact O-N 3.02Å; F20-N24 VanDerWaalsContact O-N 3.13Å; F20-N24 PolarHBondContact O-ND2 2.96Å; F20-F205 HydrophobicContact CE1-CB 4.15Å; F20-G207 WeakPolarHBondContact CE2-O 3.37Å; F20-G207 VanDerWaalsContact CZ-O 3.29Å; F20-G207 WeakPolarHBondContact CZ-O 2.97Å; F20-Y211 HydrophobicContact CB-CD2 3.62Å; F20-Y211 HydrophobicContact CB-CE2 3.89Å; F20-Y211 AromaticContact CD1-CD2 3.31Å; F20-Y211 HydrophobicContact CD1-CD2 3.31Å; F20-Y211 AromaticContact CD1-CE2 3.86Å; F20-Y211 HydrophobicContact CD1-CE2 3.86Å; F20-Y211 AromaticContact CD1-CG 3.7Å; F20-Y211 HydrophobicContact CD1-CG 3.7Å; F20-Y211 HydrophobicContact CD2-CD2 4.3Å; F20-Y211 HydrophobicContact CE1-CD2 4.05Å; F20-Y211 AromaticContact CE1-CG 3.96Å; F20-Y211 HydrophobicContact CE1-CG 3.96Å; F20-Y211 AromaticContact CG-CD2 3.48Å; F20-Y211 HydrophobicContact CG-CD2 3.48Å; F20-Y211 VanDerWaalsContact CG-CD2 3.48Å; F20-Y211 HydrophobicContact CG-CE2 4.14Å; F20-Y211 HydrophobicContact CG-CG 4.17Å; F20-I242 HydrophobicContact CD1-CG1 4.45Å; F20-I242 HydrophobicContact CE1-CB 3.87Å; F20-I242 HydrophobicContact CE1-CD1 4Å; F20-I242 HydrophobicContact CE1-CG1 3.68Å; F20-I242 HydrophobicContact CE1-CG2 4.26Å; F20-I242 HydrophobicContact CZ-CB 4Å; F20-I242 HydrophobicContact CZ-CG1 4.16Å; F20-I242 HydrophobicContact CZ-CG2 3.9Å |
| 21 | V | 91.8 | Very high | 91.3 | Very high | 2 Ų | 2 | 13.5 Ų | 13.5 | 1% | 0.012 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -71 | -49.2 | -174.9 | 178.7 | 0 | 0 | 0 | 0 | 110.7 | C19 I25 D107 F205 Y211 I242 | C19-V21 PolarHBondContact O-N 2.97Å; C19-V21 VanDerWaalsContact O-N 3.09Å; V21-I25 HydrophobicContact CG1-CD1 3.61Å; V21-I25 WeakPolarHBondContact O-CB 3.3Å; V21-I25 VanDerWaalsContact O-CG1 3.3Å; V21-I25 WeakPolarHBondContact O-CG1 3.32Å; V21-I25 PolarHBondContact O-N 3.49Å; V21-I25 VanDerWaalsContact O-N 3.09Å; V21-D107 HydrophobicContact CB-CB 4.39Å; V21-D107 VanDerWaalsContact CB-OD2 3.3Å; V21-D107 WeakPolarHBondContact CB-OD2 3.44Å; V21-D107 HydrophobicContact CG1-CB 4.02Å; V21-D107 VanDerWaalsContact CG2-OD2 3.31Å; V21-D107 WeakPolarHBondContact CG2-OD2 3.49Å; V21-F205 HydrophobicContact CG1-CE2 4.32Å; V21-F205 HydrophobicContact CG2-CD2 3.63Å; V21-F205 HydrophobicContact CG2-CE2 3.57Å; V21-Y211 HydrophobicContact CG2-CE2 4.05Å; V21-I242 HydrophobicContact CG1-CD1 4.27Å; V21-I242 HydrophobicContact CG2-CD1 4.46Å |
| 22 | G | 91.7 | Very high | 91.1 | Very high | 3 Ų | 3 | 13.1 Ų | 13.1 | 3% | 0.031 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.5 | -42.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | C19 G26 | C19-G22 PolarHBondContact O-N 3.39Å; G22-G26 PolarHBondContact O-N 3.36Å |
| 23 | K | 91 | Very high | 90.5 | Very high | 65 Ų | 65 | 16.6 Ų | 16.6 | 28% | 0.283 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -57.1 | -53.6 | 176 | -179.2 | -169 | 169.8 | -161.5 | 0 | 111.6 | I17 C19 K27 E348 | I17-K23 VanDerWaalsContact O-CA 3.27Å; I17-K23 WeakPolarHBondContact O-CA 3.49Å; I17-K23 WeakPolarHBondContact O-CB 3.35Å; I17-K23 PolarHBondContact O-N 3.37Å; C19-K23 VanDerWaalsContact O-CB 3.25Å; C19-K23 WeakPolarHBondContact O-CB 3.32Å; C19-K23 PolarHBondContact O-N 2.78Å; K23-K27 WeakPolarHBondContact O-CB 3.44Å; K23-K27 PolarHBondContact O-N 3.13Å; K23-E348 IonicContact NZ-OE1 3.92Å; K23-E348 PolarHBondContact NZ-OE1 3.46Å; K23-E348 IonicContact NZ-OE2 2.82Å |
| 24 | N | 92.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -72.3 | -41.2 | -174.2 | -77.6 | -49.9 | 0 | 0 | 0 | 112.8 | F20 Y28 I242 | F20-N24 WeakPolarHBondContact CE2-ND2 3.44Å; F20-N24 WeakPolarHBondContact O-CB 3.23Å; F20-N24 PolarHBondContact O-N 3.02Å; F20-N24 VanDerWaalsContact O-N 3.13Å; F20-N24 PolarHBondContact O-ND2 2.96Å; N24-Y28 WeakPolarHBondContact O-CB 3.37Å; N24-Y28 PolarHBondContact O-N 3.4Å; N24-I242 HydrophobicContact CB-CG1 3.58Å; N24-I242 HydrophobicContact CB-CG2 4.22Å |
| 25 | I | 93.9 | Very high | 88.7 | Confident | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.1 | -43.4 | 174.5 | -64.2 | 167.4 | 0 | 0 | 0 | 110.6 | I14 V21 Y28 L29 I105 I242 L245 A246 I249 | I14-I25 HydrophobicContact CD1-CG2 4.07Å; V21-I25 HydrophobicContact CG1-CD1 3.61Å; V21-I25 WeakPolarHBondContact O-CB 3.3Å; V21-I25 VanDerWaalsContact O-CG1 3.3Å; V21-I25 WeakPolarHBondContact O-CG1 3.32Å; V21-I25 PolarHBondContact O-N 3.49Å; V21-I25 VanDerWaalsContact O-N 3.09Å; I25-Y28 PolarHBondContact O-N 3.1Å; I25-L29 HydrophobicContact CG2-CD1 3.67Å; I25-L29 HydrophobicContact CG2-CG 4.28Å; I25-L29 WeakPolarHBondContact O-CB 3.19Å; I25-L29 WeakPolarHBondContact O-CG 3.17Å; I25-L29 PolarHBondContact O-N 3.07Å; I25-I105 HydrophobicContact CG2-CD1 4.38Å; I25-I242 HydrophobicContact CG1-CD1 4.45Å; I25-L245 HydrophobicContact CD1-CD2 3.99Å; I25-L245 HydrophobicContact CD1-CG 4.39Å; I25-A246 HydrophobicContact CG1-CB 4.28Å; I25-I249 HydrophobicContact CD1-CD1 3.76Å; I25-I249 HydrophobicContact CG1-CD1 4.36Å; I25-I249 HydrophobicContact CG2-CD1 4.14Å |
| 26 | G | 92.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.5 | -47.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G22 Y28 L29 A30 | G22-G26 PolarHBondContact O-N 3.36Å; G26-Y28 VanDerWaalsContact C-N 3.31Å; G26-Y28 PolarHBondContact O-N 2.81Å; G26-L29 PolarHBondContact O-N 2.77Å; G26-A30 VanDerWaalsContact O-CB 3.29Å; G26-A30 WeakPolarHBondContact O-CB 3.01Å; G26-A30 PolarHBondContact O-N 3.27Å |
| 27 | K | 90.4 | Very high | 85.9 | Confident | 26 Ų | 26 | 22.4 Ų | 22.4 | 11% | 0.113 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -55.2 | -45.3 | 175.2 | -177.5 | -177.2 | -177.5 | -179.5 | 0 | 111.3 | K23 W52 E53 G56 F81 | K23-K27 WeakPolarHBondContact O-CB 3.44Å; K23-K27 PolarHBondContact O-N 3.13Å; K27-W52 VanDerWaalsContact NZ-CE2 3.32Å; K27-W52 VanDerWaalsContact NZ-NE1 3.1Å; K27-E53 WeakPolarHBondContact CE-O 3.43Å; K27-E53 PolarHBondContact NZ-O 3.33Å; K27-G56 VanDerWaalsContact CE-CA 3.45Å; K27-F81 HydrophobicContact CB-CD1 4.19Å; K27-F81 HydrophobicContact CB-CE1 4.05Å |
| 28 | Y | 91.6 | Very high | 84.3 | Confident | 27 Ų | 27 | 24 Ų | 24 | 11% | 0.106 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.5 | -58.9 | 177.1 | 179.8 | -103.1 | 0 | 0 | 0 | 111.8 | N24 I25 G26 A30 T31 Q32 A246 R247 Q250 | N24-Y28 WeakPolarHBondContact O-CB 3.37Å; N24-Y28 PolarHBondContact O-N 3.4Å; I25-Y28 PolarHBondContact O-N 3.1Å; G26-Y28 VanDerWaalsContact C-N 3.31Å; G26-Y28 PolarHBondContact O-N 2.81Å; Y28-A30 VanDerWaalsContact C-N 3.26Å; Y28-A30 PolarHBondContact O-N 2.86Å; Y28-T31 WeakPolarHBondContact O-CB 3.37Å; Y28-T31 PolarHBondContact O-N 2.77Å; Y28-T31 PolarHBondContact O-OG1 3.03Å; Y28-Q32 HydrophobicContact CD1-CG 4.16Å; Y28-Q32 HydrophobicContact CE1-CG 3.73Å; Y28-Q32 HydrophobicContact CE2-CG 4.28Å; Y28-A246 HydrophobicContact CD1-CB 3.47Å; Y28-A246 VanDerWaalsContact CD1-CB 3.47Å; Y28-A246 HydrophobicContact CE1-CB 4.21Å; Y28-A246 HydrophobicContact CG-CB 3.84Å; Y28-R247 HydrophobicContact CE1-CG 4.18Å; Y28-R247 HydrophobicContact CE2-CG 4.49Å; Y28-R247 WeakPolarHBondContact OH-CG 3.45Å; Y28-Q250 HydrophobicContact CE1-CB 4.5Å; Y28-Q250 VanDerWaalsContact CE1-OE1 3.22Å; Y28-Q250 PolarHBondContact OH-OE1 2.95Å |
| 29 | L | 91.8 | Very high | 82.4 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.2 | -31.8 | -173.7 | -67.8 | 174.7 | 0 | 0 | 0 | 112.9 | I12 I25 G26 T31 Q32 F65 I67 I105 I249 Q250 | I12-L29 HydrophobicContact CD1-CD1 3.92Å; I25-L29 HydrophobicContact CG2-CD1 3.67Å; I25-L29 HydrophobicContact CG2-CG 4.28Å; I25-L29 WeakPolarHBondContact O-CB 3.19Å; I25-L29 WeakPolarHBondContact O-CG 3.17Å; I25-L29 PolarHBondContact O-N 3.07Å; G26-L29 PolarHBondContact O-N 2.77Å; L29-T31 PolarHBondContact O-N 2.81Å; L29-T31 VanDerWaalsContact O-N 3.09Å; L29-Q32 PolarHBondContact O-N 2.72Å; L29-F65 HydrophobicContact CB-CB 4.5Å; L29-F65 HydrophobicContact CB-CD2 4.4Å; L29-F65 HydrophobicContact CD2-CD2 4.34Å; L29-F65 HydrophobicContact CD2-CE2 4.37Å; L29-F65 WeakPolarHBondContact O-CD2 3.39Å; L29-I67 HydrophobicContact CB-CD1 3.74Å; L29-I105 HydrophobicContact CD1-CD1 4.24Å; L29-I249 HydrophobicContact CD1-CG2 4.06Å; L29-Q250 HydrophobicContact CD2-CB 4.06Å |
| 30 | A | 89.9 | Confident | 80.2 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -15.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | G26 Y28 C64 I67 F81 | G26-A30 VanDerWaalsContact O-CB 3.29Å; G26-A30 WeakPolarHBondContact O-CB 3.01Å; G26-A30 PolarHBondContact O-N 3.27Å; Y28-A30 VanDerWaalsContact C-N 3.26Å; Y28-A30 PolarHBondContact O-N 2.86Å; A30-C64 WeakPolarHBondContact O-CB 3.29Å; A30-I67 HydrophobicContact CB-CG1 3.87Å; A30-F81 HydrophobicContact CB-CB 3.8Å |
| 31 | T | 86.9 | Confident | 77.9 | Confident | 40 Ų | 40 | 39.7 Ų | 39.7 | 25% | 0.245 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -16.3 | 173.8 | 67.7 | 0 | 0 | 0 | 0 | 113.7 | Y28 L29 P57 C64 | Y28-T31 WeakPolarHBondContact O-CB 3.37Å; Y28-T31 PolarHBondContact O-N 2.77Å; Y28-T31 PolarHBondContact O-OG1 3.03Å; L29-T31 PolarHBondContact O-N 2.81Å; L29-T31 VanDerWaalsContact O-N 3.09Å; T31-P57 HydrophobicContact CG2-CG 4.02Å; T31-C64 PolarHBondContact O-SG 2.8Å |
| 32 | Q | 87.2 | Confident | 75.3 | Confident | 31 Ų | 31 | 48.6 Ų | 48.6 | 15% | 0.145 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -98 | 141 | -165.2 | -62 | -61.6 | -56 | 0 | 0 | 112.7 | Y28 L29 C64 F65 | Y28-Q32 HydrophobicContact CD1-CG 4.16Å; Y28-Q32 HydrophobicContact CE1-CG 3.73Å; Y28-Q32 HydrophobicContact CE2-CG 4.28Å; L29-Q32 PolarHBondContact O-N 2.72Å; Q32-C64 CarbonylContact O-C 3.43Å; Q32-C64 WeakPolarHBondContact O-CA 3.46Å; Q32-C64 VanDerWaalsContact O-CB 3.27Å; Q32-C64 WeakPolarHBondContact O-CB 3.29Å; Q32-F65 HydrophobicContact CB-CD2 3.86Å; Q32-F65 HydrophobicContact CB-CE2 3.88Å; Q32-F65 WeakPolarHBondContact O-CD2 3.2Å; Q32-F65 PolarHBondContact O-N 2.77Å |
| 33 | I | 83 | Confident | 72.4 | Confident | 73 Ų | 73 | 57.1 Ų | 57.1 | 37% | 0.374 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -90 | 126.3 | -179.8 | -63.2 | 172.8 | 0 | 0 | 0 | 110.2 | P7 G35 S36 | P7-I33 HydrophobicContact CG-CG2 4.38Å; I33-G35 PolarHBondContact O-N 3.49Å; I33-S36 PolarHBondContact O-N 2.84Å; I33-S36 PolarHBondContact O-OG 2.73Å |
| 34 | P | 80 | Confident | 69.6 | Low | 8 Ų | 8 | 58.8 Ų | 58.8 | 5% | 0.052 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 128.7 | 178.4 | -21 | 31.3 | 0 | 0 | 0 | 112.3 | K10 S36 N63 F65 | K10-P34 HydrophobicContact CD-CB 4.49Å; K10-P34 HydrophobicContact CG-CB 4.44Å; P34-S36 PolarHBondContact O-N 2.91Å; P34-N63 WeakPolarHBondContact CD-O 3.47Å; P34-F65 HydrophobicContact CB-CD1 4.3Å; P34-F65 HydrophobicContact CB-CE1 3.79Å; P34-F65 HydrophobicContact CB-CZ 4.01Å; P34-F65 HydrophobicContact CG-CD1 3.74Å; P34-F65 HydrophobicContact CG-CD2 4.46Å; P34-F65 HydrophobicContact CG-CE1 3.74Å; P34-F65 HydrophobicContact CG-CE2 4.46Å; P34-F65 HydrophobicContact CG-CG 4.13Å; P34-F65 HydrophobicContact CG-CZ 4.12Å |
| 35 | G | 73.4 | Confident | 66.6 | Low | 62 Ų | 62 | 63.5 Ų | 63.5 | 64% | 0.639 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | -1.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | I33 N254 | I33-G35 PolarHBondContact O-N 3.49Å; G35-N254 PolarHBondContact N-OD1 3.17Å |
| 36 | S | 66.1 | Low | 63.7 | Low | 35 Ų | 35 | 67.6 Ų | 67.6 | 25% | 0.245 | 38% | 0.376 | C | S | . | . | trans | -67.1 | 139 | 163.1 | 60.6 | 0 | 0 | 0 | 0 | 110 | I33 P34 N254 | I33-S36 PolarHBondContact O-N 2.84Å; I33-S36 PolarHBondContact O-OG 2.73Å; P34-S36 PolarHBondContact O-N 2.91Å; S36-N254 PolarHBondContact O-ND2 2.98Å | ||
| 37 | G | 56.5 | Low | 61 | Low | 40 Ų | 40 | 70.3 Ų | 70.3 | 41% | 0.412 | 39% | 0.391 | S | S | . | . | trans | -75.7 | 144.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | E39 D40 | G37-E39 PolarHBondContact O-N 3.4Å; G37-E39 VanDerWaalsContact O-N 3.1Å; G37-D40 PolarHBondContact O-N 2.88Å | ||
| 38 | I | 56.8 | Low | 58.4 | Low | 34 Ų | 34 | 74.5 Ų | 74.5 | 17% | 0.174 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -7.4 | -178.3 | -53.5 | 163.7 | 0 | 0 | 0 | 111.2 | F326 P327 | I38-F326 HydrophobicContact CD1-CB 3.67Å; I38-P327 HydrophobicContact CG2-CG 3.86Å |
| 39 | E | 46.8 | Very low | 55.5 | Low | 134 Ų | 134 | 82 Ų | 82 | 63% | 0.626 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -4.6 | -179.3 | -58.9 | -166.3 | 158.1 | 0 | 0 | 115.6 | G37 E41 | G37-E39 PolarHBondContact O-N 3.4Å; G37-E39 VanDerWaalsContact O-N 3.1Å; E39-E41 PolarHBondContact O-N 2.86Å; E39-E41 VanDerWaalsContact O-N 3.16Å |
| 40 | D | 41.9 | Very low | 52.9 | Low | 135 Ų | 135 | 88 Ų | 88 | 72% | 0.722 | 48% | 0.479 | S | S | * | . | trans | -75.8 | 2.3 | -174.2 | -80.3 | -39.2 | 0 | 0 | 0 | 114.1 | G37 K42 | G37-D40 PolarHBondContact O-N 2.88Å; D40-K42 PolarHBondContact O-N 3.22Å | ||
| 41 | E | 41.6 | Very low | 50.4 | Low | 116 Ų | 116 | 96.6 Ų | 96.6 | 54% | 0.542 | 52% | 0.517 | S | S | . | . | trans | -75.5 | 34.4 | 177.3 | -63.2 | -173.8 | 162.5 | 0 | 0 | 114.2 | E39 Q43 L47 | E39-E41 PolarHBondContact O-N 2.86Å; E39-E41 VanDerWaalsContact O-N 3.16Å; E41-Q43 PolarHBondContact O-N 3.1Å; E41-L47 HydrophobicContact CB-CD1 3.96Å; E41-L47 HydrophobicContact CG-CD1 3.86Å | ||
| 42 | K | 37.5 | Very low | 48.2 | Very low | 189 Ų | 189 | 97.3 Ų | 97.3 | 82% | 0.822 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | 23.7 | 174 | -80.7 | 178.6 | 179 | 156.6 | 0 | 114.3 | D40 | D40-K42 PolarHBondContact O-N 3.22Š|
| 43 | Q | 30.4 | Very low | 46.1 | Very low | 183 Ų | 183 | 101.5 Ų | 101.5 | 86% | 0.855 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.8 | -12.1 | 177.4 | -95.5 | -178 | -0.7 | 0 | 0 | 116.5 | E41 | E41-Q43 PolarHBondContact O-N 3.1Š|
| 44 | D | 30.9 | Very low | 44.1 | Very low | 99 Ų | 99 | 101.6 Ų | 101.6 | 53% | 0.529 | 54% | 0.54 | S | S | . | . | trans | -134.9 | 104.3 | 176.8 | -75.9 | -57.6 | 0 | 0 | 0 | 112.7 | D46 L47 | D44-D46 PolarHBondContact O-N 2.84Å; D44-D46 VanDerWaalsContact O-N 3.13Å; D44-L47 HydrophobicContact CB-CD1 3.77Å; D44-L47 HydrophobicContact CB-CG 3.94Å; D44-L47 PolarHBondContact O-N 2.63Å | ||
| 45 | A | 30.3 | Very low | 42.5 | Very low | 101 Ų | 101 | 103.4 Ų | 103.4 | 84% | 0.835 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 1.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 46 | D | 33 | Very low | 41.3 | Very low | 86 Ų | 86 | 100.7 Ų | 100.7 | 46% | 0.46 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -0.8 | 175 | -97.8 | -16.9 | 0 | 0 | 0 | 113.5 | D44 S48 R49 E50 | D44-D46 PolarHBondContact O-N 2.84Å; D44-D46 VanDerWaalsContact O-N 3.13Å; D46-S48 VanDerWaalsContact C-N 3.3Å; D46-S48 PolarHBondContact O-N 2.57Å; D46-R49 CarbonylContact O-C 3.6Å; D46-R49 VanDerWaalsContact O-CA 3.25Å; D46-R49 WeakPolarHBondContact O-CA 3.48Å; D46-R49 VanDerWaalsContact O-CB 3.25Å; D46-R49 WeakPolarHBondContact O-CB 2.99Å; D46-R49 PolarHBondContact O-N 2.92Å; D46-R49 WeakPolarHBondContact OD1-CD 3.47Å; D46-R49 IonicContact OD1-CZ 2.65Å; D46-R49 IonicContact OD1-NE 3.39Å; D46-R49 IonicContact OD1-NH1 3.66Å; D46-R49 PolarHBondContact OD1-NH1 3.22Å; D46-E50 PolarHBondContact O-N 3.08Å |
| 47 | L | 35.6 | Very low | 40.9 | Very low | 58 Ų | 58 | 99.8 Ų | 99.8 | 30% | 0.304 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -76.2 | -17.5 | 178.6 | -76.7 | 159.1 | 0 | 0 | 0 | 113.8 | E41 D44 R49 E50 | E41-L47 HydrophobicContact CB-CD1 3.96Å; E41-L47 HydrophobicContact CG-CD1 3.86Å; D44-L47 HydrophobicContact CB-CD1 3.77Å; D44-L47 HydrophobicContact CB-CG 3.94Å; D44-L47 PolarHBondContact O-N 2.63Å; L47-R49 PolarHBondContact O-N 2.94Å; L47-E50 HydrophobicContact CD2-CG 4.08Å |
| 48 | S | 34.7 | Very low | 40.8 | Very low | 114 Ų | 114 | 103 Ų | 103 | 80% | 0.797 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -70 | -5 | 160.3 | 62.7 | 0 | 0 | 0 | 0 | 113.4 | D46 | D46-S48 VanDerWaalsContact C-N 3.3Å; D46-S48 PolarHBondContact O-N 2.57Å |
| 49 | R | 32.4 | Very low | 41 | Very low | 184 Ų | 184 | 104.8 Ų | 104.8 | 69% | 0.694 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -119.7 | 4.4 | 178.4 | -69.1 | 161.7 | 156 | -174 | -2.2 | 114 | D46 L47 K51 | D46-R49 CarbonylContact O-C 3.6Å; D46-R49 VanDerWaalsContact O-CA 3.25Å; D46-R49 WeakPolarHBondContact O-CA 3.48Å; D46-R49 VanDerWaalsContact O-CB 3.25Å; D46-R49 WeakPolarHBondContact O-CB 2.99Å; D46-R49 PolarHBondContact O-N 2.92Å; D46-R49 WeakPolarHBondContact OD1-CD 3.47Å; D46-R49 IonicContact OD1-CZ 2.65Å; D46-R49 IonicContact OD1-NE 3.39Å; D46-R49 IonicContact OD1-NH1 3.66Å; D46-R49 PolarHBondContact OD1-NH1 3.22Å; L47-R49 PolarHBondContact O-N 2.94Å; R49-K51 PolarHBondContact O-N 3.36Å |
| 50 | E | 35.1 | Very low | 41.6 | Very low | 126 Ų | 126 | 101.4 Ų | 101.4 | 59% | 0.589 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -65.4 | 86.6 | 160.6 | -94.8 | -153.6 | 168.2 | 0 | 0 | 107.1 | D46 L47 W52 K61 | D46-E50 PolarHBondContact O-N 3.08Å; L47-E50 HydrophobicContact CD2-CG 4.08Å; E50-W52 PolarHBondContact O-N 3.03Å; E50-K61 IonicContact OE1-NZ 2.77Å; E50-K61 PolarHBondContact OE1-NZ 3.32Å; E50-K61 IonicContact OE2-NZ 2.75Å |
| 51 | K | 38.9 | Very low | 42.8 | Very low | 181 Ų | 181 | 99.4 Ų | 99.4 | 79% | 0.787 | 53% | 0.531 | S | S | * | . | trans | -50.7 | 133.5 | -179.4 | -78.2 | 178.9 | 175.5 | 172.7 | 0 | 109.4 | R49 E53 | R49-K51 PolarHBondContact O-N 3.36Å; K51-E53 PolarHBondContact O-N 3.32Å | ||
| 52 | W | 39.5 | Very low | 44.1 | Very low | 55 Ų | 55 | 104.9 Ų | 104.9 | 21% | 0.208 | 55% | 0.547 | C | S | . | . | trans | -52.8 | 110.3 | 170.4 | 171.5 | 98.5 | 0 | 0 | 0 | 108.6 | K27 E50 P54 E347 E348 | K27-W52 VanDerWaalsContact NZ-CE2 3.32Å; K27-W52 VanDerWaalsContact NZ-NE1 3.1Å; E50-W52 PolarHBondContact O-N 3.03Å; W52-P54 HydrophobicContact CE3-CG 4.39Å; W52-P54 HydrophobicContact CH2-CB 3.67Å; W52-P54 HydrophobicContact CH2-CG 4.01Å; W52-P54 HydrophobicContact CZ3-CB 3.81Å; W52-P54 HydrophobicContact CZ3-CG 3.59Å; W52-E347 HydrophobicContact CE3-CB 3.54Å; W52-E347 HydrophobicContact CZ3-CB 3.52Å; W52-E347 WeakPolarHBondContact CZ3-O 3.5Å; W52-E348 HydrophobicContact CH2-CB 4.08Å; W52-E348 HydrophobicContact CZ2-CB 4.03Å; W52-E348 HydrophobicContact CZ2-CG 4.4Å; W52-E348 WeakPolarHBondContact CZ2-OE2 3.41Å | ||
| 53 | E | 44.6 | Very low | 46 | Very low | 118 Ų | 118 | 100.2 Ų | 100.2 | 55% | 0.551 | 53% | 0.531 | S | S | * | . | trans | -83.5 | 128.6 | 179.7 | -73.1 | -164 | 148.8 | 0 | 0 | 109.8 | K27 K51 G55 G56 | K27-E53 WeakPolarHBondContact CE-O 3.43Å; K27-E53 PolarHBondContact NZ-O 3.33Å; K51-E53 PolarHBondContact O-N 3.32Å; E53-G55 PolarHBondContact O-N 2.98Å; E53-G56 PolarHBondContact O-N 2.65Å | ||
| 54 | P | 41.2 | Very low | 48.6 | Very low | 76 Ų | 76 | 92 Ų | 92 | 49% | 0.494 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -7.3 | -178 | -19.4 | 26.2 | 0 | 0 | 0 | 117.1 | W52 | W52-P54 HydrophobicContact CE3-CG 4.39Å; W52-P54 HydrophobicContact CH2-CB 3.67Å; W52-P54 HydrophobicContact CH2-CG 4.01Å; W52-P54 HydrophobicContact CZ3-CB 3.81Å; W52-P54 HydrophobicContact CZ3-CG 3.59Å |
| 55 | G | 44.5 | Very low | 51.3 | Low | 45 Ų | 45 | 87.3 Ų | 87.3 | 46% | 0.464 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -10.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | E53 P80 | E53-G55 PolarHBondContact O-N 2.98Å; G55-P80 VanDerWaalsContact O-CG 3.25Å; G55-P80 WeakPolarHBondContact O-CG 3.24Å |
| 56 | G | 49.2 | Very low | 54.2 | Low | 6 Ų | 6 | 84 Ų | 84 | 6% | 0.062 | 44% | 0.436 | C | S | . | . | trans | 67.8 | 179.8 | -159.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K27 E53 S58 | K27-G56 VanDerWaalsContact CE-CA 3.45Å; E53-G56 PolarHBondContact O-N 2.65Å; G56-S58 PolarHBondContact O-N 3.07Å | ||
| 57 | P | 57.5 | Low | 57.1 | Low | 16 Ų | 16 | 79.9 Ų | 79.9 | 10% | 0.104 | 42% | 0.415 | C | S | . | . | trans | -59.5 | 128.4 | -177.2 | 26.2 | -35.3 | 0 | 0 | 0 | 110.5 | T31 S59 F81 | T31-P57 HydrophobicContact CG2-CG 4.02Å; P57-S59 PolarHBondContact O-N 3.39Å; P57-F81 HydrophobicContact CG-CB 4.37Å | ||
| 58 | S | 55.1 | Low | 59.8 | Low | 107 Ų | 107 | 77.2 Ų | 77.2 | 75% | 0.748 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -61.5 | -14.7 | -176.4 | 57.6 | 0 | 0 | 0 | 0 | 114.8 | G56 | G56-S58 PolarHBondContact O-N 3.07Š|
| 59 | S | 59.9 | Low | 62.6 | Low | 72 Ų | 72 | 71.8 Ų | 71.8 | 50% | 0.503 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -157.1 | 157.5 | 170.4 | 53.9 | 0 | 0 | 0 | 0 | 110.5 | P57 K61 | P57-S59 PolarHBondContact O-N 3.39Å; S59-K61 PolarHBondContact O-N 2.69Å; S59-K61 VanDerWaalsContact O-N 3.17Å |
| 60 | P | 60.6 | Low | 65.5 | Low | 63 Ų | 63 | 63.6 Ų | 63.6 | 41% | 0.409 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 119.3 | 175.4 | -25.8 | 34.8 | 0 | 0 | 0 | 111.8 | ||
| 61 | K | 66.9 | Low | 68 | Low | 92 Ų | 92 | 59.6 Ų | 59.6 | 40% | 0.4 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 138.7 | 175.2 | -75.7 | -176.4 | 177.9 | -178.9 | 0 | 108.3 | E50 S59 C64 | E50-K61 IonicContact OE1-NZ 2.77Å; E50-K61 PolarHBondContact OE1-NZ 3.32Å; E50-K61 IonicContact OE2-NZ 2.75Å; S59-K61 PolarHBondContact O-N 2.69Å; S59-K61 VanDerWaalsContact O-N 3.17Å; K61-C64 HydrophobicContact CB-CB 4.36Å; K61-C64 WeakPolarHBondContact CB-SG 3.37Å; K61-C64 WeakPolarHBondContact O-CB 3.45Å; K61-C64 PolarHBondContact O-N 3.43Å |
| 62 | R | 67.9 | Low | 70.1 | Confident | 232 Ų | 232 | 53.6 Ų | 53.6 | 88% | 0.875 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 141.5 | -178.6 | -73.1 | -175.9 | -180 | 172.6 | 1 | 110.2 | C64 | R62-C64 PolarHBondContact O-N 3.21Š|
| 63 | N | 77.1 | Confident | 72 | Confident | 91 Ų | 91 | 54.7 Ų | 54.7 | 49% | 0.487 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 9 | -178.2 | -51.5 | -13.2 | 0 | 0 | 0 | 115.7 | P34 | P34-N63 WeakPolarHBondContact CD-O 3.47Š|
| 64 | C | 84.8 | Confident | 73.5 | Confident | 9 Ų | 9 | 54.3 Ų | 54.3 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -84.3 | 175.9 | 172.9 | -61.4 | 0 | 0 | 0 | 0 | 112.4 | A30 T31 Q32 K61 R62 | A30-C64 WeakPolarHBondContact O-CB 3.29Å; T31-C64 PolarHBondContact O-SG 2.8Å; Q32-C64 CarbonylContact O-C 3.43Å; Q32-C64 WeakPolarHBondContact O-CA 3.46Å; Q32-C64 VanDerWaalsContact O-CB 3.27Å; Q32-C64 WeakPolarHBondContact O-CB 3.29Å; K61-C64 HydrophobicContact CB-CB 4.36Å; K61-C64 WeakPolarHBondContact CB-SG 3.37Å; K61-C64 WeakPolarHBondContact O-CB 3.45Å; K61-C64 PolarHBondContact O-N 3.43Å; R62-C64 PolarHBondContact O-N 3.21Å |
| 65 | F | 88.8 | Confident | 75.2 | Confident | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.009 | 32% | 0.32 | C | S | . | . | trans | -61 | 139.7 | 170.6 | -64.8 | -79.7 | 0 | 0 | 0 | 111.2 | K10 I12 L29 Q32 P34 I67 Q250 I253 | K10-F65 HydrophobicContact CB-CD1 4.08Å; K10-F65 HydrophobicContact CB-CE1 4.29Å; K10-F65 HydrophobicContact CD-CE1 4.16Å; I12-F65 HydrophobicContact CD1-CB 3.88Å; I12-F65 HydrophobicContact CD1-CD1 3.52Å; I12-F65 HydrophobicContact CD1-CE1 4.19Å; I12-F65 HydrophobicContact CD1-CG 3.8Å; I12-F65 HydrophobicContact CG1-CB 4.38Å; I12-F65 HydrophobicContact CG1-CD1 4.12Å; L29-F65 HydrophobicContact CB-CB 4.5Å; L29-F65 HydrophobicContact CB-CD2 4.4Å; L29-F65 HydrophobicContact CD2-CD2 4.34Å; L29-F65 HydrophobicContact CD2-CE2 4.37Å; L29-F65 WeakPolarHBondContact O-CD2 3.39Å; Q32-F65 HydrophobicContact CB-CD2 3.86Å; Q32-F65 HydrophobicContact CB-CE2 3.88Å; Q32-F65 WeakPolarHBondContact O-CD2 3.2Å; Q32-F65 PolarHBondContact O-N 2.77Å; P34-F65 HydrophobicContact CB-CD1 4.3Å; P34-F65 HydrophobicContact CB-CE1 3.79Å; P34-F65 HydrophobicContact CB-CZ 4.01Å; P34-F65 HydrophobicContact CG-CD1 3.74Å; P34-F65 HydrophobicContact CG-CD2 4.46Å; P34-F65 HydrophobicContact CG-CE1 3.74Å; P34-F65 HydrophobicContact CG-CE2 4.46Å; P34-F65 HydrophobicContact CG-CG 4.13Å; P34-F65 HydrophobicContact CG-CZ 4.12Å; F65-I67 HydrophobicContact CB-CD1 4.06Å; F65-Q250 HydrophobicContact CE2-CG 4.49Å; F65-I253 HydrophobicContact CE1-CG2 3.66Å; F65-I253 HydrophobicContact CZ-CG2 4.01Å | ||
| 66 | I | 91.4 | Very high | 76.9 | Confident | 30 Ų | 30 | 57.3 Ų | 57.3 | 15% | 0.154 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 113.8 | 178.3 | -60.5 | 174.5 | 0 | 0 | 0 | 108.3 | K10 D11 I12 R83 | K10-I66 PolarHBondContact O-N 2.9Å; K10-I66 VanDerWaalsContact O-N 3.13Å; D11-I66 WeakPolarHBondContact OD1-CB 3.31Å; D11-I66 VanDerWaalsContact OD1-CG2 3.25Å; D11-I66 WeakPolarHBondContact OD1-CG2 3.3Å; I12-I66 PolarHBondContact N-O 3.11Å; I66-R83 HydrophobicContact CG2-CB 3.83Å; I66-R83 HydrophobicContact CG2-CG 4.14Å |
| 67 | I | 93 | Very high | 78.5 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 126.3 | -175.3 | -49.8 | -53 | 0 | 0 | 0 | 110.5 | I12 I14 L29 A30 F65 F81 R83 | I12-I67 HydrophobicContact CB-CD1 4.04Å; I12-I67 HydrophobicContact CD1-CD1 4.17Å; I12-I67 HydrophobicContact CG1-CD1 4.41Å; I14-I67 HydrophobicContact CD1-CG2 3.9Å; I14-I67 HydrophobicContact CG1-CG2 4.37Å; L29-I67 HydrophobicContact CB-CD1 3.74Å; A30-I67 HydrophobicContact CB-CG1 3.87Å; F65-I67 HydrophobicContact CB-CD1 4.06Å; I67-F81 HydrophobicContact CG2-CD2 4.37Å; I67-F81 HydrophobicContact CG2-CE2 4.39Å; I67-R83 PolarHBondContact O-N 2.9Å |
| 68 | N | 93.8 | Very high | 79.9 | Confident | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.011 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 161 | 172.8 | -50.3 | -83.1 | 0 | 0 | 0 | 108.3 | I12 F13 I14 D84 F101 | I12-N68 PolarHBondContact O-N 2.71Å; I12-N68 PolarHBondContact O-ND2 3.25Å; F13-N68 CarbonylContact C-O 3.17Å; F13-N68 WeakPolarHBondContact CA-O 3.22Å; I14-N68 PolarHBondContact N-O 3.28Å; N68-D84 WeakPolarHBondContact CA-O 3.41Å; N68-D84 PolarHBondContact OD1-N 2.84Å; N68-F101 HydrophobicContact CB-CE1 3.98Å; N68-F101 HydrophobicContact CB-CE2 4.42Å; N68-F101 HydrophobicContact CB-CZ 3.74Å; N68-F101 WeakPolarHBondContact ND2-CE1 3.49Å |
| 69 | G | 93.2 | Very high | 81.4 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.1 | -176.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | I14 D84 I85 L86 | I14-G69 WeakPolarHBondContact O-CA 3.36Å; G69-D84 PolarHBondContact N-O 2.78Å; G69-I85 CarbonylContact O-C 3.55Å; G69-I85 WeakPolarHBondContact O-CA 3.23Å; G69-L86 PolarHBondContact O-N 3.5Å |
| 70 | T | 91.8 | Very high | 82.7 | Confident | 12 Ų | 12 | 64 Ų | 64 | 7% | 0.074 | 33% | 0.328 | C | S | . | . | trans | -99.4 | 154.2 | 166.7 | 49.4 | 0 | 0 | 0 | 0 | 110.1 | F13 I14 E16 I17 L86 F94 | F13-T70 HydrophobicContact CE2-CG2 4.08Å; F13-T70 HydrophobicContact CZ-CG2 3.89Å; I14-T70 PolarHBondContact O-N 3.03Å; E16-T70 CarbonylContact C-O 3.19Å; E16-T70 WeakPolarHBondContact CA-O 3.48Å; E16-T70 PolarHBondContact N-O 3.02Å; E16-T70 PolarHBondContact N-OG1 2.92Å; E16-T70 VanDerWaalsContact N-OG1 3.1Å; I17-T70 PolarHBondContact N-O 3.29Å; T70-L86 HydrophobicContact CG2-CB 4.5Å; T70-F94 HydrophobicContact CG2-CD2 4.5Å; T70-F94 HydrophobicContact CG2-CE2 3.63Å; T70-F94 HydrophobicContact CG2-CZ 4.32Å | ||
| 71 | L | 88.8 | Confident | 84 | Confident | 41 Ų | 41 | 61.3 Ų | 61.3 | 22% | 0.215 | 31% | 0.31 | C | S | . | . | trans | -97.7 | 141.2 | 163.2 | -60.4 | 173.3 | 0 | 0 | 0 | 108.1 | I17 D18 S76 I85 | I17-L71 HydrophobicContact CG1-CD2 3.98Å; D18-L71 HydrophobicContact CB-CD2 3.92Å; L71-S76 WeakPolarHBondContact CD1-O 3.35Å; L71-I85 HydrophobicContact CD1-CD1 4.45Å; L71-I85 HydrophobicContact CD1-CG1 4.3Å; L71-I85 HydrophobicContact CD1-CG2 4.01Å; L71-I85 HydrophobicContact CD2-CD1 4.02Å; L71-I85 HydrophobicContact CG-CD1 4.03Å; L71-I85 HydrophobicContact CG-CG1 4.34Å; L71-I85 HydrophobicContact CG-CG2 3.81Å | ||
| 72 | R | 82.5 | Confident | 85.1 | Confident | 55 Ų | 55 | 57.1 Ų | 57.1 | 21% | 0.208 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -75.7 | -45.4 | 172.8 | -168.4 | -172.7 | 167.6 | -160.7 | -7.6 | 111.1 | E16 D18 C19 | E16-R72 HydrophobicContact CB-CB 4.13Å; E16-R72 HydrophobicContact CG-CB 3.72Å; E16-R72 HydrophobicContact CG-CG 4.07Å; E16-R72 WeakPolarHBondContact OE2-CD 3.26Å; D18-R72 PolarHBondContact OD1-N 3.45Å; D18-R72 PolarHBondContact OD2-N 3.22Å; C19-R72 WeakPolarHBondContact SG-CD 3.39Å |
| 73 | H | 80.5 | Confident | 86.2 | Confident | 78 Ų | 78 | 51.9 Ų | 51.9 | 36% | 0.361 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -99.5 | 121.5 | -180 | -54.4 | -71.8 | 0 | 0 | 0 | 108.6 | D18 D75 S76 | D18-H73 IonicContact OD2-CD2 3Å; D18-H73 PolarHBondContact OD2-N 2.9Å; H73-D75 PolarHBondContact O-N 3.46Å; H73-S76 VanDerWaalsContact O-CB 3.27Å; H73-S76 WeakPolarHBondContact O-CB 3.41Å; H73-S76 PolarHBondContact O-N 3.11Å |
| 74 | S | 74.2 | Confident | 86.7 | Confident | 110 Ų | 110 | 51 Ų | 51 | 77% | 0.769 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -27.4 | 177.4 | 50.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 75 | D | 78.6 | Confident | 87 | Confident | 150 Ų | 150 | 53.3 Ų | 53.3 | 80% | 0.802 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -4.4 | -173.3 | -54.9 | 3.3 | 0 | 0 | 0 | 111.6 | H73 | H73-D75 PolarHBondContact O-N 3.46Š|
| 76 | S | 78.7 | Confident | 87 | Confident | 35 Ų | 35 | 54.1 Ų | 54.1 | 25% | 0.245 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -64.9 | 135.5 | 173.8 | -78.3 | 0 | 0 | 0 | 0 | 111 | D18 L71 H73 K78 | D18-S76 WeakPolarHBondContact OD2-CB 3.16Å; D18-S76 PolarHBondContact OD2-OG 3.01Å; L71-S76 WeakPolarHBondContact CD1-O 3.35Å; H73-S76 VanDerWaalsContact O-CB 3.27Å; H73-S76 WeakPolarHBondContact O-CB 3.41Å; H73-S76 PolarHBondContact O-N 3.11Å; S76-K78 PolarHBondContact O-N 2.98Å |
| 77 | N | 83.2 | Confident | 86.6 | Confident | 154 Ų | 154 | 57.7 Ų | 57.7 | 82% | 0.824 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 134.8 | 168.1 | -72 | -55.7 | 0 | 0 | 0 | 110 | P79 | N77-P79 WeakPolarHBondContact O-CD 3.29Š|
| 78 | K | 87 | Confident | 86.1 | Confident | 106 Ų | 106 | 60.2 Ų | 60.2 | 46% | 0.461 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -51.8 | 122.4 | 170.3 | 172.6 | 179.2 | 176.9 | -172.1 | 0 | 110.4 | S76 A82 R83 I85 | S76-K78 PolarHBondContact O-N 2.98Å; K78-A82 WeakPolarHBondContact CE-O 3.48Å; K78-R83 WeakPolarHBondContact CE-O 3.49Å; K78-R83 PolarHBondContact NZ-O 3Å; K78-I85 HydrophobicContact CB-CG1 4.09Å; K78-I85 HydrophobicContact CD-CG1 3.98Å; K78-I85 HydrophobicContact CG-CD1 4.06Å; K78-I85 HydrophobicContact CG-CG1 3.73Å |
| 79 | P | 86.2 | Confident | 85.5 | Confident | 15 Ų | 15 | 67 Ų | 67 | 10% | 0.097 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 142.5 | 177 | -24.6 | 34 | 0 | 0 | 0 | 112.3 | I17 N77 F81 A82 | I17-P79 HydrophobicContact CD1-CG 4.13Å; I17-P79 HydrophobicContact CG1-CG 4.1Å; N77-P79 WeakPolarHBondContact O-CD 3.29Å; P79-F81 VanDerWaalsContact C-N 3.26Å; P79-F81 HydrophobicContact CB-CD1 3.93Å; P79-F81 HydrophobicContact CB-CD2 4.48Å; P79-F81 HydrophobicContact CB-CE1 3.45Å; P79-F81 VanDerWaalsContact CB-CE1 3.45Å; P79-F81 HydrophobicContact CB-CE2 4.04Å; P79-F81 HydrophobicContact CB-CG 4.42Å; P79-F81 HydrophobicContact CB-CZ 3.5Å; P79-F81 VanDerWaalsContact CB-CZ 3.5Å; P79-F81 HydrophobicContact CG-CE1 4.4Å; P79-F81 HydrophobicContact CG-CZ 4.09Å; P79-F81 PolarHBondContact O-N 3.26Å; P79-A82 HydrophobicContact CB-CB 4.36Å; P79-A82 WeakPolarHBondContact O-CB 3.17Å; P79-A82 PolarHBondContact O-N 3.24Å |
| 80 | P | 87.4 | Confident | 84.9 | Confident | 66 Ų | 66 | 69.6 Ų | 69.6 | 43% | 0.429 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -26.2 | -173 | 26.8 | -35.3 | 0 | 0 | 0 | 113.6 | G55 A82 | G55-P80 VanDerWaalsContact O-CG 3.25Å; G55-P80 WeakPolarHBondContact O-CG 3.24Å; P80-A82 VanDerWaalsContact C-N 3.31Å |
| 81 | F | 88.3 | Confident | 84.7 | Confident | 6 Ų | 6 | 74.6 Ų | 74.6 | 3% | 0.026 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -14.4 | 175.4 | 61.7 | -101.2 | 0 | 0 | 0 | 113.5 | K27 A30 P57 I67 P79 | K27-F81 HydrophobicContact CB-CD1 4.19Å; K27-F81 HydrophobicContact CB-CE1 4.05Å; A30-F81 HydrophobicContact CB-CB 3.8Å; P57-F81 HydrophobicContact CG-CB 4.37Å; I67-F81 HydrophobicContact CG2-CD2 4.37Å; I67-F81 HydrophobicContact CG2-CE2 4.39Å; P79-F81 VanDerWaalsContact C-N 3.26Å; P79-F81 HydrophobicContact CB-CD1 3.93Å; P79-F81 HydrophobicContact CB-CD2 4.48Å; P79-F81 HydrophobicContact CB-CE1 3.45Å; P79-F81 VanDerWaalsContact CB-CE1 3.45Å; P79-F81 HydrophobicContact CB-CE2 4.04Å; P79-F81 HydrophobicContact CB-CG 4.42Å; P79-F81 HydrophobicContact CB-CZ 3.5Å; P79-F81 VanDerWaalsContact CB-CZ 3.5Å; P79-F81 HydrophobicContact CG-CE1 4.4Å; P79-F81 HydrophobicContact CG-CZ 4.09Å; P79-F81 PolarHBondContact O-N 3.26Å |
| 82 | A | 89.9 | Confident | 84.5 | Confident | 4 Ų | 4 | 76.6 Ų | 76.6 | 3% | 0.033 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 128.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | I17 K78 P79 P80 I85 | I17-A82 HydrophobicContact CD1-CB 3.43Å; I17-A82 VanDerWaalsContact CD1-CB 3.43Å; K78-A82 WeakPolarHBondContact CE-O 3.48Å; P79-A82 HydrophobicContact CB-CB 4.36Å; P79-A82 WeakPolarHBondContact O-CB 3.17Å; P79-A82 PolarHBondContact O-N 3.24Å; P80-A82 VanDerWaalsContact C-N 3.31Å; A82-I85 HydrophobicContact CB-CD1 4.28Å |
| 83 | R | 90.1 | Very high | 84.8 | Confident | 123 Ų | 123 | 79.6 Ų | 79.6 | 46% | 0.464 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | -57.9 | 177.7 | 178.6 | -166.8 | 160.2 | 154.7 | 6.8 | 111.3 | D11 I66 I67 K78 | D11-R83 IonicContact OD1-NH1 2.66Å; I66-R83 HydrophobicContact CG2-CB 3.83Å; I66-R83 HydrophobicContact CG2-CG 4.14Å; I67-R83 PolarHBondContact O-N 2.9Å; K78-R83 WeakPolarHBondContact CE-O 3.49Å; K78-R83 PolarHBondContact NZ-O 3Å |
| 84 | D | 89 | Confident | 85.3 | Confident | 73 Ų | 73 | 76 Ų | 76 | 39% | 0.39 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 142.7 | -178 | -66.5 | -54.4 | 0 | 0 | 0 | 111 | N68 G69 | N68-D84 WeakPolarHBondContact CA-O 3.41Å; N68-D84 PolarHBondContact OD1-N 2.84Å; G69-D84 PolarHBondContact N-O 2.78Å |
| 85 | I | 90.8 | Very high | 86.1 | Confident | 56 Ų | 56 | 71.8 Ų | 71.8 | 29% | 0.287 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 128 | 171.5 | -58.5 | -57.8 | 0 | 0 | 0 | 107.6 | I17 G69 L71 K78 A82 | I17-I85 HydrophobicContact CD1-CD1 3.57Å; I17-I85 HydrophobicContact CG1-CD1 4.23Å; G69-I85 CarbonylContact O-C 3.55Å; G69-I85 WeakPolarHBondContact O-CA 3.23Å; L71-I85 HydrophobicContact CD1-CD1 4.45Å; L71-I85 HydrophobicContact CD1-CG1 4.3Å; L71-I85 HydrophobicContact CD1-CG2 4.01Å; L71-I85 HydrophobicContact CD2-CD1 4.02Å; L71-I85 HydrophobicContact CG-CD1 4.03Å; L71-I85 HydrophobicContact CG-CG1 4.34Å; L71-I85 HydrophobicContact CG-CG2 3.81Å; K78-I85 HydrophobicContact CB-CG1 4.09Å; K78-I85 HydrophobicContact CD-CG1 3.98Å; K78-I85 HydrophobicContact CG-CD1 4.06Å; K78-I85 HydrophobicContact CG-CG1 3.73Å; A82-I85 HydrophobicContact CB-CD1 4.28Å |
| 86 | L | 89.5 | Confident | 86.6 | Confident | 19 Ų | 19 | 70.5 Ų | 70.5 | 10% | 0.099 | 35% | 0.354 | C | S | . | . | trans | -95.8 | 141.7 | 175.7 | -60.2 | -174.6 | 0 | 0 | 0 | 110.9 | F13 G69 T70 F94 H97 V98 F101 | F13-L86 HydrophobicContact CD2-CD1 4.07Å; F13-L86 HydrophobicContact CE2-CD1 4.01Å; G69-L86 PolarHBondContact O-N 3.5Å; T70-L86 HydrophobicContact CG2-CB 4.5Å; L86-F94 HydrophobicContact CB-CD2 4.01Å; L86-F94 HydrophobicContact CB-CE2 4.15Å; L86-F94 HydrophobicContact CD1-CD2 4.28Å; L86-F94 HydrophobicContact CD1-CE2 4.26Å; L86-H97 HydrophobicContact CD1-CB 3.66Å; L86-H97 HydrophobicContact CD2-CB 3.77Å; L86-H97 HydrophobicContact CG-CB 4.41Å; L86-V98 HydrophobicContact CD1-CG2 3.91Å; L86-F101 HydrophobicContact CD1-CE2 3.74Å; L86-F101 HydrophobicContact CD1-CZ 4.01Å | ||
| 87 | D | 83.2 | Confident | 87.1 | Confident | 106 Ų | 106 | 73.1 Ų | 73.1 | 57% | 0.567 | 36% | 0.362 | S | S | * | . | trans | -89.5 | 132.3 | 169.5 | 178.5 | 7.9 | 0 | 0 | 0 | 109.3 | D89 | D87-D89 WeakPolarHBondContact OD1-CB 3.42Å; D87-D89 PolarHBondContact OD1-N 2.66Å | ||
| 88 | Y | 82.1 | Confident | 87.4 | Confident | 53 Ų | 53 | 65.8 Ų | 65.8 | 21% | 0.208 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -88 | -23 | -180 | -179.6 | -104.9 | 0 | 0 | 0 | 113.2 | D90 R91 F94 E117 W120 | Y88-D90 VanDerWaalsContact C-N 3.25Å; Y88-D90 CarbonylContact O-C 3.59Å; Y88-D90 PolarHBondContact O-N 3.26Å; Y88-R91 HydrophobicContact CE2-CG 4.31Å; Y88-R91 PolarHBondContact O-N 2.8Å; Y88-R91 VanDerWaalsContact OH-CZ 3.31Å; Y88-R91 PolarHBondContact OH-NE 3.07Å; Y88-R91 PolarHBondContact OH-NH2 3.33Å; Y88-F94 AromaticContact CD2-CD1 3.93Å; Y88-F94 HydrophobicContact CD2-CD1 3.93Å; Y88-F94 HydrophobicContact CD2-CD2 4.34Å; Y88-F94 AromaticContact CD2-CE1 3.96Å; Y88-F94 HydrophobicContact CD2-CE1 3.96Å; Y88-F94 HydrophobicContact CD2-CE2 4.4Å; Y88-F94 HydrophobicContact CD2-CG 4.12Å; Y88-F94 HydrophobicContact CD2-CZ 4.2Å; Y88-F94 HydrophobicContact CE2-CD1 4.24Å; Y88-F94 HydrophobicContact CE2-CE1 4.22Å; Y88-E117 HydrophobicContact CD2-CG 4.36Å; Y88-E117 HydrophobicContact CE2-CB 4.43Å; Y88-E117 HydrophobicContact CE2-CG 3.51Å; Y88-E117 WeakPolarHBondContact CE2-OE2 3.42Å; Y88-W120 HydrophobicContact CE2-CE3 4.49Å; Y88-W120 HydrophobicContact CE2-CZ3 4.03Å |
| 89 | D | 79.8 | Confident | 87.4 | Confident | 145 Ų | 145 | 62.6 Ų | 62.6 | 78% | 0.775 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -60 | -36.9 | -173.4 | -79.5 | -14.4 | 0 | 0 | 0 | 111.7 | D87 R91 | D87-D89 WeakPolarHBondContact OD1-CB 3.42Å; D87-D89 PolarHBondContact OD1-N 2.66Å; D89-R91 PolarHBondContact O-N 3.1Å |
| 90 | D | 82.5 | Confident | 87.6 | Confident | 54 Ų | 54 | 66.5 Ų | 66.5 | 29% | 0.289 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -89.2 | 79 | 166.8 | -166.1 | -29.7 | 0 | 0 | 0 | 111.5 | Y88 S92 K93 F94 | Y88-D90 VanDerWaalsContact C-N 3.25Å; Y88-D90 CarbonylContact O-C 3.59Å; Y88-D90 PolarHBondContact O-N 3.26Å; D90-S92 PolarHBondContact O-N 3.16Å; D90-S92 WeakPolarHBondContact OD1-CB 3.31Å; D90-S92 PolarHBondContact OD1-N 3.4Å; D90-S92 VanDerWaalsContact OD1-N 3.07Å; D90-K93 HydrophobicContact CB-CB 4.19Å; D90-K93 HydrophobicContact CB-CG 4.38Å; D90-K93 PolarHBondContact O-N 3.33Å; D90-K93 VanDerWaalsContact O-N 3.1Å; D90-K93 PolarHBondContact OD1-N 3.23Å; D90-K93 WeakPolarHBondContact OD2-CE 3.18Å; D90-K93 WeakPolarHBondContact OD2-CG 2.91Å; D90-K93 IonicContact OD2-NZ 3.9Å; D90-K93 PolarHBondContact OD2-NZ 3.38Å; D90-F94 WeakPolarHBondContact O-CB 3.31Å; D90-F94 PolarHBondContact O-N 3.22Å |
| 91 | R | 86.2 | Confident | 87.8 | Confident | 118 Ų | 118 | 64 Ų | 64 | 45% | 0.445 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -48.6 | -26.3 | 174.9 | -76.2 | -175.3 | 171.5 | 177.1 | -3.6 | 114.6 | Y88 D89 L95 W120 | Y88-R91 HydrophobicContact CE2-CG 4.31Å; Y88-R91 PolarHBondContact O-N 2.8Å; Y88-R91 VanDerWaalsContact OH-CZ 3.31Å; Y88-R91 PolarHBondContact OH-NE 3.07Å; Y88-R91 PolarHBondContact OH-NH2 3.33Å; D89-R91 PolarHBondContact O-N 3.1Å; R91-L95 VanDerWaalsContact O-CB 3.23Å; R91-L95 WeakPolarHBondContact O-CB 3.36Å; R91-L95 PolarHBondContact O-N 3.48Å; R91-W120 HydrophobicContact CB-CH2 3.88Å; R91-W120 HydrophobicContact CB-CZ2 3.94Å; R91-W120 HydrophobicContact CG-CH2 4.09Å; R91-W120 HydrophobicContact CG-CZ2 4.31Å; R91-W120 WeakPolarHBondContact O-CH2 3.49Å |
| 92 | S | 85.7 | Confident | 88 | Confident | 83 Ų | 83 | 65.5 Ų | 65.5 | 58% | 0.58 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -77 | -51.1 | 179.4 | -55.3 | 0 | 0 | 0 | 0 | 110.5 | D90 L95 E96 | D90-S92 PolarHBondContact O-N 3.16Å; D90-S92 WeakPolarHBondContact OD1-CB 3.31Å; D90-S92 PolarHBondContact OD1-N 3.4Å; D90-S92 VanDerWaalsContact OD1-N 3.07Å; S92-L95 PolarHBondContact O-N 2.87Å; S92-E96 WeakPolarHBondContact O-CG 3.32Å; S92-E96 PolarHBondContact O-N 2.7Å; S92-E96 VanDerWaalsContact O-N 3.09Å |
| 93 | K | 88.1 | Confident | 88.3 | Confident | 117 Ų | 117 | 65.4 Ų | 65.4 | 51% | 0.509 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63 | -42.5 | 174.1 | -69.3 | -167.9 | -164.1 | 93.3 | 0 | 111.6 | D90 L95 E96 H97 | D90-K93 HydrophobicContact CB-CB 4.19Å; D90-K93 HydrophobicContact CB-CG 4.38Å; D90-K93 PolarHBondContact O-N 3.33Å; D90-K93 VanDerWaalsContact O-N 3.1Å; D90-K93 PolarHBondContact OD1-N 3.23Å; D90-K93 WeakPolarHBondContact OD2-CE 3.18Å; D90-K93 WeakPolarHBondContact OD2-CG 2.91Å; D90-K93 IonicContact OD2-NZ 3.9Å; D90-K93 PolarHBondContact OD2-NZ 3.38Å; K93-L95 VanDerWaalsContact C-N 3.31Å; K93-L95 PolarHBondContact O-N 2.89Å; K93-E96 PolarHBondContact O-N 3.1Å; K93-H97 PolarHBondContact O-N 3.31Å; K93-H97 PolarHBondContact O-ND1 2.8Å |
| 94 | F | 91.3 | Very high | 88.6 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.009 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -53.5 | -50.7 | 177.5 | 179 | -102.3 | 0 | 0 | 0 | 111 | F13 T70 L86 Y88 D90 E96 H97 V98 Y106 W120 L121 | F13-F94 HydrophobicContact CE1-CZ 4.46Å; F13-F94 AromaticContact CE2-CE2 3.87Å; F13-F94 HydrophobicContact CE2-CE2 3.87Å; F13-F94 HydrophobicContact CE2-CZ 4.08Å; F13-F94 AromaticContact CZ-CE2 3.88Å; F13-F94 HydrophobicContact CZ-CE2 3.88Å; F13-F94 AromaticContact CZ-CZ 3.7Å; F13-F94 HydrophobicContact CZ-CZ 3.7Å; T70-F94 HydrophobicContact CG2-CD2 4.5Å; T70-F94 HydrophobicContact CG2-CE2 3.63Å; T70-F94 HydrophobicContact CG2-CZ 4.32Å; L86-F94 HydrophobicContact CB-CD2 4.01Å; L86-F94 HydrophobicContact CB-CE2 4.15Å; L86-F94 HydrophobicContact CD1-CD2 4.28Å; L86-F94 HydrophobicContact CD1-CE2 4.26Å; Y88-F94 AromaticContact CD2-CD1 3.93Å; Y88-F94 HydrophobicContact CD2-CD1 3.93Å; Y88-F94 HydrophobicContact CD2-CD2 4.34Å; Y88-F94 AromaticContact CD2-CE1 3.96Å; Y88-F94 HydrophobicContact CD2-CE1 3.96Å; Y88-F94 HydrophobicContact CD2-CE2 4.4Å; Y88-F94 HydrophobicContact CD2-CG 4.12Å; Y88-F94 HydrophobicContact CD2-CZ 4.2Å; Y88-F94 HydrophobicContact CE2-CD1 4.24Å; Y88-F94 HydrophobicContact CE2-CE1 4.22Å; D90-F94 WeakPolarHBondContact O-CB 3.31Å; D90-F94 PolarHBondContact O-N 3.22Å; F94-E96 PolarHBondContact O-N 3.05Å; F94-H97 PolarHBondContact O-N 2.93Å; F94-V98 HydrophobicContact CD1-CG2 4.33Å; F94-V98 HydrophobicContact CD2-CG2 4.36Å; F94-V98 HydrophobicContact CE1-CG2 3.94Å; F94-V98 HydrophobicContact CE2-CG2 3.94Å; F94-V98 HydrophobicContact CZ-CG2 3.73Å; F94-V98 WeakPolarHBondContact O-CG2 3.44Å; F94-V98 PolarHBondContact O-N 2.87Å; F94-Y106 WeakPolarHBondContact CZ-OH 3.49Å; F94-W120 HydrophobicContact CD1-CH2 4.19Å; F94-W120 AromaticContact CD1-CZ3 3.97Å; F94-W120 HydrophobicContact CD1-CZ3 3.97Å; F94-W120 HydrophobicContact CE1-CZ3 4.23Å; F94-L121 HydrophobicContact CE1-CD1 4.45Å; F94-L121 HydrophobicContact CE1-CD2 4.34Å |
| 95 | L | 90.6 | Very high | 89 | Confident | 22 Ų | 22 | 56.2 Ų | 56.2 | 12% | 0.115 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 177.9 | 177.8 | 61.8 | 0 | 0 | 0 | 112.5 | R91 S92 K93 H97 V98 E99 W120 L121 C124 | R91-L95 VanDerWaalsContact O-CB 3.23Å; R91-L95 WeakPolarHBondContact O-CB 3.36Å; R91-L95 PolarHBondContact O-N 3.48Å; S92-L95 PolarHBondContact O-N 2.87Å; K93-L95 VanDerWaalsContact C-N 3.31Å; K93-L95 PolarHBondContact O-N 2.89Å; L95-H97 VanDerWaalsContact C-N 3.34Å; L95-H97 PolarHBondContact O-N 2.62Å; L95-V98 PolarHBondContact O-N 3.24Å; L95-E99 HydrophobicContact CD1-CG 4.34Å; L95-E99 WeakPolarHBondContact CD1-OE1 3.39Å; L95-E99 WeakPolarHBondContact CG-OE1 3.39Å; L95-E99 WeakPolarHBondContact O-CB 3.29Å; L95-E99 VanDerWaalsContact O-CG 3.26Å; L95-E99 WeakPolarHBondContact O-CG 3.42Å; L95-E99 PolarHBondContact O-N 2.89Å; L95-W120 HydrophobicContact CB-CH2 4.14Å; L95-W120 HydrophobicContact CB-CZ2 4.49Å; L95-W120 HydrophobicContact CD2-CZ2 4.45Å; L95-L121 HydrophobicContact CD1-CD1 3.74Å; L95-C124 HydrophobicContact CD1-CB 3.73Å; L95-C124 HydrophobicContact CD2-CB 3.95Å |
| 96 | E | 88.6 | Confident | 89.2 | Confident | 124 Ų | 124 | 53.5 Ų | 53.5 | 58% | 0.579 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -60.5 | -39.3 | 175.3 | -73.7 | 176 | 176.2 | 0 | 0 | 112.8 | S92 K93 F94 | S92-E96 WeakPolarHBondContact O-CG 3.32Å; S92-E96 PolarHBondContact O-N 2.7Å; S92-E96 VanDerWaalsContact O-N 3.09Å; K93-E96 PolarHBondContact O-N 3.1Å; F94-E96 PolarHBondContact O-N 3.05Å |
| 97 | H | 88.8 | Confident | 89.4 | Confident | 90 Ų | 90 | 53.2 Ų | 53.2 | 42% | 0.417 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -71.6 | -47.2 | 175.9 | -69.1 | 78.5 | 0 | 0 | 0 | 111.4 | L86 K93 F94 L95 E99 T100 | L86-H97 HydrophobicContact CD1-CB 3.66Å; L86-H97 HydrophobicContact CD2-CB 3.77Å; L86-H97 HydrophobicContact CG-CB 4.41Å; K93-H97 PolarHBondContact O-N 3.31Å; K93-H97 PolarHBondContact O-ND1 2.8Å; F94-H97 PolarHBondContact O-N 2.93Å; L95-H97 VanDerWaalsContact C-N 3.34Å; L95-H97 PolarHBondContact O-N 2.62Å; H97-E99 PolarHBondContact O-N 3.33Å; H97-T100 WeakPolarHBondContact O-CB 3.29Å; H97-T100 PolarHBondContact O-N 3.21Å; H97-T100 PolarHBondContact O-OG1 2.65Å |
| 98 | V | 89.9 | Confident | 89.9 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.6 | -23.3 | -179.5 | 178 | 0 | 0 | 0 | 0 | 112.7 | F13 L86 F94 L95 T100 F101 V104 L121 K136 | F13-V98 HydrophobicContact CD2-CG2 4.05Å; F13-V98 HydrophobicContact CE2-CG2 4.15Å; F13-V98 HydrophobicContact CG-CG2 4.4Å; L86-V98 HydrophobicContact CD1-CG2 3.91Å; F94-V98 HydrophobicContact CD1-CG2 4.33Å; F94-V98 HydrophobicContact CD2-CG2 4.36Å; F94-V98 HydrophobicContact CE1-CG2 3.94Å; F94-V98 HydrophobicContact CE2-CG2 3.94Å; F94-V98 HydrophobicContact CZ-CG2 3.73Å; F94-V98 WeakPolarHBondContact O-CG2 3.44Å; F94-V98 PolarHBondContact O-N 2.87Å; L95-V98 PolarHBondContact O-N 3.24Å; V98-T100 VanDerWaalsContact C-N 3.25Å; V98-T100 PolarHBondContact O-N 3.35Å; V98-F101 HydrophobicContact CB-CD2 4.41Å; V98-F101 HydrophobicContact CG2-CD2 4.44Å; V98-F101 HydrophobicContact CG2-CE2 4.19Å; V98-V104 HydrophobicContact CG1-CG1 4.23Å; V98-V104 HydrophobicContact CG1-CG2 3.89Å; V98-L121 HydrophobicContact CB-CD1 4.4Å; V98-L121 HydrophobicContact CG1-CD1 4.01Å; V98-L121 HydrophobicContact CG1-CD2 4Å; V98-K136 PolarHBondContact O-NZ 3.49Å |
| 99 | E | 88.3 | Confident | 90.3 | Very high | 39 Ų | 39 | 45.9 Ų | 45.9 | 18% | 0.182 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -22.7 | 170.5 | -83.3 | 164.8 | -155.6 | 0 | 0 | 114.3 | L95 H97 L125 K128 F132 K136 | L95-E99 HydrophobicContact CD1-CG 4.34Å; L95-E99 WeakPolarHBondContact CD1-OE1 3.39Å; L95-E99 WeakPolarHBondContact CG-OE1 3.39Å; L95-E99 WeakPolarHBondContact O-CB 3.29Å; L95-E99 VanDerWaalsContact O-CG 3.26Å; L95-E99 WeakPolarHBondContact O-CG 3.42Å; L95-E99 PolarHBondContact O-N 2.89Å; H97-E99 PolarHBondContact O-N 3.33Å; E99-L125 HydrophobicContact CG-CD2 3.86Å; E99-K128 WeakPolarHBondContact OE1-CD 3.35Å; E99-K128 VanDerWaalsContact OE1-CE 3.3Å; E99-K128 WeakPolarHBondContact OE1-CE 3.37Å; E99-K128 IonicContact OE1-NZ 2.88Å; E99-K128 PolarHBondContact OE1-NZ 2.72Å; E99-K128 WeakPolarHBondContact OE2-CD 3.3Å; E99-K128 IonicContact OE2-NZ 3.78Å; E99-K128 PolarHBondContact OE2-NZ 3.26Å; E99-F132 HydrophobicContact CG-CE1 4.38Å; E99-K136 PolarHBondContact O-NZ 3.28Å |
| 100 | T | 89.7 | Confident | 90.1 | Very high | 96 Ų | 96 | 39.4 Ų | 39.4 | 59% | 0.589 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -32.1 | 179 | 68.7 | 0 | 0 | 0 | 0 | 114.1 | H97 V98 | H97-T100 WeakPolarHBondContact O-CB 3.29Å; H97-T100 PolarHBondContact O-N 3.21Å; H97-T100 PolarHBondContact O-OG1 2.65Å; V98-T100 VanDerWaalsContact C-N 3.25Å; V98-T100 PolarHBondContact O-N 3.35Å |
| 101 | F | 92.4 | Very high | 90 | Very high | 13 Ų | 13 | 37 Ų | 37 | 6% | 0.057 | 19% | 0.185 | C | C | . | . | trans | -73.3 | 147.7 | -172.1 | -50.1 | -50.2 | 0 | 0 | 0 | 114.1 | D11 F13 N68 L86 V98 K136 | D11-F101 HydrophobicContact CB-CB 4.39Å; D11-F101 HydrophobicContact CB-CD1 3.67Å; D11-F101 HydrophobicContact CB-CE1 4.5Å; D11-F101 HydrophobicContact CB-CG 4.47Å; F13-F101 HydrophobicContact CB-CD2 3.48Å; F13-F101 VanDerWaalsContact CB-CD2 3.48Å; F13-F101 HydrophobicContact CB-CE2 3.87Å; F13-F101 HydrophobicContact CB-CG 4.24Å; F13-F101 HydrophobicContact CD2-CD2 4.3Å; F13-F101 AromaticContact CD2-CE2 3.85Å; F13-F101 HydrophobicContact CD2-CE2 3.85Å; F13-F101 HydrophobicContact CG-CD2 4.27Å; F13-F101 HydrophobicContact CG-CE2 4.28Å; N68-F101 HydrophobicContact CB-CE1 3.98Å; N68-F101 HydrophobicContact CB-CE2 4.42Å; N68-F101 HydrophobicContact CB-CZ 3.74Å; N68-F101 WeakPolarHBondContact ND2-CE1 3.49Å; L86-F101 HydrophobicContact CD1-CE2 3.74Å; L86-F101 HydrophobicContact CD1-CZ 4.01Å; V98-F101 HydrophobicContact CB-CD2 4.41Å; V98-F101 HydrophobicContact CG2-CD2 4.44Å; V98-F101 HydrophobicContact CG2-CE2 4.19Å; F101-K136 PolarHBondContact O-NZ 3.05Å | ||
| 102 | D | 92.8 | Very high | 89.8 | Confident | 38 Ų | 38 | 33.3 Ų | 33.3 | 20% | 0.203 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -77.3 | -33.5 | 178.2 | -72 | -60.8 | 0 | 0 | 0 | 112.5 | K10 D11 S134 K136 I137 | K10-D102 HydrophobicContact CB-CB 4.31Å; D11-D102 PolarHBondContact O-N 3.48Å; D102-S134 WeakPolarHBondContact OD1-CB 3.37Å; D102-S134 PolarHBondContact OD1-OG 3.33Å; D102-K136 WeakPolarHBondContact O-CA 3.4Å; D102-I137 PolarHBondContact O-N 3.28Å |
| 103 | V | 95.2 | Very high | 89.7 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 138.3 | -177.1 | -170.2 | 0 | 0 | 0 | 0 | 110.4 | D11 I12 F13 I105 I137 I139 I253 | D11-V103 PolarHBondContact O-N 3.1Å; I12-V103 WeakPolarHBondContact CA-O 3.44Å; I12-V103 HydrophobicContact CB-CB 4.46Å; I12-V103 HydrophobicContact CG1-CB 4.1Å; I12-V103 HydrophobicContact CG1-CG2 4.37Å; I12-V103 HydrophobicContact CG2-CB 4.22Å; I12-V103 HydrophobicContact CG2-CG1 4.42Å; F13-V103 PolarHBondContact N-O 2.79Å; V103-I105 HydrophobicContact CG1-CD1 4.42Å; V103-I105 HydrophobicContact CG1-CG1 4.02Å; V103-I137 CarbonylContact C-O 3.49Å; V103-I137 WeakPolarHBondContact CA-O 3.41Å; V103-I137 HydrophobicContact CG1-CB 4.45Å; V103-I137 HydrophobicContact CG2-CB 4.49Å; V103-I139 HydrophobicContact CG1-CD1 4.26Å; V103-I253 HydrophobicContact CG1-CD1 3.98Å; V103-I253 HydrophobicContact CG1-CG1 4.07Å; V103-I253 HydrophobicContact CG2-CD1 4.22Å; V103-I253 HydrophobicContact CG2-CG1 4.02Å; V103-I253 HydrophobicContact CG2-CG2 4.12Å |
| 104 | V | 96.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 119.9 | 178 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | F13 V98 Y106 L121 L125 K136 I137 F138 I139 | F13-V104 HydrophobicContact CD1-CG1 3.87Å; V98-V104 HydrophobicContact CG1-CG1 4.23Å; V98-V104 HydrophobicContact CG1-CG2 3.89Å; V104-Y106 HydrophobicContact CG1-CD2 3.83Å; V104-Y106 HydrophobicContact CG1-CE2 3.63Å; V104-L121 HydrophobicContact CG1-CD2 4.25Å; V104-L125 HydrophobicContact CG2-CD1 4.44Å; V104-K136 HydrophobicContact CG2-CD 4.32Å; V104-I137 PolarHBondContact N-O 3.27Å; V104-F138 HydrophobicContact CB-CD2 3.86Å; V104-F138 HydrophobicContact CB-CE2 4.36Å; V104-F138 HydrophobicContact CG1-CD2 3.73Å; V104-F138 HydrophobicContact CG1-CE2 3.72Å; V104-F138 CarbonylContact O-C 3.55Å; V104-F138 WeakPolarHBondContact O-CA 3.46Å; V104-I139 PolarHBondContact O-N 2.99Å |
| 105 | I | 97 | Very high | 89.8 | Confident | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.015 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 127.4 | -177.2 | -51.1 | -178.6 | 0 | 0 | 0 | 108.7 | I12 F13 I14 S15 I25 L29 V103 I139 V141 I249 | I12-I105 HydrophobicContact CG2-CD1 3.9Å; I12-I105 HydrophobicContact CG2-CG1 4.21Å; F13-I105 PolarHBondContact O-N 3Å; I14-I105 WeakPolarHBondContact CA-O 3.14Å; I14-I105 HydrophobicContact CD1-CD1 4.48Å; I14-I105 HydrophobicContact CG1-CB 4.29Å; I14-I105 HydrophobicContact CG1-CD1 4.22Å; S15-I105 PolarHBondContact N-O 2.98Å; I25-I105 HydrophobicContact CG2-CD1 4.38Å; L29-I105 HydrophobicContact CD1-CD1 4.24Å; V103-I105 HydrophobicContact CG1-CD1 4.42Å; V103-I105 HydrophobicContact CG1-CG1 4.02Å; I105-I139 WeakPolarHBondContact CA-O 3.22Å; I105-I139 HydrophobicContact CG1-CB 4.41Å; I105-V141 HydrophobicContact CG2-CG2 4.24Å; I105-I249 HydrophobicContact CD1-CG2 3.74Å |
| 106 | Y | 96.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 138.3 | 175.2 | -89.4 | -97.3 | 0 | 0 | 0 | 110.9 | F13 S15 F94 V104 Q114 E117 V118 L121 F138 I139 V141 | F13-Y106 HydrophobicContact CD1-CE2 4.01Å; F13-Y106 HydrophobicContact CE1-CD2 4.36Å; F13-Y106 AromaticContact CE1-CE2 3.53Å; F13-Y106 HydrophobicContact CE1-CE2 3.53Å; F13-Y106 AromaticContact CE1-CZ 3.65Å; S15-Y106 WeakPolarHBondContact OG-CA 3.36Å; F94-Y106 WeakPolarHBondContact CZ-OH 3.49Å; V104-Y106 HydrophobicContact CG1-CD2 3.83Å; V104-Y106 HydrophobicContact CG1-CE2 3.63Å; Y106-Q114 VanDerWaalsContact CD1-OE1 3.3Å; Y106-E117 HydrophobicContact CE1-CG 4.16Å; Y106-E117 VanDerWaalsContact CE1-OE1 3.29Å; Y106-E117 WeakPolarHBondContact CE1-OE1 3.27Å; Y106-E117 PolarHBondContact OH-OE1 2.99Å; Y106-V118 HydrophobicContact CD1-CG2 3.3Å; Y106-V118 HydrophobicContact CE1-CG2 4.05Å; Y106-V118 HydrophobicContact CG-CG2 3.59Å; Y106-L121 HydrophobicContact CD2-CD2 4.48Å; Y106-L121 HydrophobicContact CE2-CD2 3.39Å; Y106-L121 WeakPolarHBondContact OH-CD2 3.22Å; Y106-F138 AromaticContact CD2-CE2 3.92Å; Y106-F138 HydrophobicContact CD2-CE2 3.92Å; Y106-F138 AromaticContact CD2-CZ 3.8Å; Y106-F138 HydrophobicContact CD2-CZ 3.8Å; Y106-F138 HydrophobicContact CE2-CE2 4.25Å; Y106-F138 HydrophobicContact CE2-CZ 4.47Å; Y106-F138 HydrophobicContact CG-CZ 4.32Å; Y106-I139 PolarHBondContact N-O 2.93Å; Y106-V141 PolarHBondContact O-N 3.16Å |
| 107 | D | 93.8 | Very high | 90 | Very high | 12 Ų | 12 | 31.7 Ų | 31.7 | 6% | 0.064 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 115.2 | 174.3 | 176.7 | 34.9 | 0 | 0 | 0 | 111.6 | S15 V21 T109 Q114 V141 | S15-D107 PolarHBondContact OG-N 3.22Å; V21-D107 HydrophobicContact CB-CB 4.39Å; V21-D107 VanDerWaalsContact CB-OD2 3.3Å; V21-D107 WeakPolarHBondContact CB-OD2 3.44Å; V21-D107 HydrophobicContact CG1-CB 4.02Å; V21-D107 VanDerWaalsContact CG2-OD2 3.31Å; V21-D107 WeakPolarHBondContact CG2-OD2 3.49Å; D107-T109 VanDerWaalsContact CG-OG1 3.27Å; D107-T109 VanDerWaalsContact OD1-CB 3.24Å; D107-T109 WeakPolarHBondContact OD1-CB 3.35Å; D107-T109 WeakPolarHBondContact OD1-CG2 3.37Å; D107-T109 PolarHBondContact OD1-N 3.36Å; D107-T109 PolarHBondContact OD1-OG1 2.72Å; D107-T109 PolarHBondContact OD2-OG1 3.44Å; D107-T109 VanDerWaalsContact OD2-OG1 3.12Å; D107-Q114 PolarHBondContact O-NE2 2.76Å; D107-Q114 PolarHBondContact O-OE1 2.94Å; D107-V141 HydrophobicContact CB-CB 4.37Å |
| 108 | I | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -110.2 | 12.3 | 173.9 | 66.9 | 165.7 | 0 | 0 | 0 | 112.4 | I110 Q114 I115 V118 L140 V141 Y177 C180 | I108-I110 VanDerWaalsContact C-N 3.29Å; I108-I110 PolarHBondContact O-N 2.87Å; I108-Q114 HydrophobicContact CG2-CB 3.96Å; I108-I115 HydrophobicContact CB-CG1 4.36Å; I108-I115 HydrophobicContact CD1-CD1 4.47Å; I108-I115 HydrophobicContact CD1-CG1 4.1Å; I108-I115 HydrophobicContact CG2-CG1 4.25Å; I108-V118 HydrophobicContact CG2-CG2 3.99Å; I108-L140 HydrophobicContact CD1-CD1 4.04Å; I108-L140 HydrophobicContact CD1-CD2 4.09Å; I108-L140 HydrophobicContact CD1-CG 4.38Å; I108-L140 HydrophobicContact CG1-CD1 3.88Å; I108-L140 HydrophobicContact CG1-CG 4.41Å; I108-L140 HydrophobicContact CG2-CD1 3.94Å; I108-V141 WeakPolarHBondContact CG1-O 3.43Å; I108-V141 PolarHBondContact N-O 2.97Å; I108-Y177 HydrophobicContact CD1-CD1 4.32Å; I108-Y177 WeakPolarHBondContact O-CE1 3.35Å; I108-C180 HydrophobicContact CD1-CB 4.38Å | ||
| 109 | T | 89.7 | Confident | 90.5 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -60.4 | -33.9 | -169.4 | 49.8 | 0 | 0 | 0 | 0 | 114.3 | D107 V141 T142 N143 F205 Y211 | D107-T109 VanDerWaalsContact CG-OG1 3.27Å; D107-T109 VanDerWaalsContact OD1-CB 3.24Å; D107-T109 WeakPolarHBondContact OD1-CB 3.35Å; D107-T109 WeakPolarHBondContact OD1-CG2 3.37Å; D107-T109 PolarHBondContact OD1-N 3.36Å; D107-T109 PolarHBondContact OD1-OG1 2.72Å; D107-T109 PolarHBondContact OD2-OG1 3.44Å; D107-T109 VanDerWaalsContact OD2-OG1 3.12Å; T109-V141 HydrophobicContact CG2-CG1 3.93Å; T109-T142 VanDerWaalsContact CG2-C 3.42Å; T109-N143 HydrophobicContact CG2-CB 4.37Å; T109-N143 PolarHBondContact O-ND2 3.22Å; T109-F205 HydrophobicContact CG2-CE2 3.78Å; T109-F205 HydrophobicContact CG2-CZ 3.93Å; T109-Y211 PolarHBondContact OG1-OH 3.37Å; T109-Y211 VanDerWaalsContact OG1-OH 3.05Å |
| 110 | I | 77.1 | Confident | 90.8 | Very high | 9 Ų | 9 | 31.1 Ų | 31.1 | 5% | 0.046 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -120.4 | -31.8 | 169.6 | -56.1 | 179.2 | 0 | 0 | 0 | 112 | I108 P112 Y177 Y211 L212 Y870 | I108-I110 VanDerWaalsContact C-N 3.29Å; I108-I110 PolarHBondContact O-N 2.87Å; I110-P112 WeakPolarHBondContact O-CD 3.18Å; I110-Y177 PolarHBondContact O-OH 3.13Å; I110-Y211 HydrophobicContact CD1-CD1 4.36Å; I110-Y211 HydrophobicContact CD1-CE1 3.51Å; I110-Y211 HydrophobicContact CD1-CE2 3.94Å; I110-Y211 VanDerWaalsContact CD1-OH 3.26Å; I110-Y211 WeakPolarHBondContact CD1-OH 3.21Å; I110-Y211 HydrophobicContact CG1-CE1 4.07Å; I110-Y211 VanDerWaalsContact CG1-OH 3.3Å; I110-Y211 WeakPolarHBondContact CG1-OH 3.33Å; I110-L212 HydrophobicContact CD1-CD1 4.23Å; I110-L212 HydrophobicContact CD1-CD2 3.64Å; I110-L212 HydrophobicContact CD1-CG 3.91Å; I110-Y870 HydrophobicContact CB-CD2 4.15Å; I110-Y870 HydrophobicContact CB-CE2 3.71Å; I110-Y870 HydrophobicContact CG2-CD2 3.45Å; I110-Y870 VanDerWaalsContact CG2-CD2 3.45Å; I110-Y870 HydrophobicContact CG2-CE2 3.53Å |
| 111 | N | 80.3 | Confident | 91 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | trans | -80.5 | 107.7 | 179.8 | -159.8 | -7 | 0 | 0 | 0 | 113.1 | E16 E113 Q114 Y870 | E16-N111 PolarHBondContact OE1-ND2 2.84Å; N111-E113 VanDerWaalsContact C-N 3.33Å; N111-E113 VanDerWaalsContact OD1-CB 3.3Å; N111-E113 WeakPolarHBondContact OD1-CB 3.48Å; N111-E113 PolarHBondContact OD1-N 2.81Å; N111-Q114 HydrophobicContact CB-CG 4.5Å; N111-Y870 HydrophobicContact CB-CD1 3.74Å; N111-Y870 HydrophobicContact CB-CE1 3.23Å; N111-Y870 HydrophobicContact CB-CE2 4.31Å; N111-Y870 VanDerWaalsContact ND2-CE1 3.3Å; N111-Y870 WeakPolarHBondContact ND2-CE1 3.34Å; N111-Y870 WeakPolarHBondContact OD1-CD1 3.13Å | ||
| 112 | P | 82 | Confident | 91.1 | Very high | 40 Ų | 40 | 26 Ų | 26 | 26% | 0.26 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -74.1 | -22.6 | 169.9 | 33.8 | -36.9 | 0 | 0 | 0 | 112.9 | I110 Q114 I115 Y177 | I110-P112 WeakPolarHBondContact O-CD 3.18Å; P112-Q114 VanDerWaalsContact C-N 3.27Å; P112-Q114 PolarHBondContact O-N 2.83Å; P112-I115 HydrophobicContact CB-CD1 4.33Å; P112-I115 VanDerWaalsContact O-CB 3.25Å; P112-I115 WeakPolarHBondContact O-CB 3.33Å; P112-I115 VanDerWaalsContact O-CG1 3.3Å; P112-I115 WeakPolarHBondContact O-CG1 3.42Å; P112-I115 PolarHBondContact O-N 2.91Å; P112-Y177 HydrophobicContact CB-CE2 4.25Å |
| 113 | E | 83.3 | Confident | 91.1 | Very high | 111 Ų | 111 | 28.5 Ų | 28.5 | 52% | 0.519 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -31.1 | -173.1 | -56.5 | -168.2 | 130.5 | 0 | 0 | 112 | N111 I115 | N111-E113 VanDerWaalsContact C-N 3.33Å; N111-E113 VanDerWaalsContact OD1-CB 3.3Å; N111-E113 WeakPolarHBondContact OD1-CB 3.48Å; N111-E113 PolarHBondContact OD1-N 2.81Å; E113-I115 PolarHBondContact O-N 3Å |
| 114 | Q | 88.2 | Confident | 91 | Very high | 10 Ų | 10 | 29.4 Ų | 29.4 | 5% | 0.047 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64 | -17.1 | 172.5 | -79.9 | -169.2 | 32.6 | 0 | 0 | 114.2 | S15 E16 Y106 D107 I108 N111 P112 E116 E117 V118 | S15-Q114 PolarHBondContact OG-OE1 2.81Å; E16-Q114 VanDerWaalsContact CG-NE2 3.29Å; E16-Q114 PolarHBondContact OE1-NE2 2.95Å; Y106-Q114 VanDerWaalsContact CD1-OE1 3.3Å; D107-Q114 PolarHBondContact O-NE2 2.76Å; D107-Q114 PolarHBondContact O-OE1 2.94Å; I108-Q114 HydrophobicContact CG2-CB 3.96Å; N111-Q114 HydrophobicContact CB-CG 4.5Å; P112-Q114 VanDerWaalsContact C-N 3.27Å; P112-Q114 PolarHBondContact O-N 2.83Å; Q114-E116 VanDerWaalsContact C-N 3.28Å; Q114-E116 PolarHBondContact O-N 3.47Å; Q114-E117 PolarHBondContact O-N 3.39Å; Q114-E117 VanDerWaalsContact O-N 3.14Å; Q114-V118 WeakPolarHBondContact O-CB 3.22Å; Q114-V118 VanDerWaalsContact O-CG2 3.3Å; Q114-V118 WeakPolarHBondContact O-CG2 3.23Å; Q114-V118 PolarHBondContact O-N 3.01Å |
| 115 | I | 92.6 | Very high | 90.9 | Very high | 13 Ų | 13 | 29.4 Ų | 29.4 | 7% | 0.067 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.5 | -39.1 | -175.9 | -67.4 | 172.9 | 0 | 0 | 0 | 111.3 | I108 P112 E113 L119 E176 Y177 C180 | I108-I115 HydrophobicContact CB-CG1 4.36Å; I108-I115 HydrophobicContact CD1-CD1 4.47Å; I108-I115 HydrophobicContact CD1-CG1 4.1Å; I108-I115 HydrophobicContact CG2-CG1 4.25Å; P112-I115 HydrophobicContact CB-CD1 4.33Å; P112-I115 VanDerWaalsContact O-CB 3.25Å; P112-I115 WeakPolarHBondContact O-CB 3.33Å; P112-I115 VanDerWaalsContact O-CG1 3.3Å; P112-I115 WeakPolarHBondContact O-CG1 3.42Å; P112-I115 PolarHBondContact O-N 2.91Å; E113-I115 PolarHBondContact O-N 3Å; I115-L119 HydrophobicContact CG2-CD1 3.98Å; I115-L119 WeakPolarHBondContact O-CB 3.43Å; I115-L119 VanDerWaalsContact O-CG 3.25Å; I115-L119 WeakPolarHBondContact O-CG 3.43Å; I115-L119 PolarHBondContact O-N 3.01Å; I115-L119 VanDerWaalsContact O-N 3.13Å; I115-E176 HydrophobicContact CD1-CB 4.12Å; I115-Y177 HydrophobicContact CD1-CD2 3.89Å; I115-Y177 HydrophobicContact CD1-CE2 4.01Å; I115-Y177 HydrophobicContact CD1-CG 4.36Å; I115-C180 HydrophobicContact CG2-CB 3.91Å |
| 116 | E | 91.3 | Very high | 90.7 | Very high | 155 Ų | 155 | 30 Ų | 30 | 72% | 0.724 | 15% | 0.146 | S | C | * | . | H | α-helix | trans | -65.3 | -42.4 | 176.3 | -66.5 | -164.5 | 173.1 | 0 | 0 | 112 | Q114 W120 | Q114-E116 VanDerWaalsContact C-N 3.28Å; Q114-E116 PolarHBondContact O-N 3.47Å; E116-W120 WeakPolarHBondContact O-CB 3.43Å; E116-W120 PolarHBondContact O-N 3.23Å |
| 117 | E | 91.7 | Very high | 90.5 | Very high | 25 Ų | 25 | 36.2 Ų | 36.2 | 12% | 0.117 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.3 | -48.9 | 178.2 | -178.9 | 179.9 | 150.7 | 0 | 0 | 111.7 | Y88 Y106 Q114 L119 W120 L121 | Y88-E117 HydrophobicContact CD2-CG 4.36Å; Y88-E117 HydrophobicContact CE2-CB 4.43Å; Y88-E117 HydrophobicContact CE2-CG 3.51Å; Y88-E117 WeakPolarHBondContact CE2-OE2 3.42Å; Y106-E117 HydrophobicContact CE1-CG 4.16Å; Y106-E117 VanDerWaalsContact CE1-OE1 3.29Å; Y106-E117 WeakPolarHBondContact CE1-OE1 3.27Å; Y106-E117 PolarHBondContact OH-OE1 2.99Å; Q114-E117 PolarHBondContact O-N 3.39Å; Q114-E117 VanDerWaalsContact O-N 3.14Å; E117-L119 VanDerWaalsContact C-N 3.29Å; E117-L119 PolarHBondContact O-N 2.95Å; E117-W120 HydrophobicContact CG-CE3 4.48Å; E117-W120 PolarHBondContact O-N 3.43Å; E117-L121 VanDerWaalsContact O-CB 3.31Å; E117-L121 WeakPolarHBondContact O-CB 3.5Å; E117-L121 PolarHBondContact O-N 2.93Å |
| 118 | V | 94.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -54.2 | -46 | 177.5 | 163.4 | 0 | 0 | 0 | 0 | 111 | Y106 I108 Q114 S122 F138 L140 I184 | Y106-V118 HydrophobicContact CD1-CG2 3.3Å; Y106-V118 HydrophobicContact CE1-CG2 4.05Å; Y106-V118 HydrophobicContact CG-CG2 3.59Å; I108-V118 HydrophobicContact CG2-CG2 3.99Å; Q114-V118 WeakPolarHBondContact O-CB 3.22Å; Q114-V118 VanDerWaalsContact O-CG2 3.3Å; Q114-V118 WeakPolarHBondContact O-CG2 3.23Å; Q114-V118 PolarHBondContact O-N 3.01Å; V118-S122 WeakPolarHBondContact O-CB 3.37Å; V118-S122 PolarHBondContact O-N 3.3Å; V118-S122 PolarHBondContact O-OG 3.39Å; V118-F138 HydrophobicContact CG1-CE1 4.42Å; V118-F138 HydrophobicContact CG1-CZ 4.22Å; V118-L140 HydrophobicContact CG1-CD1 3.94Å; V118-L140 HydrophobicContact CG2-CD1 4.29Å; V118-I184 HydrophobicContact CG1-CD1 3.86Å; V118-I184 HydrophobicContact CG1-CG1 4.12Å |
| 119 | L | 95.3 | Very high | 90.1 | Very high | 50 Ų | 50 | 38.5 Ų | 38.5 | 26% | 0.262 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -67.2 | -47 | 178.5 | -71.9 | 173.5 | 0 | 0 | 0 | 111.7 | I115 E117 S122 E123 | I115-L119 HydrophobicContact CG2-CD1 3.98Å; I115-L119 WeakPolarHBondContact O-CB 3.43Å; I115-L119 VanDerWaalsContact O-CG 3.25Å; I115-L119 WeakPolarHBondContact O-CG 3.43Å; I115-L119 PolarHBondContact O-N 3.01Å; I115-L119 VanDerWaalsContact O-N 3.13Å; E117-L119 VanDerWaalsContact C-N 3.29Å; E117-L119 PolarHBondContact O-N 2.95Å; L119-S122 PolarHBondContact O-OG 3.29Å; L119-E123 WeakPolarHBondContact O-CB 3.42Å; L119-E123 WeakPolarHBondContact O-CG 3.2Å; L119-E123 PolarHBondContact O-N 2.94Å; L119-E123 VanDerWaalsContact O-N 3.13Å |
| 120 | W | 94.8 | Very high | 90 | Very high | 68 Ų | 68 | 42.8 Ų | 42.8 | 26% | 0.258 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.4 | -50.1 | 177.6 | 164.9 | 76.9 | 0 | 0 | 0 | 112.6 | Y88 R91 F94 L95 E116 E117 E123 C124 | Y88-W120 HydrophobicContact CE2-CE3 4.49Å; Y88-W120 HydrophobicContact CE2-CZ3 4.03Å; R91-W120 HydrophobicContact CB-CH2 3.88Å; R91-W120 HydrophobicContact CB-CZ2 3.94Å; R91-W120 HydrophobicContact CG-CH2 4.09Å; R91-W120 HydrophobicContact CG-CZ2 4.31Å; R91-W120 WeakPolarHBondContact O-CH2 3.49Å; F94-W120 HydrophobicContact CD1-CH2 4.19Å; F94-W120 AromaticContact CD1-CZ3 3.97Å; F94-W120 HydrophobicContact CD1-CZ3 3.97Å; F94-W120 HydrophobicContact CE1-CZ3 4.23Å; L95-W120 HydrophobicContact CB-CH2 4.14Å; L95-W120 HydrophobicContact CB-CZ2 4.49Å; L95-W120 HydrophobicContact CD2-CZ2 4.45Å; E116-W120 WeakPolarHBondContact O-CB 3.43Å; E116-W120 PolarHBondContact O-N 3.23Å; E117-W120 HydrophobicContact CG-CE3 4.48Å; E117-W120 PolarHBondContact O-N 3.43Å; W120-E123 PolarHBondContact O-N 3.3Å; W120-C124 PolarHBondContact O-N 3.3Å; W120-C124 PolarHBondContact O-SG 2.93Å |
| 121 | L | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.8 | -47.2 | -176.8 | 176.4 | 65.4 | 0 | 0 | 0 | 111.1 | F94 L95 V98 V104 Y106 E117 E123 C124 L125 F138 | F94-L121 HydrophobicContact CE1-CD1 4.45Å; F94-L121 HydrophobicContact CE1-CD2 4.34Å; L95-L121 HydrophobicContact CD1-CD1 3.74Å; V98-L121 HydrophobicContact CB-CD1 4.4Å; V98-L121 HydrophobicContact CG1-CD1 4.01Å; V98-L121 HydrophobicContact CG1-CD2 4Å; V104-L121 HydrophobicContact CG1-CD2 4.25Å; Y106-L121 HydrophobicContact CD2-CD2 4.48Å; Y106-L121 HydrophobicContact CE2-CD2 3.39Å; Y106-L121 WeakPolarHBondContact OH-CD2 3.22Å; E117-L121 VanDerWaalsContact O-CB 3.31Å; E117-L121 WeakPolarHBondContact O-CB 3.5Å; E117-L121 PolarHBondContact O-N 2.93Å; L121-E123 VanDerWaalsContact C-N 3.28Å; L121-E123 PolarHBondContact O-N 2.81Å; L121-C124 WeakPolarHBondContact O-CB 3.29Å; L121-C124 PolarHBondContact O-N 3.44Å; L121-C124 VanDerWaalsContact O-N 3.1Å; L121-L125 HydrophobicContact CD1-CD1 4.16Å; L121-L125 HydrophobicContact CD1-CG 4.1Å; L121-L125 HydrophobicContact CD2-CD1 4.48Å; L121-L125 HydrophobicContact CG-CD1 3.95Å; L121-L125 HydrophobicContact CG-CG 4.3Å; L121-L125 WeakPolarHBondContact O-CG 3.35Å; L121-L125 PolarHBondContact O-N 2.88Å; L121-F138 HydrophobicContact CD2-CE2 4.32Å |
| 122 | S | 93.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.4 | -33.3 | 179.9 | 62.6 | 0 | 0 | 0 | 0 | 112.6 | V118 L119 E126 I184 L187 | V118-S122 WeakPolarHBondContact O-CB 3.37Å; V118-S122 PolarHBondContact O-N 3.3Å; V118-S122 PolarHBondContact O-OG 3.39Å; L119-S122 PolarHBondContact O-OG 3.29Å; S122-E126 WeakPolarHBondContact O-CB 3.47Å; S122-E126 PolarHBondContact O-N 2.83Å; S122-I184 VanDerWaalsContact CB-CD1 3.48Å; S122-I184 WeakPolarHBondContact OG-CD1 3.23Å; S122-L187 VanDerWaalsContact OG-CD1 3.29Å; S122-L187 WeakPolarHBondContact OG-CD1 3.21Å |
| 123 | E | 94.1 | Very high | 90.9 | Very high | 91 Ų | 91 | 55.3 Ų | 55.3 | 43% | 0.425 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.9 | -42.3 | 170 | -82.4 | -159.9 | -171 | 0 | 0 | 113.1 | L119 W120 L121 E126 K127 L187 | L119-E123 WeakPolarHBondContact O-CB 3.42Å; L119-E123 WeakPolarHBondContact O-CG 3.2Å; L119-E123 PolarHBondContact O-N 2.94Å; L119-E123 VanDerWaalsContact O-N 3.13Å; W120-E123 PolarHBondContact O-N 3.3Å; L121-E123 VanDerWaalsContact C-N 3.28Å; L121-E123 PolarHBondContact O-N 2.81Å; E123-E126 PolarHBondContact O-N 2.68Å; E123-K127 WeakPolarHBondContact O-CB 3.28Å; E123-K127 WeakPolarHBondContact O-CD 3.36Å; E123-K127 VanDerWaalsContact O-CG 3.22Å; E123-K127 WeakPolarHBondContact O-CG 3.45Å; E123-K127 PolarHBondContact O-N 3.27Å; E123-K127 IonicContact OE2-NZ 3.53Å; E123-K127 PolarHBondContact OE2-NZ 2.66Å; E123-L187 HydrophobicContact CG-CD1 4.19Å; E123-L187 HydrophobicContact CG-CD2 4.33Å |
| 124 | C | 93 | Very high | 90.9 | Very high | 22 Ų | 22 | 52.6 Ų | 52.6 | 15% | 0.149 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 176.6 | -71.7 | 0 | 0 | 0 | 0 | 111.4 | L95 W120 L121 E126 K127 K128 | L95-C124 HydrophobicContact CD1-CB 3.73Å; L95-C124 HydrophobicContact CD2-CB 3.95Å; W120-C124 PolarHBondContact O-N 3.3Å; W120-C124 PolarHBondContact O-SG 2.93Å; L121-C124 WeakPolarHBondContact O-CB 3.29Å; L121-C124 PolarHBondContact O-N 3.44Å; L121-C124 VanDerWaalsContact O-N 3.1Å; C124-E126 PolarHBondContact O-N 3.22Å; C124-K127 PolarHBondContact O-N 2.91Å; C124-K128 PolarHBondContact O-N 2.78Å |
| 125 | L | 92.9 | Very high | 91 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.4 | -37.4 | 175.5 | -67 | 175.8 | 0 | 0 | 0 | 112.2 | E99 V104 L121 S129 F132 K136 F138 F195 | E99-L125 HydrophobicContact CG-CD2 3.86Å; V104-L125 HydrophobicContact CG2-CD1 4.44Å; L121-L125 HydrophobicContact CD1-CD1 4.16Å; L121-L125 HydrophobicContact CD1-CG 4.1Å; L121-L125 HydrophobicContact CD2-CD1 4.48Å; L121-L125 HydrophobicContact CG-CD1 3.95Å; L121-L125 HydrophobicContact CG-CG 4.3Å; L121-L125 WeakPolarHBondContact O-CG 3.35Å; L121-L125 PolarHBondContact O-N 2.88Å; L125-S129 WeakPolarHBondContact O-CA 3.43Å; L125-S129 WeakPolarHBondContact O-CB 3.21Å; L125-S129 PolarHBondContact O-N 2.92Å; L125-F132 HydrophobicContact CB-CZ 4.12Å; L125-F132 HydrophobicContact CD2-CE1 4.44Å; L125-F132 HydrophobicContact CD2-CZ 3.88Å; L125-F132 WeakPolarHBondContact O-CZ 3.47Å; L125-K136 HydrophobicContact CD1-CD 4.15Å; L125-K136 HydrophobicContact CD2-CD 3.96Å; L125-F138 HydrophobicContact CD1-CD2 4.1Å; L125-F138 HydrophobicContact CD1-CE2 4.49Å; L125-F195 HydrophobicContact CB-CD2 4.5Å; L125-F195 HydrophobicContact CB-CE2 3.87Å; L125-F195 HydrophobicContact CB-CZ 3.95Å; L125-F195 HydrophobicContact CD1-CE2 4.24Å |
| 126 | E | 93.1 | Very high | 91 | Very high | 16 Ų | 16 | 56 Ų | 56 | 8% | 0.075 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66 | -44.4 | 174.6 | -166.3 | -97 | 136.7 | 0 | 0 | 111.9 | S122 E123 C124 K128 S129 L187 K190 R191 F195 | S122-E126 WeakPolarHBondContact O-CB 3.47Å; S122-E126 PolarHBondContact O-N 2.83Å; E123-E126 PolarHBondContact O-N 2.68Å; C124-E126 PolarHBondContact O-N 3.22Å; E126-K128 VanDerWaalsContact C-N 3.34Å; E126-K128 PolarHBondContact O-N 2.96Å; E126-S129 VanDerWaalsContact O-CB 3.29Å; E126-S129 WeakPolarHBondContact O-CB 3.49Å; E126-S129 PolarHBondContact O-N 2.92Å; E126-S129 PolarHBondContact O-OG 2.76Å; E126-L187 HydrophobicContact CB-CD2 4.2Å; E126-L187 HydrophobicContact CG-CB 4.5Å; E126-L187 HydrophobicContact CG-CD2 4.18Å; E126-K190 HydrophobicContact CG-CD 4.07Å; E126-K190 VanDerWaalsContact OE1-CD 3.29Å; E126-K190 WeakPolarHBondContact OE1-CD 2.87Å; E126-K190 WeakPolarHBondContact OE2-CD 3.15Å; E126-K190 WeakPolarHBondContact OE2-CE 3.1Å; E126-K190 IonicContact OE2-NZ 3.63Å; E126-K190 PolarHBondContact OE2-NZ 3.41Å; E126-R191 HydrophobicContact CG-CG 4.1Å; E126-R191 VanDerWaalsContact OE1-CG 3.31Å; E126-R191 WeakPolarHBondContact OE1-CG 3.42Å; E126-R191 IonicContact OE1-NE 2.61Å; E126-F195 HydrophobicContact CB-CD1 4.11Å; E126-F195 HydrophobicContact CB-CE1 4.1Å; E126-F195 HydrophobicContact CG-CD1 4.32Å |
| 127 | K | 91.7 | Very high | 91.1 | Very high | 130 Ų | 130 | 49.3 Ų | 49.3 | 57% | 0.565 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -61.7 | -38.9 | 178.3 | -71.4 | 161 | -167.3 | 159.3 | 0 | 112.3 | E123 C124 | E123-K127 WeakPolarHBondContact O-CB 3.28Å; E123-K127 WeakPolarHBondContact O-CD 3.36Å; E123-K127 VanDerWaalsContact O-CG 3.22Å; E123-K127 WeakPolarHBondContact O-CG 3.45Å; E123-K127 PolarHBondContact O-N 3.27Å; E123-K127 IonicContact OE2-NZ 3.53Å; E123-K127 PolarHBondContact OE2-NZ 2.66Å; C124-K127 PolarHBondContact O-N 2.91Å |
| 128 | K | 90.8 | Very high | 91.4 | Very high | 59 Ų | 59 | 48.1 Ų | 48.1 | 26% | 0.257 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -89.7 | 0.4 | 177.7 | -75.5 | 174.9 | 166.7 | -170.4 | 0 | 114.6 | E99 C124 E126 D130 Q131 F132 | E99-K128 WeakPolarHBondContact OE1-CD 3.35Å; E99-K128 VanDerWaalsContact OE1-CE 3.3Å; E99-K128 WeakPolarHBondContact OE1-CE 3.37Å; E99-K128 IonicContact OE1-NZ 2.88Å; E99-K128 PolarHBondContact OE1-NZ 2.72Å; E99-K128 WeakPolarHBondContact OE2-CD 3.3Å; E99-K128 IonicContact OE2-NZ 3.78Å; E99-K128 PolarHBondContact OE2-NZ 3.26Å; C124-K128 PolarHBondContact O-N 2.78Å; E126-K128 VanDerWaalsContact C-N 3.34Å; E126-K128 PolarHBondContact O-N 2.96Å; K128-D130 PolarHBondContact O-N 2.98Å; K128-Q131 VanDerWaalsContact O-CB 3.3Å; K128-Q131 WeakPolarHBondContact O-CB 3.36Å; K128-Q131 PolarHBondContact O-N 3.21Å; K128-F132 HydrophobicContact CB-CE1 4.29Å |
| 129 | S | 88.4 | Confident | 91.5 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -54.9 | -29.8 | -174.5 | 61.7 | 0 | 0 | 0 | 0 | 115.1 | L125 E126 Q131 F132 R191 K194 | L125-S129 WeakPolarHBondContact O-CA 3.43Å; L125-S129 WeakPolarHBondContact O-CB 3.21Å; L125-S129 PolarHBondContact O-N 2.92Å; E126-S129 VanDerWaalsContact O-CB 3.29Å; E126-S129 WeakPolarHBondContact O-CB 3.49Å; E126-S129 PolarHBondContact O-N 2.92Å; E126-S129 PolarHBondContact O-OG 2.76Å; S129-Q131 PolarHBondContact O-N 3.13Å; S129-F132 PolarHBondContact O-N 2.85Å; S129-R191 WeakPolarHBondContact OG-CG 3.3Å; S129-K194 WeakPolarHBondContact O-CD 3.44Å |
| 130 | D | 86.8 | Confident | 91.7 | Very high | 96 Ų | 96 | 45.7 Ų | 45.7 | 51% | 0.513 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -65.3 | -21.8 | 176 | -70.7 | -32 | 0 | 0 | 0 | 113.1 | K128 R191 K194 | K128-D130 PolarHBondContact O-N 2.98Å; D130-R191 IonicContact OD1-CZ 3.25Å; D130-R191 IonicContact OD1-NH1 2.71Å; D130-R191 PolarHBondContact OD1-NH1 3.41Å; D130-R191 IonicContact OD2-CZ 3.75Å; D130-R191 IonicContact OD2-NH1 3.82Å; D130-R191 PolarHBondContact OD2-NH1 3.38Å; D130-R191 IonicContact OD2-NH2 2.63Å; D130-R191 PolarHBondContact OD2-NH2 2.93Å; D130-K194 PolarHBondContact O-NZ 3.31Å |
| 131 | Q | 88.1 | Confident | 91.8 | Very high | 142 Ų | 142 | 42.5 Ų | 42.5 | 66% | 0.664 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -84.5 | -17.1 | 178.8 | -56.9 | 175.7 | 2.2 | 0 | 0 | 113.5 | K128 S129 | K128-Q131 VanDerWaalsContact O-CB 3.3Å; K128-Q131 WeakPolarHBondContact O-CB 3.36Å; K128-Q131 PolarHBondContact O-N 3.21Å; S129-Q131 PolarHBondContact O-N 3.13Å |
| 132 | F | 87.4 | Confident | 91.9 | Very high | 17 Ų | 17 | 42.5 Ų | 42.5 | 8% | 0.075 | 22% | 0.216 | C | C | . | . | trans | -65.3 | 136.6 | -176.3 | -57.9 | -19 | 0 | 0 | 0 | 112.1 | E99 L125 K128 S129 S134 K136 K194 F195 | E99-F132 HydrophobicContact CG-CE1 4.38Å; L125-F132 HydrophobicContact CB-CZ 4.12Å; L125-F132 HydrophobicContact CD2-CE1 4.44Å; L125-F132 HydrophobicContact CD2-CZ 3.88Å; L125-F132 WeakPolarHBondContact O-CZ 3.47Å; K128-F132 HydrophobicContact CB-CE1 4.29Å; S129-F132 PolarHBondContact O-N 2.85Å; F132-S134 WeakPolarHBondContact CB-O 3.49Å; F132-K136 HydrophobicContact CD2-CB 3.8Å; F132-K136 HydrophobicContact CD2-CD 4.44Å; F132-K136 HydrophobicContact CE2-CB 3.87Å; F132-K136 HydrophobicContact CE2-CD 3.83Å; F132-K136 HydrophobicContact CE2-CG 4.47Å; F132-K136 HydrophobicContact CZ-CD 3.97Å; F132-K194 PolarHBondContact O-NZ 2.68Å; F132-F195 HydrophobicContact CE2-CB 4.41Å; F132-F195 HydrophobicContact CE2-CD2 4.15Å | ||
| 133 | V | 82.8 | Confident | 91.9 | Very high | 157 Ų | 157 | 43 Ų | 43 | 95% | 0.952 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -77.2 | -49.4 | 177 | -178.8 | 0 | 0 | 0 | 0 | 110.4 | ||
| 134 | S | 84.4 | Confident | 91.9 | Very high | 54 Ų | 54 | 38.7 Ų | 38.7 | 38% | 0.378 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -96.7 | 174.9 | 173.4 | 61.1 | 0 | 0 | 0 | 0 | 111.4 | D102 F132 | D102-S134 WeakPolarHBondContact OD1-CB 3.37Å; D102-S134 PolarHBondContact OD1-OG 3.33Å; F132-S134 WeakPolarHBondContact CB-O 3.49Å |
| 135 | K | 89.4 | Confident | 92 | Very high | 92 Ų | 92 | 37.7 Ų | 37.7 | 40% | 0.4 | 19% | 0.192 | S | C | . | . | trans | -85 | 110.4 | 171.1 | 174.3 | -162.8 | 172.3 | -162.3 | 0 | 108.3 | K194 | K135-K194 CarbonylContact C-O 3.43Å; K135-K194 WeakPolarHBondContact CA-O 3.38Å | ||
| 136 | K | 92.6 | Very high | 92 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 1% | 0.013 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 135.8 | 178.8 | -167.8 | -177.2 | -67.7 | -82.4 | 0 | 111 | V98 E99 F101 D102 V104 L125 F132 K194 F195 V196 | V98-K136 PolarHBondContact O-NZ 3.49Å; E99-K136 PolarHBondContact O-NZ 3.28Å; F101-K136 PolarHBondContact O-NZ 3.05Å; D102-K136 WeakPolarHBondContact O-CA 3.4Å; V104-K136 HydrophobicContact CG2-CD 4.32Å; L125-K136 HydrophobicContact CD1-CD 4.15Å; L125-K136 HydrophobicContact CD2-CD 3.96Å; F132-K136 HydrophobicContact CD2-CB 3.8Å; F132-K136 HydrophobicContact CD2-CD 4.44Å; F132-K136 HydrophobicContact CE2-CB 3.87Å; F132-K136 HydrophobicContact CE2-CD 3.83Å; F132-K136 HydrophobicContact CE2-CG 4.47Å; F132-K136 HydrophobicContact CZ-CD 3.97Å; K136-K194 PolarHBondContact N-O 3.19Å; K136-F195 HydrophobicContact CB-CD2 4.38Å; K136-V196 PolarHBondContact O-N 3.44Å; K136-V196 VanDerWaalsContact O-N 3.11Å |
| 137 | I | 94.9 | Very high | 92 | Very high | 13 Ų | 13 | 37 Ų | 37 | 7% | 0.067 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 129.6 | 176.5 | -56.8 | 178.7 | 0 | 0 | 0 | 108.9 | D102 V103 V104 I139 Y198 P256 | D102-I137 PolarHBondContact O-N 3.28Å; V103-I137 CarbonylContact C-O 3.49Å; V103-I137 WeakPolarHBondContact CA-O 3.41Å; V103-I137 HydrophobicContact CG1-CB 4.45Å; V103-I137 HydrophobicContact CG2-CB 4.49Å; V104-I137 PolarHBondContact N-O 3.27Å; I137-I139 HydrophobicContact CG2-CD1 4.33Å; I137-I139 HydrophobicContact CG2-CG1 3.94Å; I137-Y198 HydrophobicContact CG2-CD2 3.83Å; I137-Y198 HydrophobicContact CG2-CE2 3.89Å; I137-P256 HydrophobicContact CD1-CG 4.42Å |
| 138 | F | 96.8 | Very high | 92 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 126.8 | 173.4 | -172 | -79.1 | 0 | 0 | 0 | 109.3 | V104 Y106 V118 L121 L125 L140 I184 F195 V196 T197 Y198 | V104-F138 HydrophobicContact CB-CD2 3.86Å; V104-F138 HydrophobicContact CB-CE2 4.36Å; V104-F138 HydrophobicContact CG1-CD2 3.73Å; V104-F138 HydrophobicContact CG1-CE2 3.72Å; V104-F138 CarbonylContact O-C 3.55Å; V104-F138 WeakPolarHBondContact O-CA 3.46Å; Y106-F138 AromaticContact CD2-CE2 3.92Å; Y106-F138 HydrophobicContact CD2-CE2 3.92Å; Y106-F138 AromaticContact CD2-CZ 3.8Å; Y106-F138 HydrophobicContact CD2-CZ 3.8Å; Y106-F138 HydrophobicContact CE2-CE2 4.25Å; Y106-F138 HydrophobicContact CE2-CZ 4.47Å; Y106-F138 HydrophobicContact CG-CZ 4.32Å; V118-F138 HydrophobicContact CG1-CE1 4.42Å; V118-F138 HydrophobicContact CG1-CZ 4.22Å; L121-F138 HydrophobicContact CD2-CE2 4.32Å; L125-F138 HydrophobicContact CD1-CD2 4.1Å; L125-F138 HydrophobicContact CD1-CE2 4.49Å; F138-L140 HydrophobicContact CE1-CB 4.39Å; F138-I184 HydrophobicContact CD1-CG2 4.26Å; F138-I184 HydrophobicContact CE1-CD1 4.17Å; F138-I184 HydrophobicContact CE1-CG2 4.41Å; F138-F195 HydrophobicContact CB-CE2 3.81Å; F138-F195 HydrophobicContact CB-CZ 3.97Å; F138-F195 HydrophobicContact CD2-CZ 4.49Å; F138-F195 HydrophobicContact CG-CZ 4.36Å; F138-V196 PolarHBondContact N-O 2.66Å; F138-T197 HydrophobicContact CB-CG2 4.2Å; F138-T197 CarbonylContact O-C 3.58Å; F138-T197 VanDerWaalsContact O-CA 3.32Å; F138-T197 WeakPolarHBondContact O-CA 3.46Å; F138-Y198 PolarHBondContact O-N 2.95Å |
| 139 | I | 97.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 116.7 | -178 | -54.2 | -178.9 | 0 | 0 | 0 | 108.1 | V103 V104 I105 Y106 I137 Y198 L200 I249 I252 I253 | V103-I139 HydrophobicContact CG1-CD1 4.26Å; V104-I139 PolarHBondContact O-N 2.99Å; I105-I139 WeakPolarHBondContact CA-O 3.22Å; I105-I139 HydrophobicContact CG1-CB 4.41Å; Y106-I139 PolarHBondContact N-O 2.93Å; I137-I139 HydrophobicContact CG2-CD1 4.33Å; I137-I139 HydrophobicContact CG2-CG1 3.94Å; I139-Y198 HydrophobicContact CG1-CD2 4.43Å; I139-L200 HydrophobicContact CG2-CD1 3.62Å; I139-L200 HydrophobicContact CG2-CG 3.84Å; I139-I249 HydrophobicContact CD1-CG2 4.13Å; I139-I252 HydrophobicContact CD1-CG2 4.07Å; I139-I253 HydrophobicContact CD1-CG1 4.39Å |
| 140 | L | 97.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 119.4 | 168.7 | -178.8 | 66.7 | 0 | 0 | 0 | 109.2 | I108 V118 F138 I184 Y198 V199 L200 | I108-L140 HydrophobicContact CD1-CD1 4.04Å; I108-L140 HydrophobicContact CD1-CD2 4.09Å; I108-L140 HydrophobicContact CD1-CG 4.38Å; I108-L140 HydrophobicContact CG1-CD1 3.88Å; I108-L140 HydrophobicContact CG1-CG 4.41Å; I108-L140 HydrophobicContact CG2-CD1 3.94Å; V118-L140 HydrophobicContact CG1-CD1 3.94Å; V118-L140 HydrophobicContact CG2-CD1 4.29Å; F138-L140 HydrophobicContact CE1-CB 4.39Å; L140-I184 HydrophobicContact CB-CG2 4.44Å; L140-I184 HydrophobicContact CD2-CG1 4.03Å; L140-Y198 PolarHBondContact N-O 3.18Å; L140-V199 HydrophobicContact CB-CG2 4.33Å; L140-V199 HydrophobicContact CD2-CG1 4.5Å; L140-V199 HydrophobicContact CD2-CG2 4.36Å; L140-V199 CarbonylContact O-C 3.57Å; L140-V199 WeakPolarHBondContact O-CA 3.5Å; L140-L200 PolarHBondContact O-N 3.01Å |
| 141 | V | 97.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 126.8 | 168 | -174.6 | 0 | 0 | 0 | 0 | 108 | I105 Y106 D107 I108 T109 F205 L245 I249 | I105-V141 HydrophobicContact CG2-CG2 4.24Å; Y106-V141 PolarHBondContact O-N 3.16Å; D107-V141 HydrophobicContact CB-CB 4.37Å; I108-V141 WeakPolarHBondContact CG1-O 3.43Å; I108-V141 PolarHBondContact N-O 2.97Å; T109-V141 HydrophobicContact CG2-CG1 3.93Å; V141-F205 HydrophobicContact CG1-CE2 4.48Å; V141-F205 HydrophobicContact CG1-CZ 3.83Å; V141-L245 HydrophobicContact CG1-CD2 4.02Å; V141-I249 HydrophobicContact CG2-CD1 4.45Å |
| 142 | T | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 175.5 | -179.4 | -162.1 | 0 | 0 | 0 | 0 | 110.1 | T109 E181 V199 L200 A201 C202 | T109-T142 VanDerWaalsContact CG2-C 3.42Å; T142-E181 HydrophobicContact CG2-CG 3.91Å; T142-V199 HydrophobicContact CG2-CG1 3.94Å; T142-L200 WeakPolarHBondContact CG2-O 3.25Å; T142-L200 PolarHBondContact N-O 2.99Å; T142-L200 VanDerWaalsContact O-O 3.1Å; T142-A201 HydrophobicContact CG2-CB 4.32Å; T142-C202 WeakPolarHBondContact O-CB 3.15Å; T142-C202 PolarHBondContact O-N 3.09Å |
| 143 | N | 93.7 | Very high | 92.3 | Very high | 11 Ų | 11 | 36.4 Ų | 36.4 | 6% | 0.059 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 164.4 | -175.4 | 67 | 43.8 | 0 | 0 | 0 | 112.4 | T109 M145 C202 | T109-N143 HydrophobicContact CG2-CB 4.37Å; T109-N143 PolarHBondContact O-ND2 3.22Å; N143-M145 PolarHBondContact O-N 2.84Å; N143-M145 WeakPolarHBondContact OD1-CB 3.27Å; N143-M145 VanDerWaalsContact OD1-CG 3.27Å; N143-M145 WeakPolarHBondContact OD1-CG 3.34Å; N143-M145 PolarHBondContact OD1-N 2.88Å; N143-C202 WeakPolarHBondContact CA-O 3.48Å |
| 144 | L | 95.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -74.5 | 3.6 | 178.5 | -75.6 | 166.2 | 0 | 0 | 0 | 115.2 | S146 W147 A201 C202 P238 V263 M311 L313 I315 | L144-S146 PolarHBondContact O-N 2.68Å; L144-W147 WeakPolarHBondContact O-CB 3.32Å; L144-W147 PolarHBondContact O-N 3.06Å; L144-A201 HydrophobicContact CD2-CB 3.92Å; L144-C202 WeakPolarHBondContact CG-O 3.14Å; L144-C202 PolarHBondContact N-O 3.12Å; L144-P238 HydrophobicContact CD1-CB 3.76Å; L144-P238 HydrophobicContact CD1-CG 4.11Å; L144-V263 HydrophobicContact CD1-CG1 4.4Å; L144-V263 HydrophobicContact CD2-CG1 4.14Å; L144-V263 HydrophobicContact CD2-CG2 4.2Å; L144-M311 HydrophobicContact CB-CE 4.16Å; L144-M311 HydrophobicContact CB-SD 3.79Å; L144-L313 HydrophobicContact CB-CD2 3.82Å; L144-L313 HydrophobicContact CD1-CD2 4.21Å; L144-L313 HydrophobicContact CD2-CD2 4.18Å; L144-L313 HydrophobicContact CG-CD2 4.29Å; L144-I315 HydrophobicContact CD1-CG2 4.1Å; L144-I315 HydrophobicContact CD2-CD1 4.4Å; L144-I315 HydrophobicContact CD2-CG2 4.43Å |
| 145 | M | 94.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -63.3 | -13.8 | 175.9 | -58.1 | -62 | -77.4 | 0 | 0 | 113 | N143 W147 V148 S170 H171 F174 D307 I308 M311 | N143-M145 PolarHBondContact O-N 2.84Å; N143-M145 WeakPolarHBondContact OD1-CB 3.27Å; N143-M145 VanDerWaalsContact OD1-CG 3.27Å; N143-M145 WeakPolarHBondContact OD1-CG 3.34Å; N143-M145 PolarHBondContact OD1-N 2.88Å; M145-W147 PolarHBondContact O-N 3.03Å; M145-V148 HydrophobicContact CE-CG2 4.46Å; M145-V148 HydrophobicContact SD-CG2 3.9Å; M145-S170 CarbonylContact O-C 3.17Å; M145-S170 VanDerWaalsContact O-CA 3.28Å; M145-S170 WeakPolarHBondContact O-CA 3.14Å; M145-H171 HydrophobicContact CE-CB 3.93Å; M145-H171 PolarHBondContact O-N 2.83Å; M145-F174 HydrophobicContact CB-CB 3.88Å; M145-F174 HydrophobicContact CB-CD1 3.72Å; M145-F174 HydrophobicContact CB-CD2 3.8Å; M145-F174 HydrophobicContact CB-CE1 4.16Å; M145-F174 HydrophobicContact CB-CE2 4.22Å; M145-F174 HydrophobicContact CB-CG 3.52Å; M145-F174 HydrophobicContact CB-CZ 4.39Å; M145-F174 HydrophobicContact CE-CD2 3.94Å; M145-F174 HydrophobicContact CE-CE2 3.62Å; M145-F174 HydrophobicContact CE-CZ 4.27Å; M145-F174 HydrophobicContact CG-CD1 4.06Å; M145-F174 HydrophobicContact CG-CD2 4.12Å; M145-F174 HydrophobicContact CG-CE1 3.96Å; M145-F174 HydrophobicContact CG-CE2 4.02Å; M145-F174 HydrophobicContact CG-CG 4.13Å; M145-F174 HydrophobicContact CG-CZ 3.93Å; M145-D307 HydrophobicContact CE-CB 4.2Å; M145-D307 WeakPolarHBondContact CE-O 3.47Å; M145-I308 HydrophobicContact CG-CG1 4.09Å; M145-I308 HydrophobicContact SD-CG1 4.29Å; M145-M311 HydrophobicContact SD-CB 4.12Å; M145-M311 HydrophobicContact SD-CG 4.48Å; M145-M311 HydrophobicContact SD-SD 4Å |
| 146 | S | 92.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -68.5 | -9.1 | 170.5 | 67.8 | 0 | 0 | 0 | 0 | 114.3 | L144 R168 K169 S170 E181 Y261 | L144-S146 PolarHBondContact O-N 2.68Å; S146-R168 WeakPolarHBondContact O-CG 3.49Å; S146-K169 CarbonylContact O-C 3.55Å; S146-S170 WeakPolarHBondContact O-CA 3.48Å; S146-S170 PolarHBondContact O-N 2.92Å; S146-E181 WeakPolarHBondContact CB-OE1 3.07Å; S146-E181 VanDerWaalsContact CB-OE2 3.23Å; S146-E181 WeakPolarHBondContact CB-OE2 3.44Å; S146-E181 PolarHBondContact OG-OE1 3.01Å; S146-E181 PolarHBondContact OG-OE2 2.95Å; S146-Y261 PolarHBondContact OG-OH 2.93Å |
| 147 | W | 94.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | -21.5 | 177.9 | -70.6 | 81.6 | 0 | 0 | 0 | 116 | L144 M145 S149 T150 F160 E164 Y165 R168 K169 Y261 L313 I315 | L144-W147 WeakPolarHBondContact O-CB 3.32Å; L144-W147 PolarHBondContact O-N 3.06Å; M145-W147 PolarHBondContact O-N 3.03Å; W147-S149 VanDerWaalsContact C-N 3.28Å; W147-S149 PolarHBondContact O-N 3.33Å; W147-T150 WeakPolarHBondContact O-CB 3.45Å; W147-T150 PolarHBondContact O-N 3.3Å; W147-T150 PolarHBondContact O-OG1 3.42Å; W147-F160 HydrophobicContact CE3-CB 4.21Å; W147-F160 HydrophobicContact CE3-CD1 4.17Å; W147-F160 HydrophobicContact CE3-CG 4.08Å; W147-F160 HydrophobicContact CZ3-CB 3.88Å; W147-F160 HydrophobicContact CZ3-CD1 4.03Å; W147-F160 HydrophobicContact CZ3-CG 4.08Å; W147-E164 HydrophobicContact CH2-CB 4.23Å; W147-E164 HydrophobicContact CZ3-CB 4.32Å; W147-Y165 VanDerWaalsContact CH2-CA 3.46Å; W147-Y165 VanDerWaalsContact CZ2-CA 3.49Å; W147-R168 HydrophobicContact CD2-CB 3.82Å; W147-R168 HydrophobicContact CE3-CB 3.94Å; W147-R168 HydrophobicContact CG-CB 4.17Å; W147-R168 HydrophobicContact CZ3-CB 4.46Å; W147-K169 CarbonylContact C-O 3.36Å; W147-Y261 AromaticContact CZ2-CE1 3.91Å; W147-Y261 HydrophobicContact CZ2-CE1 3.91Å; W147-Y261 AromaticContact NE1-CE1 3.72Å; W147-Y261 AromaticContact NE1-CZ 3.72Å; W147-Y261 PolarHBondContact NE1-OH 3.02Å; W147-L313 HydrophobicContact CB-CD1 4.09Å; W147-L313 HydrophobicContact CB-CD2 3.92Å; W147-L313 HydrophobicContact CG-CD2 4.47Å; W147-I315 HydrophobicContact CD2-CD1 3.76Å; W147-I315 HydrophobicContact CE3-CD1 3.97Å; W147-I315 HydrophobicContact CG-CD1 4.37Å; W147-I315 HydrophobicContact CH2-CD1 3.76Å; W147-I315 HydrophobicContact CZ2-CD1 3.57Å; W147-I315 HydrophobicContact CZ3-CD1 3.98Å |
| 148 | V | 91.4 | Very high | 90.2 | Very high | 48 Ų | 48 | 46.5 Ų | 46.5 | 29% | 0.291 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -29.4 | -162.9 | 171.8 | 0 | 0 | 0 | 0 | 115.4 | M145 T150 H171 M311 | M145-V148 HydrophobicContact CE-CG2 4.46Å; M145-V148 HydrophobicContact SD-CG2 3.9Å; V148-T150 VanDerWaalsContact C-N 3.35Å; V148-H171 HydrophobicContact CB-CB 4.32Å; V148-M311 HydrophobicContact CG2-CB 4.41Å; V148-M311 HydrophobicContact CG2-CG 3.79Å; V148-M311 HydrophobicContact CG2-SD 3.86Å |
| 149 | S | 92.1 | Very high | 89.7 | Confident | 50 Ų | 50 | 47.6 Ų | 47.6 | 35% | 0.35 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 10.8 | 177.3 | -51.6 | 0 | 0 | 0 | 0 | 113.7 | W147 K169 S170 | W147-S149 VanDerWaalsContact C-N 3.28Å; W147-S149 PolarHBondContact O-N 3.33Å; S149-K169 CarbonylContact C-O 3.57Å; S149-K169 WeakPolarHBondContact CA-O 3.19Å; S149-K169 PolarHBondContact N-O 2.88Å; S149-K169 WeakPolarHBondContact O-CB 3.39Å; S149-S170 WeakPolarHBondContact CB-O 3.31Å; S149-S170 PolarHBondContact OG-O 3.43Å |
| 150 | T | 92.7 | Very high | 89.4 | Confident | 16 Ų | 16 | 48.2 Ų | 48.2 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 137.8 | 179.6 | -47.4 | 0 | 0 | 0 | 0 | 109.2 | W147 V148 F160 R167 R168 K169 | W147-T150 WeakPolarHBondContact O-CB 3.45Å; W147-T150 PolarHBondContact O-N 3.3Å; W147-T150 PolarHBondContact O-OG1 3.42Å; V148-T150 VanDerWaalsContact C-N 3.35Å; T150-F160 HydrophobicContact CG2-CD1 4.33Å; T150-F160 HydrophobicContact CG2-CE1 3.55Å; T150-F160 HydrophobicContact CG2-CZ 4.07Å; T150-R167 HydrophobicContact CG2-CG 4.38Å; T150-R168 WeakPolarHBondContact OG1-CA 3.46Å; T150-K169 PolarHBondContact N-O 2.95Å; T150-K169 PolarHBondContact OG1-N 2.8Å |
| 151 | K | 90 | Very high | 89.1 | Confident | 166 Ų | 166 | 51.3 Ų | 51.3 | 72% | 0.722 | 29% | 0.285 | S | S | * | . | P | Polyproline II helix | trans | -80.5 | 130.7 | 172.3 | -65.5 | -168.2 | 172.5 | -164.2 | 0 | 108.7 | ||
| 152 | P | 88.6 | Confident | 88.9 | Confident | 49 Ų | 49 | 51.3 Ų | 51.3 | 32% | 0.318 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 165.2 | 174.7 | 29.2 | -35.5 | 0 | 0 | 0 | 111.4 | D154 P158 F160 | P152-D154 WeakPolarHBondContact CB-O 3.45Å; P152-P158 HydrophobicContact CB-CB 4.06Å; P152-P158 HydrophobicContact CG-CB 4.08Å; P152-F160 HydrophobicContact CB-CE1 4.45Å; P152-F160 HydrophobicContact CB-CZ 4.12Å |
| 153 | N | 84.7 | Confident | 88.7 | Confident | 104 Ų | 104 | 54.9 Ų | 54.9 | 56% | 0.556 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -68.1 | -48.3 | 171.4 | -73.9 | -43.1 | 0 | 0 | 0 | 111.1 | E164 R167 | N153-E164 PolarHBondContact ND2-OE1 3.01Å; N153-R167 PolarHBondContact ND2-NH2 2.82Å; N153-R167 VanDerWaalsContact OD1-CZ 3.22Å; N153-R167 PolarHBondContact OD1-NH1 3.49Å; N153-R167 PolarHBondContact OD1-NH2 2.6Å |
| 154 | D | 85 | Confident | 88.5 | Confident | 78 Ų | 78 | 56.2 Ų | 56.2 | 42% | 0.417 | 32% | 0.316 | S | S | . | . | trans | -113.3 | 128.3 | -177.3 | -159.7 | -37.2 | 0 | 0 | 0 | 108.8 | P152 E156 D157 | P152-D154 WeakPolarHBondContact CB-O 3.45Å; D154-E156 VanDerWaalsContact C-N 3.26Å; D154-E156 PolarHBondContact OD1-N 2.98Å; D154-D157 CarbonylContact O-C 3.5Å | ||
| 155 | P | 79.7 | Confident | 88.4 | Confident | 119 Ų | 119 | 57.4 Ų | 57.4 | 77% | 0.773 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -65.4 | -25.8 | 170.3 | -21.7 | 34.6 | 0 | 0 | 0 | 114 | ||
| 156 | E | 80.2 | Confident | 88.3 | Confident | 182 Ų | 182 | 65.1 Ų | 65.1 | 85% | 0.85 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -85.8 | -33.6 | -177.3 | -60.5 | -167.7 | 165.2 | 0 | 0 | 112.4 | D154 | D154-E156 VanDerWaalsContact C-N 3.26Å; D154-E156 PolarHBondContact OD1-N 2.98Å |
| 157 | D | 79.2 | Confident | 88.3 | Confident | 99 Ų | 99 | 69.9 Ų | 69.9 | 53% | 0.529 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -119.1 | 90.7 | 167.8 | -174.4 | 19.9 | 0 | 0 | 0 | 111.1 | D154 G159 | D154-D157 CarbonylContact O-C 3.5Å; D157-G159 PolarHBondContact O-N 3.31Å |
| 158 | P | 76.4 | Confident | 88.2 | Confident | 53 Ų | 53 | 70.3 Ų | 70.3 | 34% | 0.344 | 37% | 0.374 | S | S | . | . | trans | -75.9 | 30.1 | -172.9 | 31.7 | -36.8 | 0 | 0 | 0 | 114.4 | P152 | P152-P158 HydrophobicContact CB-CB 4.06Å; P152-P158 HydrophobicContact CG-CB 4.08Å | ||
| 159 | G | 86.1 | Confident | 88.3 | Confident | 22 Ų | 22 | 73.8 Ų | 73.8 | 23% | 0.227 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 149.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | D157 R314 | D157-G159 PolarHBondContact O-N 3.31Å; G159-R314 WeakPolarHBondContact CA-O 3.28Å |
| 160 | F | 91.5 | Very high | 88.4 | Confident | 14 Ų | 14 | 72 Ų | 72 | 6% | 0.061 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 154.3 | 170 | -62.5 | -78.7 | 0 | 0 | 0 | 111 | W147 T150 P152 L313 R314 I315 E316 | W147-F160 HydrophobicContact CE3-CB 4.21Å; W147-F160 HydrophobicContact CE3-CD1 4.17Å; W147-F160 HydrophobicContact CE3-CG 4.08Å; W147-F160 HydrophobicContact CZ3-CB 3.88Å; W147-F160 HydrophobicContact CZ3-CD1 4.03Å; W147-F160 HydrophobicContact CZ3-CG 4.08Å; T150-F160 HydrophobicContact CG2-CD1 4.33Å; T150-F160 HydrophobicContact CG2-CE1 3.55Å; T150-F160 HydrophobicContact CG2-CZ 4.07Å; P152-F160 HydrophobicContact CB-CE1 4.45Å; P152-F160 HydrophobicContact CB-CZ 4.12Å; F160-L313 HydrophobicContact CD2-CD1 3.53Å; F160-L313 HydrophobicContact CE2-CD1 3.68Å; F160-R314 PolarHBondContact N-O 3.24Å; F160-I315 HydrophobicContact CB-CB 4.21Å; F160-I315 HydrophobicContact CB-CD1 4.1Å; F160-I315 HydrophobicContact CB-CG1 3.94Å; F160-I315 CarbonylContact O-C 3.59Å; F160-I315 VanDerWaalsContact O-CA 3.29Å; F160-I315 WeakPolarHBondContact O-CA 3.37Å; F160-E316 PolarHBondContact O-N 3.49Å |
| 161 | V | 91.1 | Very high | 88.4 | Confident | 64 Ų | 64 | 73.3 Ų | 73.3 | 39% | 0.388 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 139.3 | 170.6 | -175.6 | 0 | 0 | 0 | 0 | 108.6 | S163 E164 | V161-S163 PolarHBondContact O-N 2.69Å; V161-E164 HydrophobicContact CB-CG 4.4Å; V161-E164 VanDerWaalsContact O-CB 3.3Å; V161-E164 WeakPolarHBondContact O-CB 3.42Å; V161-E164 WeakPolarHBondContact O-CG 3.46Å; V161-E164 PolarHBondContact O-N 3.22Å |
| 162 | E | 92.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -46.7 | -39.7 | -179.9 | 179.3 | -173.4 | 116.9 | 0 | 0 | 113.4 | E164 Y165 Q259 I262 V263 E316 T319 | E162-E164 PolarHBondContact O-N 2.98Å; E162-Y165 WeakPolarHBondContact O-CB 3.46Å; E162-Y165 WeakPolarHBondContact O-CD1 3.22Å; E162-Y165 PolarHBondContact O-N 2.9Å; E162-Y165 VanDerWaalsContact O-N 3.1Å; E162-Q259 WeakPolarHBondContact OE1-CG 3.4Å; E162-I262 WeakPolarHBondContact OE2-CA 3.43Å; E162-V263 HydrophobicContact CB-CB 4.37Å; E162-V263 HydrophobicContact CB-CG2 4.12Å; E162-V263 HydrophobicContact CG-CB 4.24Å; E162-V263 HydrophobicContact CG-CG2 3.9Å; E162-V263 PolarHBondContact OE2-N 3.23Å; E162-E316 PolarHBondContact N-O 3.36Å; E162-T319 WeakPolarHBondContact OE1-CB 3.49Å; E162-T319 PolarHBondContact OE1-OG1 3.12Å |
| 163 | S | 90.7 | Very high | 88.4 | Confident | 75 Ų | 75 | 72.4 Ų | 72.4 | 52% | 0.524 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -55.9 | -23.7 | 179.5 | 70.2 | 0 | 0 | 0 | 0 | 114.4 | V161 Y165 | V161-S163 PolarHBondContact O-N 2.69Å; S163-Y165 VanDerWaalsContact C-N 3.26Å; S163-Y165 PolarHBondContact O-N 2.78Å |
| 164 | E | 90.8 | Very high | 88.7 | Confident | 38 Ų | 38 | 67.8 Ų | 67.8 | 18% | 0.178 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -78.7 | -2.4 | -179 | -57.1 | -167.2 | 137.5 | 0 | 0 | 114.3 | W147 N153 V161 E162 K166 R167 | W147-E164 HydrophobicContact CH2-CB 4.23Å; W147-E164 HydrophobicContact CZ3-CB 4.32Å; N153-E164 PolarHBondContact ND2-OE1 3.01Å; V161-E164 HydrophobicContact CB-CG 4.4Å; V161-E164 VanDerWaalsContact O-CB 3.3Å; V161-E164 WeakPolarHBondContact O-CB 3.42Å; V161-E164 WeakPolarHBondContact O-CG 3.46Å; V161-E164 PolarHBondContact O-N 3.22Å; E162-E164 PolarHBondContact O-N 2.98Å; E164-K166 PolarHBondContact O-N 3.02Å; E164-R167 VanDerWaalsContact CD-CZ 3.48Å; E164-R167 WeakPolarHBondContact O-CG 3.48Å; E164-R167 PolarHBondContact O-N 3.22Å; E164-R167 IonicContact OE1-CZ 3.32Å; E164-R167 VanDerWaalsContact OE1-CZ 3.32Å; E164-R167 IonicContact OE1-NE 2.79Å; E164-R167 IonicContact OE1-NH1 3.88Å; E164-R167 IonicContact OE1-NH2 3Å; E164-R167 PolarHBondContact OE1-NH2 3.35Å; E164-R167 IonicContact OE2-CZ 3.26Å; E164-R167 VanDerWaalsContact OE2-CZ 3.26Å; E164-R167 IonicContact OE2-NE 2.72Å; E164-R167 PolarHBondContact OE2-NE 3.03Å; E164-R167 IonicContact OE2-NH2 2.68Å; E164-R167 PolarHBondContact OE2-NH2 3.28Å |
| 165 | Y | 92.8 | Very high | 89 | Confident | 26 Ų | 26 | 69.9 Ų | 69.9 | 10% | 0.102 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -45 | -24.9 | -171.1 | 75 | -99.5 | 0 | 0 | 0 | 116.4 | W147 E162 S163 R167 R168 L185 Y261 | W147-Y165 VanDerWaalsContact CH2-CA 3.46Å; W147-Y165 VanDerWaalsContact CZ2-CA 3.49Å; E162-Y165 WeakPolarHBondContact O-CB 3.46Å; E162-Y165 WeakPolarHBondContact O-CD1 3.22Å; E162-Y165 PolarHBondContact O-N 2.9Å; E162-Y165 VanDerWaalsContact O-N 3.1Å; S163-Y165 VanDerWaalsContact C-N 3.26Å; S163-Y165 PolarHBondContact O-N 2.78Å; Y165-R167 VanDerWaalsContact C-N 3.29Å; Y165-R167 PolarHBondContact O-N 3.19Å; Y165-R168 WeakPolarHBondContact O-CD 3.28Å; Y165-R168 VanDerWaalsContact O-CG 3.24Å; Y165-R168 WeakPolarHBondContact O-CG 3.36Å; Y165-R168 PolarHBondContact O-NH1 2.93Å; Y165-L185 HydrophobicContact CD2-CD1 4.42Å; Y165-L185 HydrophobicContact CE2-CD1 4.11Å; Y165-Y261 HydrophobicContact CD1-CD1 4.23Å; Y165-Y261 HydrophobicContact CD1-CG 4.46Å; Y165-Y261 HydrophobicContact CD2-CD1 4.4Å; Y165-Y261 HydrophobicContact CD2-CG 4.19Å; Y165-Y261 AromaticContact CG-CD1 3.77Å; Y165-Y261 HydrophobicContact CG-CD1 3.77Å; Y165-Y261 HydrophobicContact CG-CE1 4.46Å; Y165-Y261 AromaticContact CG-CG 3.98Å; Y165-Y261 HydrophobicContact CG-CG 3.98Å |
| 166 | K | 92.1 | Very high | 89.6 | Confident | 163 Ų | 163 | 70 Ų | 70 | 71% | 0.709 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -65.8 | -26.3 | -180 | -62.4 | 172.7 | -171.3 | 158.6 | 0 | 113.8 | E164 | E164-K166 PolarHBondContact O-N 3.02Š|
| 167 | R | 92.2 | Very high | 90.3 | Very high | 101 Ų | 101 | 61.8 Ų | 61.8 | 38% | 0.381 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -97.2 | -1.9 | -176.5 | 79.1 | -167.1 | -176.7 | 149.5 | 7.8 | 114.2 | T150 N153 E164 Y165 | T150-R167 HydrophobicContact CG2-CG 4.38Å; N153-R167 PolarHBondContact ND2-NH2 2.82Å; N153-R167 VanDerWaalsContact OD1-CZ 3.22Å; N153-R167 PolarHBondContact OD1-NH1 3.49Å; N153-R167 PolarHBondContact OD1-NH2 2.6Å; E164-R167 VanDerWaalsContact CD-CZ 3.48Å; E164-R167 WeakPolarHBondContact O-CG 3.48Å; E164-R167 PolarHBondContact O-N 3.22Å; E164-R167 IonicContact OE1-CZ 3.32Å; E164-R167 VanDerWaalsContact OE1-CZ 3.32Å; E164-R167 IonicContact OE1-NE 2.79Å; E164-R167 IonicContact OE1-NH1 3.88Å; E164-R167 IonicContact OE1-NH2 3Å; E164-R167 PolarHBondContact OE1-NH2 3.35Å; E164-R167 IonicContact OE2-CZ 3.26Å; E164-R167 VanDerWaalsContact OE2-CZ 3.26Å; E164-R167 IonicContact OE2-NE 2.72Å; E164-R167 PolarHBondContact OE2-NE 3.03Å; E164-R167 IonicContact OE2-NH2 2.68Å; E164-R167 PolarHBondContact OE2-NH2 3.28Å; Y165-R167 VanDerWaalsContact C-N 3.29Å; Y165-R167 PolarHBondContact O-N 3.19Å |
| 168 | R | 92.8 | Very high | 91 | Very high | 9 Ų | 9 | 57.7 Ų | 57.7 | 3% | 0.034 | 29% | 0.287 | C | S | . | . | trans | -59.1 | 144.6 | -174.9 | 77.2 | -175.8 | 173.3 | -103.6 | 4.3 | 112.7 | S146 W147 T150 Y165 L178 E181 Y261 | S146-R168 WeakPolarHBondContact O-CG 3.49Å; W147-R168 HydrophobicContact CD2-CB 3.82Å; W147-R168 HydrophobicContact CE3-CB 3.94Å; W147-R168 HydrophobicContact CG-CB 4.17Å; W147-R168 HydrophobicContact CZ3-CB 4.46Å; T150-R168 WeakPolarHBondContact OG1-CA 3.46Å; Y165-R168 WeakPolarHBondContact O-CD 3.28Å; Y165-R168 VanDerWaalsContact O-CG 3.24Å; Y165-R168 WeakPolarHBondContact O-CG 3.36Å; Y165-R168 PolarHBondContact O-NH1 2.93Å; R168-L178 HydrophobicContact CG-CD1 3.6Å; R168-E181 IonicContact CZ-OE2 3.63Å; R168-E181 IonicContact NE-OE1 2.87Å; R168-E181 IonicContact NE-OE2 3.74Å; R168-E181 PolarHBondContact NE-OE2 3.21Å; R168-E181 VanDerWaalsContact NH2-CB 3.27Å; R168-E181 VanDerWaalsContact NH2-CD 3.28Å; R168-E181 IonicContact NH2-OE1 3.73Å; R168-E181 IonicContact NH2-OE2 2.74Å; R168-E181 PolarHBondContact NH2-OE2 2.79Å; R168-Y261 VanDerWaalsContact NH2-CE2 3.35Å | ||
| 169 | K | 93.5 | Very high | 91.9 | Very high | 120 Ų | 120 | 61 Ų | 61 | 52% | 0.522 | 30% | 0.298 | S | S | . | . | trans | -123.8 | 124.8 | 174.2 | -66.6 | -179 | 177.4 | -177.5 | 0 | 108.8 | S146 W147 S149 T150 | S146-K169 CarbonylContact O-C 3.55Å; W147-K169 CarbonylContact C-O 3.36Å; S149-K169 CarbonylContact C-O 3.57Å; S149-K169 WeakPolarHBondContact CA-O 3.19Å; S149-K169 PolarHBondContact N-O 2.88Å; S149-K169 WeakPolarHBondContact O-CB 3.39Å; T150-K169 PolarHBondContact N-O 2.95Å; T150-K169 PolarHBondContact OG1-N 2.8Å | ||
| 170 | S | 93.1 | Very high | 92.4 | Very high | 14 Ų | 14 | 60 Ų | 60 | 10% | 0.098 | 29% | 0.288 | C | S | . | . | trans | -71.4 | 158.9 | -179.5 | 58.8 | 0 | 0 | 0 | 0 | 112.4 | M145 S146 S149 F174 | M145-S170 CarbonylContact O-C 3.17Å; M145-S170 VanDerWaalsContact O-CA 3.28Å; M145-S170 WeakPolarHBondContact O-CA 3.14Å; S146-S170 WeakPolarHBondContact O-CA 3.48Å; S146-S170 PolarHBondContact O-N 2.92Å; S149-S170 WeakPolarHBondContact CB-O 3.31Å; S149-S170 PolarHBondContact OG-O 3.43Å; S170-F174 VanDerWaalsContact CB-O 3.22Å; S170-F174 WeakPolarHBondContact CB-O 3.41Å; S170-F174 PolarHBondContact OG-O 3.16Å | ||
| 171 | H | 92.8 | Very high | 92.6 | Very high | 43 Ų | 43 | 59.4 Ų | 59.4 | 20% | 0.199 | 29% | 0.285 | C | S | . | . | trans | -53 | 144.3 | 157.9 | -173.5 | -116.1 | 0 | 0 | 0 | 110 | M145 V148 K173 F174 D307 | M145-H171 HydrophobicContact CE-CB 3.93Å; M145-H171 PolarHBondContact O-N 2.83Å; V148-H171 HydrophobicContact CB-CB 4.32Å; H171-K173 PolarHBondContact O-N 2.8Å; H171-K173 VanDerWaalsContact O-N 3.07Å; H171-F174 HydrophobicContact CB-CB 4.45Å; H171-F174 HydrophobicContact CB-CD2 3.91Å; H171-F174 AromaticContact ND1-CD2 3.6Å; H171-F174 AromaticContact ND1-CE2 3.89Å; H171-F174 PolarHBondContact O-N 2.7Å; H171-D307 IonicContact CE1-OD1 3.89Å | ||
| 172 | P | 90.2 | Very high | 92.8 | Very high | 82 Ų | 82 | 60.1 Ų | 60.1 | 53% | 0.532 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -28.5 | -173.9 | -30.2 | 38.1 | 0 | 0 | 0 | 115.5 | ||
| 173 | K | 88.1 | Confident | 93 | Very high | 114 Ų | 114 | 62 Ų | 62 | 50% | 0.496 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -16.1 | 176 | -61.5 | 175 | -179.6 | 166.4 | 0 | 114.2 | H171 D307 | H171-K173 PolarHBondContact O-N 2.8Å; H171-K173 VanDerWaalsContact O-N 3.07Å; K173-D307 WeakPolarHBondContact CD-OD2 3.45Å; K173-D307 WeakPolarHBondContact CE-OD2 3.5Å; K173-D307 IonicContact NZ-OD1 2.83Å; K173-D307 PolarHBondContact NZ-OD1 2.88Å; K173-D307 IonicContact NZ-OD2 3.34Å; K173-D307 PolarHBondContact NZ-OD2 3.03Å |
| 174 | F | 90.9 | Very high | 93.2 | Very high | 7 Ų | 7 | 58.4 Ų | 58.4 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | trans | -112.3 | 34.1 | -173.7 | -67.3 | -98 | 0 | 0 | 0 | 112.2 | M145 S170 H171 Y177 L178 D307 I308 | M145-F174 HydrophobicContact CB-CB 3.88Å; M145-F174 HydrophobicContact CB-CD1 3.72Å; M145-F174 HydrophobicContact CB-CD2 3.8Å; M145-F174 HydrophobicContact CB-CE1 4.16Å; M145-F174 HydrophobicContact CB-CE2 4.22Å; M145-F174 HydrophobicContact CB-CG 3.52Å; M145-F174 HydrophobicContact CB-CZ 4.39Å; M145-F174 HydrophobicContact CE-CD2 3.94Å; M145-F174 HydrophobicContact CE-CE2 3.62Å; M145-F174 HydrophobicContact CE-CZ 4.27Å; M145-F174 HydrophobicContact CG-CD1 4.06Å; M145-F174 HydrophobicContact CG-CD2 4.12Å; M145-F174 HydrophobicContact CG-CE1 3.96Å; M145-F174 HydrophobicContact CG-CE2 4.02Å; M145-F174 HydrophobicContact CG-CG 4.13Å; M145-F174 HydrophobicContact CG-CZ 3.93Å; S170-F174 VanDerWaalsContact CB-O 3.22Å; S170-F174 WeakPolarHBondContact CB-O 3.41Å; S170-F174 PolarHBondContact OG-O 3.16Å; H171-F174 HydrophobicContact CB-CB 4.45Å; H171-F174 HydrophobicContact CB-CD2 3.91Å; H171-F174 AromaticContact ND1-CD2 3.6Å; H171-F174 AromaticContact ND1-CE2 3.89Å; H171-F174 PolarHBondContact O-N 2.7Å; F174-Y177 HydrophobicContact CB-CD2 4.3Å; F174-Y177 HydrophobicContact CB-CG 4.38Å; F174-Y177 AromaticContact CD1-CD1 3.93Å; F174-Y177 HydrophobicContact CD1-CD1 3.93Å; F174-Y177 AromaticContact CD1-CD2 3.87Å; F174-Y177 HydrophobicContact CD1-CD2 3.87Å; F174-Y177 AromaticContact CD1-CE1 3.85Å; F174-Y177 HydrophobicContact CD1-CE1 3.85Å; F174-Y177 AromaticContact CD1-CE2 3.83Å; F174-Y177 HydrophobicContact CD1-CE2 3.83Å; F174-Y177 AromaticContact CD1-CG 3.96Å; F174-Y177 HydrophobicContact CD1-CG 3.96Å; F174-Y177 AromaticContact CD1-CZ 3.84Å; F174-Y177 HydrophobicContact CE1-CE1 4.11Å; F174-Y177 HydrophobicContact CE1-CE2 4.34Å; F174-Y177 HydrophobicContact CG-CD2 4.49Å; F174-L178 PolarHBondContact O-N 3.13Å; F174-D307 HydrophobicContact CE2-CB 4.21Å; F174-I308 HydrophobicContact CZ-CD1 4.33Å; F174-I308 HydrophobicContact CZ-CG1 4.03Å | ||
| 175 | K | 92.5 | Very high | 93.4 | Very high | 122 Ų | 122 | 57 Ų | 57 | 53% | 0.53 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68.9 | -42.9 | 179 | -70.7 | 174.8 | -175.3 | 171.7 | 0 | 112.5 | Y177 L178 E179 | K175-Y177 VanDerWaalsContact C-N 3.27Å; K175-Y177 PolarHBondContact O-N 3.34Å; K175-L178 WeakPolarHBondContact O-CB 3.3Å; K175-L178 PolarHBondContact O-N 3.05Å; K175-L178 VanDerWaalsContact O-N 3.12Å; K175-E179 WeakPolarHBondContact O-CG 3.33Å; K175-E179 PolarHBondContact O-N 3.35Å |
| 176 | E | 92.4 | Very high | 93.5 | Very high | 122 Ų | 122 | 61.9 Ų | 61.9 | 57% | 0.57 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -61.4 | -37.2 | -179.3 | -68.6 | 164 | -163.8 | 0 | 0 | 111.6 | I115 E179 C180 | I115-E176 HydrophobicContact CD1-CB 4.12Å; E176-E179 PolarHBondContact O-N 3.42Å; E176-C180 WeakPolarHBondContact O-CB 3.19Å; E176-C180 PolarHBondContact O-N 2.76Å |
| 177 | Y | 93.8 | Very high | 93.5 | Very high | 9 Ų | 9 | 54.7 Ų | 54.7 | 4% | 0.035 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.7 | -52.6 | 172.7 | -69.2 | -121.7 | 0 | 0 | 0 | 110.4 | I108 I110 P112 I115 F174 K175 E179 C180 E181 | I108-Y177 HydrophobicContact CD1-CD1 4.32Å; I108-Y177 WeakPolarHBondContact O-CE1 3.35Å; I110-Y177 PolarHBondContact O-OH 3.13Å; P112-Y177 HydrophobicContact CB-CE2 4.25Å; I115-Y177 HydrophobicContact CD1-CD2 3.89Å; I115-Y177 HydrophobicContact CD1-CE2 4.01Å; I115-Y177 HydrophobicContact CD1-CG 4.36Å; F174-Y177 HydrophobicContact CB-CD2 4.3Å; F174-Y177 HydrophobicContact CB-CG 4.38Å; F174-Y177 AromaticContact CD1-CD1 3.93Å; F174-Y177 HydrophobicContact CD1-CD1 3.93Å; F174-Y177 AromaticContact CD1-CD2 3.87Å; F174-Y177 HydrophobicContact CD1-CD2 3.87Å; F174-Y177 AromaticContact CD1-CE1 3.85Å; F174-Y177 HydrophobicContact CD1-CE1 3.85Å; F174-Y177 AromaticContact CD1-CE2 3.83Å; F174-Y177 HydrophobicContact CD1-CE2 3.83Å; F174-Y177 AromaticContact CD1-CG 3.96Å; F174-Y177 HydrophobicContact CD1-CG 3.96Å; F174-Y177 AromaticContact CD1-CZ 3.84Å; F174-Y177 HydrophobicContact CE1-CE1 4.11Å; F174-Y177 HydrophobicContact CE1-CE2 4.34Å; F174-Y177 HydrophobicContact CG-CD2 4.49Å; K175-Y177 VanDerWaalsContact C-N 3.27Å; K175-Y177 PolarHBondContact O-N 3.34Å; Y177-E179 VanDerWaalsContact C-N 3.27Å; Y177-E179 PolarHBondContact O-N 2.78Å; Y177-C180 WeakPolarHBondContact O-CB 3.5Å; Y177-C180 PolarHBondContact O-N 3.3Å; Y177-E181 VanDerWaalsContact O-CG 3.31Å; Y177-E181 WeakPolarHBondContact O-CG 3.41Å; Y177-E181 PolarHBondContact O-N 3.43Å |
| 178 | L | 94.8 | Very high | 93.4 | Very high | 12 Ų | 12 | 50.3 Ų | 50.3 | 6% | 0.063 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.1 | -32 | 178 | 174.3 | 60.7 | 0 | 0 | 0 | 113.3 | R168 F174 K175 E181 K182 | R168-L178 HydrophobicContact CG-CD1 3.6Å; F174-L178 PolarHBondContact O-N 3.13Å; K175-L178 WeakPolarHBondContact O-CB 3.3Å; K175-L178 PolarHBondContact O-N 3.05Å; K175-L178 VanDerWaalsContact O-N 3.12Å; L178-E181 WeakPolarHBondContact CA-OE2 3.25Å; L178-E181 WeakPolarHBondContact CD1-OE2 3.24Å; L178-K182 HydrophobicContact CD1-CD 4.21Å; L178-K182 VanDerWaalsContact CD1-CE 3.48Å; L178-K182 HydrophobicContact CD1-CG 4.49Å; L178-K182 HydrophobicContact CG-CD 4.34Å; L178-K182 WeakPolarHBondContact O-CB 3.19Å; L178-K182 WeakPolarHBondContact O-CD 3.47Å; L178-K182 WeakPolarHBondContact O-CG 3.46Å; L178-K182 PolarHBondContact O-N 2.97Å |
| 179 | E | 95 | Very high | 93.2 | Very high | 124 Ų | 124 | 55 Ų | 55 | 58% | 0.579 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -74.2 | -40.9 | 175.1 | -70.8 | 179.2 | -174 | 0 | 0 | 111.9 | K175 E176 Y177 K182 S183 | K175-E179 WeakPolarHBondContact O-CG 3.33Å; K175-E179 PolarHBondContact O-N 3.35Å; E176-E179 PolarHBondContact O-N 3.42Å; Y177-E179 VanDerWaalsContact C-N 3.27Å; Y177-E179 PolarHBondContact O-N 2.78Å; E179-K182 PolarHBondContact O-N 2.86Å; E179-S183 PolarHBondContact O-N 3.29Å; E179-S183 PolarHBondContact O-OG 3.06Å; E179-S183 VanDerWaalsContact O-OG 3.1Å |
| 180 | C | 95.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.007 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.7 | -55 | 172.5 | -174.3 | 0 | 0 | 0 | 0 | 111.6 | I108 I115 E176 Y177 K182 S183 I184 | I108-C180 HydrophobicContact CD1-CB 4.38Å; I115-C180 HydrophobicContact CG2-CB 3.91Å; E176-C180 WeakPolarHBondContact O-CB 3.19Å; E176-C180 PolarHBondContact O-N 2.76Å; Y177-C180 WeakPolarHBondContact O-CB 3.5Å; Y177-C180 PolarHBondContact O-N 3.3Å; C180-K182 VanDerWaalsContact C-N 3.26Å; C180-K182 PolarHBondContact O-N 3.1Å; C180-S183 PolarHBondContact O-N 3.04Å; C180-I184 WeakPolarHBondContact O-CG1 3.28Å; C180-I184 PolarHBondContact O-N 2.84Å |
| 181 | E | 96.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -49.5 | -47 | 175.2 | -68.9 | 174.9 | 138 | 0 | 0 | 111.8 | T142 S146 R168 Y177 L178 S183 L185 V199 Y261 | T142-E181 HydrophobicContact CG2-CG 3.91Å; S146-E181 WeakPolarHBondContact CB-OE1 3.07Å; S146-E181 VanDerWaalsContact CB-OE2 3.23Å; S146-E181 WeakPolarHBondContact CB-OE2 3.44Å; S146-E181 PolarHBondContact OG-OE1 3.01Å; S146-E181 PolarHBondContact OG-OE2 2.95Å; R168-E181 IonicContact CZ-OE2 3.63Å; R168-E181 IonicContact NE-OE1 2.87Å; R168-E181 IonicContact NE-OE2 3.74Å; R168-E181 PolarHBondContact NE-OE2 3.21Å; R168-E181 VanDerWaalsContact NH2-CB 3.27Å; R168-E181 VanDerWaalsContact NH2-CD 3.28Å; R168-E181 IonicContact NH2-OE1 3.73Å; R168-E181 IonicContact NH2-OE2 2.74Å; R168-E181 PolarHBondContact NH2-OE2 2.79Å; Y177-E181 VanDerWaalsContact O-CG 3.31Å; Y177-E181 WeakPolarHBondContact O-CG 3.41Å; Y177-E181 PolarHBondContact O-N 3.43Å; L178-E181 WeakPolarHBondContact CA-OE2 3.25Å; L178-E181 WeakPolarHBondContact CD1-OE2 3.24Å; E181-S183 VanDerWaalsContact C-N 3.33Å; E181-S183 PolarHBondContact O-N 3.2Å; E181-L185 WeakPolarHBondContact O-CB 3.46Å; E181-L185 VanDerWaalsContact O-CG 3.27Å; E181-L185 WeakPolarHBondContact O-CG 3.48Å; E181-L185 PolarHBondContact O-N 3.31Å; E181-V199 HydrophobicContact CB-CG1 4.2Å; E181-V199 HydrophobicContact CG-CG1 3.87Å; E181-Y261 HydrophobicContact CG-CE2 4.47Å; E181-Y261 WeakPolarHBondContact OE1-CE2 3.3Å; E181-Y261 PolarHBondContact OE1-OH 3.24Å; E181-Y261 VanDerWaalsContact OE1-OH 3.1Å |
| 182 | K | 96 | Very high | 91.7 | Very high | 80 Ų | 80 | 64.1 Ų | 64.1 | 35% | 0.348 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.9 | -35.3 | -179.5 | -79.2 | 169.1 | -178.6 | 161.9 | 0 | 112.1 | L178 E179 C180 K186 | L178-K182 HydrophobicContact CD1-CD 4.21Å; L178-K182 VanDerWaalsContact CD1-CE 3.48Å; L178-K182 HydrophobicContact CD1-CG 4.49Å; L178-K182 HydrophobicContact CG-CD 4.34Å; L178-K182 WeakPolarHBondContact O-CB 3.19Å; L178-K182 WeakPolarHBondContact O-CD 3.47Å; L178-K182 WeakPolarHBondContact O-CG 3.46Å; L178-K182 PolarHBondContact O-N 2.97Å; E179-K182 PolarHBondContact O-N 2.86Å; C180-K182 VanDerWaalsContact C-N 3.26Å; C180-K182 PolarHBondContact O-N 3.1Å; K182-K186 WeakPolarHBondContact O-CD 3.42Å; K182-K186 WeakPolarHBondContact O-CG 3.31Å; K182-K186 PolarHBondContact O-N 2.81Å |
| 183 | S | 95.9 | Very high | 91.4 | Very high | 40 Ų | 40 | 69.6 Ų | 69.6 | 28% | 0.28 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -72.4 | -47.5 | 178.3 | -67.2 | 0 | 0 | 0 | 0 | 111.6 | E179 C180 E181 L185 K186 L187 | E179-S183 PolarHBondContact O-N 3.29Å; E179-S183 PolarHBondContact O-OG 3.06Å; E179-S183 VanDerWaalsContact O-OG 3.1Å; C180-S183 PolarHBondContact O-N 3.04Å; E181-S183 VanDerWaalsContact C-N 3.33Å; E181-S183 PolarHBondContact O-N 3.2Å; S183-L185 VanDerWaalsContact C-N 3.34Å; S183-L185 PolarHBondContact O-N 3.5Å; S183-K186 WeakPolarHBondContact O-CB 3.35Å; S183-K186 PolarHBondContact O-N 3.17Å; S183-L187 WeakPolarHBondContact O-CG 3.37Å; S183-L187 PolarHBondContact O-N 3.21Å |
| 184 | I | 96.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.7 | -44.1 | 174.8 | -63.5 | -51.3 | 0 | 0 | 0 | 111.6 | V118 S122 F138 L140 C180 K186 L187 G188 T197 V199 | V118-I184 HydrophobicContact CG1-CD1 3.86Å; V118-I184 HydrophobicContact CG1-CG1 4.12Å; S122-I184 VanDerWaalsContact CB-CD1 3.48Å; S122-I184 WeakPolarHBondContact OG-CD1 3.23Å; F138-I184 HydrophobicContact CD1-CG2 4.26Å; F138-I184 HydrophobicContact CE1-CD1 4.17Å; F138-I184 HydrophobicContact CE1-CG2 4.41Å; L140-I184 HydrophobicContact CB-CG2 4.44Å; L140-I184 HydrophobicContact CD2-CG1 4.03Å; C180-I184 WeakPolarHBondContact O-CG1 3.28Å; C180-I184 PolarHBondContact O-N 2.84Å; I184-K186 VanDerWaalsContact C-N 3.28Å; I184-K186 PolarHBondContact O-N 3.01Å; I184-L187 HydrophobicContact CD1-CD1 4.44Å; I184-L187 PolarHBondContact O-N 3.2Å; I184-G188 PolarHBondContact O-N 3.19Å; I184-T197 HydrophobicContact CG2-CG2 4.03Å; I184-T197 WeakPolarHBondContact O-CB 3.38Å; I184-T197 PolarHBondContact O-OG1 3.17Å; I184-V199 HydrophobicContact CB-CG2 4.16Å; I184-V199 HydrophobicContact CG2-CG2 3.84Å |
| 185 | L | 94.7 | Very high | 91.6 | Very high | 8 Ų | 8 | 67.4 Ų | 67.4 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.1 | -23.5 | 174.9 | -72.5 | 174.6 | 0 | 0 | 0 | 114.3 | Y165 E181 S183 K189 V199 R260 Y261 | Y165-L185 HydrophobicContact CD2-CD1 4.42Å; Y165-L185 HydrophobicContact CE2-CD1 4.11Å; E181-L185 WeakPolarHBondContact O-CB 3.46Å; E181-L185 VanDerWaalsContact O-CG 3.27Å; E181-L185 WeakPolarHBondContact O-CG 3.48Å; E181-L185 PolarHBondContact O-N 3.31Å; S183-L185 VanDerWaalsContact C-N 3.34Å; S183-L185 PolarHBondContact O-N 3.5Å; L185-K189 VanDerWaalsContact O-CD 3.23Å; L185-K189 WeakPolarHBondContact O-CD 3.31Å; L185-K189 VanDerWaalsContact O-CE 3.32Å; L185-K189 WeakPolarHBondContact O-CE 3.48Å; L185-K189 VanDerWaalsContact O-CG 3.3Å; L185-K189 WeakPolarHBondContact O-CG 3.48Å; L185-V199 HydrophobicContact CD2-CB 4.38Å; L185-V199 HydrophobicContact CD2-CG2 3.99Å; L185-V199 HydrophobicContact CG-CG2 3.85Å; L185-R260 HydrophobicContact CD2-CB 3.94Å; L185-R260 WeakPolarHBondContact CD2-O 3.45Å; L185-Y261 HydrophobicContact CD1-CD2 3.88Å; L185-Y261 HydrophobicContact CD1-CG 4.37Å |
| 186 | K | 94.3 | Very high | 91.7 | Very high | 129 Ų | 129 | 62 Ų | 62 | 56% | 0.561 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -78.1 | -42.2 | 174 | -74.9 | 163.4 | -172.8 | 171.3 | 0 | 110.9 | K182 S183 I184 K189 | K182-K186 WeakPolarHBondContact O-CD 3.42Å; K182-K186 WeakPolarHBondContact O-CG 3.31Å; K182-K186 PolarHBondContact O-N 2.81Å; S183-K186 WeakPolarHBondContact O-CB 3.35Å; S183-K186 PolarHBondContact O-N 3.17Å; I184-K186 VanDerWaalsContact C-N 3.28Å; I184-K186 PolarHBondContact O-N 3.01Å; K186-K189 WeakPolarHBondContact O-CB 3.35Å; K186-K189 PolarHBondContact O-N 2.7Å |
| 187 | L | 93.4 | Very high | 91.9 | Very high | 12 Ų | 12 | 56.3 Ų | 56.3 | 6% | 0.063 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61 | -50.9 | -178.2 | -67.8 | 173 | 0 | 0 | 0 | 111.8 | S122 E123 E126 S183 I184 K189 K190 F195 | S122-L187 VanDerWaalsContact OG-CD1 3.29Å; S122-L187 WeakPolarHBondContact OG-CD1 3.21Å; E123-L187 HydrophobicContact CG-CD1 4.19Å; E123-L187 HydrophobicContact CG-CD2 4.33Å; E126-L187 HydrophobicContact CB-CD2 4.2Å; E126-L187 HydrophobicContact CG-CB 4.5Å; E126-L187 HydrophobicContact CG-CD2 4.18Å; S183-L187 WeakPolarHBondContact O-CG 3.37Å; S183-L187 PolarHBondContact O-N 3.21Å; I184-L187 HydrophobicContact CD1-CD1 4.44Å; I184-L187 PolarHBondContact O-N 3.2Å; L187-K189 PolarHBondContact O-N 2.64Å; L187-K189 VanDerWaalsContact O-N 3.08Å; L187-K190 HydrophobicContact CD2-CD 4.47Å; L187-K190 WeakPolarHBondContact O-CB 3.36Å; L187-K190 PolarHBondContact O-N 3.45Å; L187-F195 HydrophobicContact CB-CE1 4.46Å |
| 188 | G | 89.6 | Confident | 92 | Very high | 8 Ų | 8 | 55.9 Ų | 55.9 | 8% | 0.082 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.5 | -18.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | I184 K192 T197 | I184-G188 PolarHBondContact O-N 3.19Å; G188-K192 WeakPolarHBondContact O-CG 3.26Å; G188-T197 VanDerWaalsContact CA-OG1 3.31Å; G188-T197 WeakPolarHBondContact CA-OG1 3.44Å; G188-T197 PolarHBondContact N-OG1 2.81Å |
| 189 | K | 88.5 | Confident | 92.2 | Very high | 109 Ų | 109 | 55.3 Ų | 55.3 | 47% | 0.474 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -76.7 | -25.1 | 174.4 | -73.5 | 169.6 | -172 | 167.2 | 0 | 113.2 | L185 K186 L187 | L185-K189 VanDerWaalsContact O-CD 3.23Å; L185-K189 WeakPolarHBondContact O-CD 3.31Å; L185-K189 VanDerWaalsContact O-CE 3.32Å; L185-K189 WeakPolarHBondContact O-CE 3.48Å; L185-K189 VanDerWaalsContact O-CG 3.3Å; L185-K189 WeakPolarHBondContact O-CG 3.48Å; K186-K189 WeakPolarHBondContact O-CB 3.35Å; K186-K189 PolarHBondContact O-N 2.7Å; L187-K189 PolarHBondContact O-N 2.64Å; L187-K189 VanDerWaalsContact O-N 3.08Å |
| 190 | K | 87.7 | Confident | 92.3 | Very high | 126 Ų | 126 | 49.4 Ų | 49.4 | 55% | 0.548 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -70.9 | -42.7 | -179.5 | -62.2 | 175.6 | -178 | -179.7 | 0 | 112.4 | E126 L187 | E126-K190 HydrophobicContact CG-CD 4.07Å; E126-K190 VanDerWaalsContact OE1-CD 3.29Å; E126-K190 WeakPolarHBondContact OE1-CD 2.87Å; E126-K190 WeakPolarHBondContact OE2-CD 3.15Å; E126-K190 WeakPolarHBondContact OE2-CE 3.1Å; E126-K190 IonicContact OE2-NZ 3.63Å; E126-K190 PolarHBondContact OE2-NZ 3.41Å; L187-K190 HydrophobicContact CD2-CD 4.47Å; L187-K190 WeakPolarHBondContact O-CB 3.36Å; L187-K190 PolarHBondContact O-N 3.45Å |
| 191 | R | 81.7 | Confident | 92.3 | Very high | 96 Ų | 96 | 49.4 Ų | 49.4 | 36% | 0.362 | 22% | 0.221 | S | C | . | . | trans | -126.9 | 31.9 | -163.6 | -63.2 | -66.9 | -174.1 | 152.1 | 5.7 | 114.7 | E126 S129 D130 K193 K194 F195 | E126-R191 HydrophobicContact CG-CG 4.1Å; E126-R191 VanDerWaalsContact OE1-CG 3.31Å; E126-R191 WeakPolarHBondContact OE1-CG 3.42Å; E126-R191 IonicContact OE1-NE 2.61Å; S129-R191 WeakPolarHBondContact OG-CG 3.3Å; D130-R191 IonicContact OD1-CZ 3.25Å; D130-R191 IonicContact OD1-NH1 2.71Å; D130-R191 PolarHBondContact OD1-NH1 3.41Å; D130-R191 IonicContact OD2-CZ 3.75Å; D130-R191 IonicContact OD2-NH1 3.82Å; D130-R191 PolarHBondContact OD2-NH1 3.38Å; D130-R191 IonicContact OD2-NH2 2.63Å; D130-R191 PolarHBondContact OD2-NH2 2.93Å; R191-K193 PolarHBondContact O-N 2.97Å; R191-K194 PolarHBondContact O-N 2.85Å; R191-F195 CarbonylContact C-O 3.55Å; R191-F195 HydrophobicContact CB-CB 4.27Å; R191-F195 PolarHBondContact O-N 2.84Å | ||
| 192 | K | 78.6 | Confident | 92.4 | Very high | 146 Ų | 146 | 49.4 Ų | 49.4 | 64% | 0.635 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -40.4 | -25.7 | -173.2 | -60.6 | -179.5 | -178 | -179.3 | 0 | 118.1 | G188 V196 | G188-K192 WeakPolarHBondContact O-CG 3.26Å; K192-V196 VanDerWaalsContact O-CG2 3.29Å; K192-V196 WeakPolarHBondContact O-CG2 3.35Å |
| 193 | K | 83.8 | Confident | 92.3 | Very high | 197 Ų | 197 | 45.9 Ų | 45.9 | 86% | 0.857 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -33.1 | 179.7 | -69.2 | -171.3 | 176 | -175.1 | 0 | 113.7 | R191 | R191-K193 PolarHBondContact O-N 2.97Š|
| 194 | K | 90.1 | Very high | 92.2 | Very high | 75 Ų | 75 | 44.2 Ų | 44.2 | 33% | 0.326 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | -27.6 | -175.1 | -72.8 | -159.9 | 172.6 | -157.7 | 0 | 114.1 | S129 D130 F132 K135 K136 R191 | S129-K194 WeakPolarHBondContact O-CD 3.44Å; D130-K194 PolarHBondContact O-NZ 3.31Å; F132-K194 PolarHBondContact O-NZ 2.68Å; K135-K194 CarbonylContact C-O 3.43Å; K135-K194 WeakPolarHBondContact CA-O 3.38Å; K136-K194 PolarHBondContact N-O 3.19Å; R191-K194 PolarHBondContact O-N 2.85Å |
| 195 | F | 92.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 121.5 | 178.4 | -175.5 | -123 | 0 | 0 | 0 | 109.3 | L125 E126 F132 K136 F138 L187 R191 T197 | L125-F195 HydrophobicContact CB-CD2 4.5Å; L125-F195 HydrophobicContact CB-CE2 3.87Å; L125-F195 HydrophobicContact CB-CZ 3.95Å; L125-F195 HydrophobicContact CD1-CE2 4.24Å; E126-F195 HydrophobicContact CB-CD1 4.11Å; E126-F195 HydrophobicContact CB-CE1 4.1Å; E126-F195 HydrophobicContact CG-CD1 4.32Å; F132-F195 HydrophobicContact CE2-CB 4.41Å; F132-F195 HydrophobicContact CE2-CD2 4.15Å; K136-F195 HydrophobicContact CB-CD2 4.38Å; F138-F195 HydrophobicContact CB-CE2 3.81Å; F138-F195 HydrophobicContact CB-CZ 3.97Å; F138-F195 HydrophobicContact CD2-CZ 4.49Å; F138-F195 HydrophobicContact CG-CZ 4.36Å; L187-F195 HydrophobicContact CB-CE1 4.46Å; R191-F195 CarbonylContact C-O 3.55Å; R191-F195 HydrophobicContact CB-CB 4.27Å; R191-F195 PolarHBondContact O-N 2.84Å; F195-T197 HydrophobicContact CD1-CG2 4.33Å; F195-T197 HydrophobicContact CE1-CG2 3.67Å; F195-T197 HydrophobicContact CZ-CG2 3.84Å |
| 196 | V | 94.2 | Very high | 92.1 | Very high | 7 Ų | 7 | 44 Ų | 44 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 130 | 178.4 | 172.8 | 0 | 0 | 0 | 0 | 109.1 | K136 F138 K192 Y198 | K136-V196 PolarHBondContact O-N 3.44Å; K136-V196 VanDerWaalsContact O-N 3.11Å; F138-V196 PolarHBondContact N-O 2.66Å; K192-V196 VanDerWaalsContact O-CG2 3.29Å; K192-V196 WeakPolarHBondContact O-CG2 3.35Å; V196-Y198 HydrophobicContact CG1-CD2 4.35Å; V196-Y198 HydrophobicContact CG1-CE2 3.9Å |
| 197 | T | 96.6 | Very high | 92 | Very high | 4 Ų | 4 | 37.9 Ų | 37.9 | 3% | 0.025 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 143.9 | 176 | 62.5 | 0 | 0 | 0 | 0 | 110.8 | F138 I184 G188 F195 | F138-T197 HydrophobicContact CB-CG2 4.2Å; F138-T197 CarbonylContact O-C 3.58Å; F138-T197 VanDerWaalsContact O-CA 3.32Å; F138-T197 WeakPolarHBondContact O-CA 3.46Å; I184-T197 HydrophobicContact CG2-CG2 4.03Å; I184-T197 WeakPolarHBondContact O-CB 3.38Å; I184-T197 PolarHBondContact O-OG1 3.17Å; G188-T197 VanDerWaalsContact CA-OG1 3.31Å; G188-T197 WeakPolarHBondContact CA-OG1 3.44Å; G188-T197 PolarHBondContact N-OG1 2.81Å; F195-T197 HydrophobicContact CD1-CG2 4.33Å; F195-T197 HydrophobicContact CE1-CG2 3.67Å; F195-T197 HydrophobicContact CZ-CG2 3.84Å |
| 198 | Y | 97.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 150.3 | 168 | -68.5 | -80.9 | 0 | 0 | 0 | 109.9 | I137 F138 I139 L140 V196 I252 P256 P257 Q259 R260 I262 | I137-Y198 HydrophobicContact CG2-CD2 3.83Å; I137-Y198 HydrophobicContact CG2-CE2 3.89Å; F138-Y198 PolarHBondContact O-N 2.95Å; I139-Y198 HydrophobicContact CG1-CD2 4.43Å; L140-Y198 PolarHBondContact N-O 3.18Å; V196-Y198 HydrophobicContact CG1-CD2 4.35Å; V196-Y198 HydrophobicContact CG1-CE2 3.9Å; Y198-I252 HydrophobicContact CD1-CG2 4.4Å; Y198-I252 HydrophobicContact CD2-CG2 3.59Å; Y198-I252 HydrophobicContact CE1-CG2 4.27Å; Y198-I252 HydrophobicContact CE2-CG2 3.36Å; Y198-I252 HydrophobicContact CG-CG2 4.08Å; Y198-P256 WeakPolarHBondContact OH-CA 3.24Å; Y198-P256 WeakPolarHBondContact OH-CB 3.3Å; Y198-P257 HydrophobicContact CE1-CG 3.97Å; Y198-P257 WeakPolarHBondContact OH-CD 3.49Å; Y198-P257 PolarHBondContact OH-O 2.95Å; Y198-Q259 WeakPolarHBondContact CE1-O 3.3Å; Y198-R260 WeakPolarHBondContact CA-O 3.41Å; Y198-R260 PolarHBondContact OH-NH1 3.38Å; Y198-I262 HydrophobicContact CD1-CD1 4.23Å; Y198-I262 HydrophobicContact CE1-CD1 4.49Å |
| 199 | V | 97.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 118.6 | 170.2 | 176.5 | 0 | 0 | 0 | 0 | 107 | L140 T142 E181 I184 L185 R260 Y261 I262 | L140-V199 HydrophobicContact CB-CG2 4.33Å; L140-V199 HydrophobicContact CD2-CG1 4.5Å; L140-V199 HydrophobicContact CD2-CG2 4.36Å; L140-V199 CarbonylContact O-C 3.57Å; L140-V199 WeakPolarHBondContact O-CA 3.5Å; T142-V199 HydrophobicContact CG2-CG1 3.94Å; E181-V199 HydrophobicContact CB-CG1 4.2Å; E181-V199 HydrophobicContact CG-CG1 3.87Å; I184-V199 HydrophobicContact CB-CG2 4.16Å; I184-V199 HydrophobicContact CG2-CG2 3.84Å; L185-V199 HydrophobicContact CD2-CB 4.38Å; L185-V199 HydrophobicContact CD2-CG2 3.99Å; L185-V199 HydrophobicContact CG-CG2 3.85Å; V199-R260 PolarHBondContact N-O 3.06Å; V199-Y261 HydrophobicContact CB-CD2 3.82Å; V199-Y261 HydrophobicContact CB-CE2 4.34Å; V199-Y261 HydrophobicContact CG1-CD2 3.64Å; V199-Y261 HydrophobicContact CG1-CE2 3.63Å; V199-Y261 WeakPolarHBondContact O-CA 3.4Å; V199-I262 PolarHBondContact O-N 3.46Å |
| 200 | L | 97.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 109.1 | 176.9 | -53.7 | -172.7 | 0 | 0 | 0 | 107.6 | I139 L140 T142 L245 I249 I252 I262 V264 | I139-L200 HydrophobicContact CG2-CD1 3.62Å; I139-L200 HydrophobicContact CG2-CG 3.84Å; L140-L200 PolarHBondContact O-N 3.01Å; T142-L200 WeakPolarHBondContact CG2-O 3.25Å; T142-L200 PolarHBondContact N-O 2.99Å; T142-L200 VanDerWaalsContact O-O 3.1Å; L200-L245 HydrophobicContact CD1-CD1 3.84Å; L200-I249 HydrophobicContact CD1-CD1 4.32Å; L200-I249 HydrophobicContact CD1-CG1 3.79Å; L200-I252 HydrophobicContact CD1-CD1 4.23Å; L200-I252 HydrophobicContact CD2-CD1 3.66Å; L200-I262 WeakPolarHBondContact CA-O 2.98Å; L200-I262 HydrophobicContact CD2-CB 3.86Å; L200-I262 HydrophobicContact CD2-CD1 4.14Å; L200-I262 HydrophobicContact CD2-CG1 4.41Å; L200-I262 HydrophobicContact CD2-CG2 4.49Å; L200-V264 HydrophobicContact CB-CG2 4.03Å; L200-V264 HydrophobicContact CD2-CG2 4.33Å |
| 201 | A | 96.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 98.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | T142 L144 Y261 I262 V263 V264 | T142-A201 HydrophobicContact CG2-CB 4.32Å; L144-A201 HydrophobicContact CD2-CB 3.92Å; A201-Y261 HydrophobicContact CB-CE1 4.05Å; A201-Y261 HydrophobicContact CB-CE2 4.1Å; A201-Y261 WeakPolarHBondContact CB-OH 3.46Å; A201-I262 PolarHBondContact N-O 3.41Å; A201-V263 WeakPolarHBondContact O-CA 3.26Å; A201-V264 PolarHBondContact O-N 3.39Å |
| 202 | C | 96.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.007 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 149.3 | -167.9 | -57.8 | 0 | 0 | 0 | 0 | 113.3 | T142 N143 L144 F205 V264 | T142-C202 WeakPolarHBondContact O-CB 3.15Å; T142-C202 PolarHBondContact O-N 3.09Å; N143-C202 WeakPolarHBondContact CA-O 3.48Å; L144-C202 WeakPolarHBondContact CG-O 3.14Å; L144-C202 PolarHBondContact N-O 3.12Å; C202-F205 HydrophobicContact CB-CE1 3.44Å; C202-F205 VanDerWaalsContact CB-CE1 3.44Å; C202-F205 HydrophobicContact CB-CZ 3.69Å; C202-V264 CarbonylContact C-O 3.51Å; C202-V264 VanDerWaalsContact CA-O 3.28Å; C202-V264 WeakPolarHBondContact CA-O 3.34Å; C202-V264 HydrophobicContact CB-CB 4.4Å |
| 203 | G | 95 | Very high | 90.4 | Very high | 6 Ų | 6 | 16.2 Ų | 16.2 | 6% | 0.062 | 8% | 0.075 | C | C | . | . | trans | -64.9 | 179.1 | 156.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F205 P238 V264 | G203-F205 PolarHBondContact O-N 3.13Å; G203-P238 CarbonylContact C-O 3.5Å; G203-P238 WeakPolarHBondContact CA-O 3.26Å; G203-V264 PolarHBondContact N-O 2.82Å | ||
| 204 | V | 94.2 | Very high | 90.5 | Very high | 5 Ų | 5 | 7.5 Ų | 7.5 | 3% | 0.03 | 4% | 0.037 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 125.2 | 178.5 | -178 | 0 | 0 | 0 | 0 | 110 | L212 F213 L237 P238 T239 V240 I308 L309 M311 | V204-L212 HydrophobicContact CG1-CB 4.04Å; V204-L212 HydrophobicContact CG1-CD1 3.88Å; V204-F213 HydrophobicContact CB-CE2 4.28Å; V204-F213 HydrophobicContact CB-CZ 4.26Å; V204-F213 HydrophobicContact CG1-CD2 4.28Å; V204-F213 HydrophobicContact CG1-CE2 3.48Å; V204-F213 VanDerWaalsContact CG1-CE2 3.48Å; V204-F213 HydrophobicContact CG1-CZ 3.64Å; V204-L237 HydrophobicContact CG2-CD1 3.76Å; V204-L237 HydrophobicContact CG2-CD2 4.11Å; V204-L237 HydrophobicContact CG2-CG 3.98Å; V204-P238 PolarHBondContact N-O 2.97Å; V204-T239 HydrophobicContact CB-CG2 4.37Å; V204-T239 WeakPolarHBondContact O-CA 3.28Å; V204-V240 PolarHBondContact O-N 2.87Å; V204-I308 HydrophobicContact CG2-CG2 3.65Å; V204-L309 HydrophobicContact CG1-CD2 4.36Å; V204-M311 HydrophobicContact CG2-CE 4.32Å |
| 205 | F | 94.5 | Very high | 90.1 | Very high | 3 Ų | 3 | 4.9 Ų | 4.9 | 1% | 0.013 | 3% | 0.026 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 140.8 | 179.6 | -53.7 | -44.8 | 0 | 0 | 0 | 112.9 | F20 V21 T109 V141 C202 G203 Y211 V240 I242 L245 | F20-F205 HydrophobicContact CE1-CB 4.15Å; V21-F205 HydrophobicContact CG1-CE2 4.32Å; V21-F205 HydrophobicContact CG2-CD2 3.63Å; V21-F205 HydrophobicContact CG2-CE2 3.57Å; T109-F205 HydrophobicContact CG2-CE2 3.78Å; T109-F205 HydrophobicContact CG2-CZ 3.93Å; V141-F205 HydrophobicContact CG1-CE2 4.48Å; V141-F205 HydrophobicContact CG1-CZ 3.83Å; C202-F205 HydrophobicContact CB-CE1 3.44Å; C202-F205 VanDerWaalsContact CB-CE1 3.44Å; C202-F205 HydrophobicContact CB-CZ 3.69Å; G203-F205 PolarHBondContact O-N 3.13Å; F205-Y211 HydrophobicContact CB-CD1 3.8Å; F205-Y211 HydrophobicContact CB-CE1 4.42Å; F205-Y211 HydrophobicContact CB-CG 4.31Å; F205-Y211 AromaticContact CD2-CD1 3.82Å; F205-Y211 HydrophobicContact CD2-CD1 3.82Å; F205-Y211 AromaticContact CD2-CE1 3.56Å; F205-Y211 HydrophobicContact CD2-CE1 3.56Å; F205-Y211 HydrophobicContact CE2-CE1 4.34Å; F205-Y211 HydrophobicContact CG-CD1 4.27Å; F205-Y211 HydrophobicContact CG-CE1 4.42Å; F205-V240 WeakPolarHBondContact CA-O 3.45Å; F205-V240 HydrophobicContact CD1-CG1 3.53Å; F205-V240 HydrophobicContact CE1-CG1 3.74Å; F205-I242 HydrophobicContact CG-CD1 4.38Å; F205-L245 HydrophobicContact CD1-CD2 4.48Å; F205-L245 HydrophobicContact CE1-CD2 3.6Å; F205-L245 HydrophobicContact CZ-CD2 3.68Å |
| 206 | Y | 94 | Very high | 89.9 | Confident | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 3% | 0.026 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 173.6 | 170.6 | 66.8 | -87.5 | 0 | 0 | 0 | 111.2 | T239 V240 H241 I242 D266 S330 I334 L341 | Y206-T239 HydrophobicContact CD1-CG2 4.42Å; Y206-V240 VanDerWaalsContact CD1-C 3.46Å; Y206-V240 VanDerWaalsContact CD1-O 3.31Å; Y206-V240 WeakPolarHBondContact CD1-O 3.21Å; Y206-V240 PolarHBondContact N-O 3.1Å; Y206-H241 AromaticContact CD2-CD2 3.78Å; Y206-H241 HydrophobicContact CE1-CB 4.46Å; Y206-H241 VanDerWaalsContact CE1-N 3.32Å; Y206-H241 HydrophobicContact CE2-CB 3.97Å; Y206-H241 AromaticContact CE2-CD2 3.68Å; Y206-I242 PolarHBondContact O-N 2.84Å; Y206-D266 WeakPolarHBondContact CE1-OD2 3.23Å; Y206-D266 PolarHBondContact OH-OD2 2.77Å; Y206-S330 VanDerWaalsContact OH-CB 3.23Å; Y206-S330 WeakPolarHBondContact OH-CB 3.38Å; Y206-S330 PolarHBondContact OH-O 3.29Å; Y206-I334 HydrophobicContact CD1-CD1 3.81Å; Y206-I334 HydrophobicContact CD1-CG1 3.66Å; Y206-I334 HydrophobicContact CD2-CD1 4.39Å; Y206-I334 HydrophobicContact CD2-CG1 3.71Å; Y206-I334 HydrophobicContact CE1-CD1 4.41Å; Y206-I334 HydrophobicContact CE1-CG1 3.85Å; Y206-I334 HydrophobicContact CE2-CG1 3.92Å; Y206-I334 HydrophobicContact CG-CD1 3.79Å; Y206-I334 HydrophobicContact CG-CG1 3.57Å; Y206-L341 HydrophobicContact CD2-CD1 3.56Å; Y206-L341 HydrophobicContact CD2-CD2 3.58Å; Y206-L341 HydrophobicContact CD2-CG 4.22Å; Y206-L341 HydrophobicContact CE2-CD1 3.88Å; Y206-L341 HydrophobicContact CE2-CD2 3.91Å; Y206-L341 HydrophobicContact CE2-CG 4.48Å |
| 207 | G | 90.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 4.6 Ų | 4.6 | 0% | 0 | 2% | 0.024 | C | C | . | . | S | Bend | trans | 89.6 | 167.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | F20 G209 E210 H241 | F20-G207 WeakPolarHBondContact CE2-O 3.37Å; F20-G207 VanDerWaalsContact CZ-O 3.29Å; F20-G207 WeakPolarHBondContact CZ-O 2.97Å; G207-G209 VanDerWaalsContact C-N 3.32Å; G207-G209 PolarHBondContact O-N 3.29Å; G207-E210 PolarHBondContact N-OE2 3.44Å; G207-E210 PolarHBondContact O-N 3.28Å; G207-H241 WeakPolarHBondContact CA-NE2 3.27Å |
| 208 | C | 86.2 | Confident | 88.8 | Confident | 3 Ų | 3 | 7.6 Ų | 7.6 | 2% | 0.02 | 4% | 0.037 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 49 | 177.1 | -61.2 | 0 | 0 | 0 | 0 | 113.5 | I242 E344 | C208-I242 HydrophobicContact CB-CG2 4.01Å; C208-E344 PolarHBondContact N-OE2 3.28Å |
| 209 | G | 69 | Low | 87.9 | Confident | 4 Ų | 4 | 9.6 Ų | 9.6 | 4% | 0.041 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.2 | 9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | G207 H349 | G207-G209 VanDerWaalsContact C-N 3.32Å; G207-G209 PolarHBondContact O-N 3.29Å; G209-H349 PolarHBondContact O-NE2 2.83Å |
| 210 | E | 71.2 | Confident | 87.2 | Confident | 3 Ų | 3 | 9.6 Ų | 9.6 | 1% | 0.014 | 5% | 0.046 | C | C | . | . | trans | 49.4 | 125.1 | -176 | -22.5 | -42.3 | 124.4 | 0 | 0 | 118 | G207 F213 Q214 F217 F345 | G207-E210 PolarHBondContact N-OE2 3.44Å; G207-E210 PolarHBondContact O-N 3.28Å; E210-F213 HydrophobicContact CB-CB 4.16Å; E210-Q214 VanDerWaalsContact O-CB 3.23Å; E210-Q214 WeakPolarHBondContact O-CB 3.45Å; E210-Q214 WeakPolarHBondContact O-CG 3.42Å; E210-F217 HydrophobicContact CB-CD2 4.43Å; E210-F217 HydrophobicContact CG-CB 4.08Å; E210-F217 HydrophobicContact CG-CD1 3.36Å; E210-F217 HydrophobicContact CG-CD2 3.56Å; E210-F217 HydrophobicContact CG-CE1 3.52Å; E210-F217 HydrophobicContact CG-CE2 3.65Å; E210-F217 HydrophobicContact CG-CG 3.4Å; E210-F217 VanDerWaalsContact CG-CG 3.4Å; E210-F217 HydrophobicContact CG-CZ 3.66Å; E210-F217 WeakPolarHBondContact OE1-CE1 3.43Å; E210-F345 HydrophobicContact CG-CD2 3.73Å; E210-F345 HydrophobicContact CG-CE2 4.16Å; E210-F345 WeakPolarHBondContact OE1-CB 3.25Å | ||
| 211 | Y | 83.4 | Confident | 86.2 | Confident | 27 Ų | 27 | 11 Ų | 11 | 11% | 0.106 | 5% | 0.051 | C | C | . | . | S | Bend | trans | -78.6 | -96.9 | 177.9 | -174.1 | -126.1 | 0 | 0 | 0 | 113.2 | F20 V21 T109 I110 F205 F213 Q214 | F20-Y211 HydrophobicContact CB-CD2 3.62Å; F20-Y211 HydrophobicContact CB-CE2 3.89Å; F20-Y211 AromaticContact CD1-CD2 3.31Å; F20-Y211 HydrophobicContact CD1-CD2 3.31Å; F20-Y211 AromaticContact CD1-CE2 3.86Å; F20-Y211 HydrophobicContact CD1-CE2 3.86Å; F20-Y211 AromaticContact CD1-CG 3.7Å; F20-Y211 HydrophobicContact CD1-CG 3.7Å; F20-Y211 HydrophobicContact CD2-CD2 4.3Å; F20-Y211 HydrophobicContact CE1-CD2 4.05Å; F20-Y211 AromaticContact CE1-CG 3.96Å; F20-Y211 HydrophobicContact CE1-CG 3.96Å; F20-Y211 AromaticContact CG-CD2 3.48Å; F20-Y211 HydrophobicContact CG-CD2 3.48Å; F20-Y211 VanDerWaalsContact CG-CD2 3.48Å; F20-Y211 HydrophobicContact CG-CE2 4.14Å; F20-Y211 HydrophobicContact CG-CG 4.17Å; V21-Y211 HydrophobicContact CG2-CE2 4.05Å; T109-Y211 PolarHBondContact OG1-OH 3.37Å; T109-Y211 VanDerWaalsContact OG1-OH 3.05Å; I110-Y211 HydrophobicContact CD1-CD1 4.36Å; I110-Y211 HydrophobicContact CD1-CE1 3.51Å; I110-Y211 HydrophobicContact CD1-CE2 3.94Å; I110-Y211 VanDerWaalsContact CD1-OH 3.26Å; I110-Y211 WeakPolarHBondContact CD1-OH 3.21Å; I110-Y211 HydrophobicContact CG1-CE1 4.07Å; I110-Y211 VanDerWaalsContact CG1-OH 3.3Å; I110-Y211 WeakPolarHBondContact CG1-OH 3.33Å; F205-Y211 HydrophobicContact CB-CD1 3.8Å; F205-Y211 HydrophobicContact CB-CE1 4.42Å; F205-Y211 HydrophobicContact CB-CG 4.31Å; F205-Y211 AromaticContact CD2-CD1 3.82Å; F205-Y211 HydrophobicContact CD2-CD1 3.82Å; F205-Y211 AromaticContact CD2-CE1 3.56Å; F205-Y211 HydrophobicContact CD2-CE1 3.56Å; F205-Y211 HydrophobicContact CE2-CE1 4.34Å; F205-Y211 HydrophobicContact CG-CD1 4.27Å; F205-Y211 HydrophobicContact CG-CE1 4.42Å; Y211-F213 VanDerWaalsContact C-N 3.27Å; Y211-F213 PolarHBondContact O-N 2.71Å; Y211-Q214 WeakPolarHBondContact O-CB 3.43Å; Y211-Q214 PolarHBondContact O-N 3.5Å |
| 212 | L | 86.2 | Confident | 84.8 | Confident | 6 Ų | 6 | 12.7 Ų | 12.7 | 3% | 0.031 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -27.5 | -179.9 | -78.3 | 163.3 | 0 | 0 | 0 | 112.5 | I110 V204 Q214 H215 I305 I308 | I110-L212 HydrophobicContact CD1-CD1 4.23Å; I110-L212 HydrophobicContact CD1-CD2 3.64Å; I110-L212 HydrophobicContact CD1-CG 3.91Å; V204-L212 HydrophobicContact CG1-CB 4.04Å; V204-L212 HydrophobicContact CG1-CD1 3.88Å; L212-Q214 VanDerWaalsContact C-N 3.29Å; L212-Q214 PolarHBondContact O-N 2.78Å; L212-H215 PolarHBondContact O-CE1 3.47Å; L212-H215 PolarHBondContact O-ND1 3.34Å; L212-I305 HydrophobicContact CD2-CB 4.21Å; L212-I305 HydrophobicContact CD2-CD1 3.61Å; L212-I305 HydrophobicContact CD2-CG1 3.55Å; L212-I305 HydrophobicContact CD2-CG2 4.17Å; L212-I308 HydrophobicContact CD1-CD1 4.21Å; L212-I308 HydrophobicContact CD1-CG2 3.87Å |
| 213 | F | 89.7 | Confident | 83.1 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -4.3 | 177.9 | -57.7 | -69.7 | 0 | 0 | 0 | 114.3 | V204 E210 Y211 H215 L216 F217 L237 T239 I275 L309 I334 | V204-F213 HydrophobicContact CB-CE2 4.28Å; V204-F213 HydrophobicContact CB-CZ 4.26Å; V204-F213 HydrophobicContact CG1-CD2 4.28Å; V204-F213 HydrophobicContact CG1-CE2 3.48Å; V204-F213 VanDerWaalsContact CG1-CE2 3.48Å; V204-F213 HydrophobicContact CG1-CZ 3.64Å; E210-F213 HydrophobicContact CB-CB 4.16Å; Y211-F213 VanDerWaalsContact C-N 3.27Å; Y211-F213 PolarHBondContact O-N 2.71Å; F213-H215 PolarHBondContact O-N 2.96Å; F213-H215 VanDerWaalsContact O-N 3.11Å; F213-L216 HydrophobicContact CD1-CD1 4.18Å; F213-L216 WeakPolarHBondContact O-CB 3.43Å; F213-L216 PolarHBondContact O-N 2.81Å; F213-F217 HydrophobicContact CB-CD2 4.23Å; F213-F217 HydrophobicContact CB-CE2 4.24Å; F213-F217 PolarHBondContact O-N 3.05Å; F213-F217 VanDerWaalsContact O-N 3.17Å; F213-L237 HydrophobicContact CE1-CD2 4.19Å; F213-L237 HydrophobicContact CZ-CD2 3.97Å; F213-T239 HydrophobicContact CE2-CG2 4.37Å; F213-T239 HydrophobicContact CZ-CG2 4.15Å; F213-I275 HydrophobicContact CD1-CG2 4.48Å; F213-I275 HydrophobicContact CE1-CG2 3.98Å; F213-I275 HydrophobicContact CZ-CG2 4.38Å; F213-L309 HydrophobicContact CD1-CD2 4.19Å; F213-L309 HydrophobicContact CE1-CD2 3.65Å; F213-L309 HydrophobicContact CZ-CD2 4.19Å; F213-I334 HydrophobicContact CD2-CD1 4Å; F213-I334 HydrophobicContact CE1-CD1 4.48Å; F213-I334 HydrophobicContact CE2-CD1 3.42Å; F213-I334 VanDerWaalsContact CE2-CD1 3.42Å; F213-I334 HydrophobicContact CZ-CD1 3.69Å |
| 214 | Q | 86.1 | Confident | 81.5 | Confident | 14 Ų | 14 | 16.8 Ų | 16.8 | 7% | 0.065 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -54.1 | -37.5 | -174.5 | -152.4 | -172.6 | 17.8 | 0 | 0 | 113.5 | E210 Y211 L212 F217 K218 F345 P865 I867 | E210-Q214 VanDerWaalsContact O-CB 3.23Å; E210-Q214 WeakPolarHBondContact O-CB 3.45Å; E210-Q214 WeakPolarHBondContact O-CG 3.42Å; Y211-Q214 WeakPolarHBondContact O-CB 3.43Å; Y211-Q214 PolarHBondContact O-N 3.5Å; L212-Q214 VanDerWaalsContact C-N 3.29Å; L212-Q214 PolarHBondContact O-N 2.78Å; Q214-F217 PolarHBondContact O-N 3.21Å; Q214-K218 WeakPolarHBondContact O-CB 3.42Å; Q214-K218 PolarHBondContact O-N 3.02Å; Q214-F345 HydrophobicContact CG-CE2 4.45Å; Q214-P865 PolarHBondContact OE1-O 3.07Å; Q214-I867 HydrophobicContact CB-CG1 4.07Å |
| 215 | H | 82.7 | Confident | 80.1 | Confident | 20 Ų | 20 | 20.9 Ų | 20.9 | 9% | 0.093 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.5 | -38.5 | 177.8 | 61.5 | -69.8 | 0 | 0 | 0 | 112.5 | L212 F213 K218 E219 Y230 I867 | L212-H215 PolarHBondContact O-CE1 3.47Å; L212-H215 PolarHBondContact O-ND1 3.34Å; F213-H215 PolarHBondContact O-N 2.96Å; F213-H215 VanDerWaalsContact O-N 3.11Å; H215-K218 PolarHBondContact O-N 3.44Å; H215-E219 VanDerWaalsContact O-CB 3.23Å; H215-E219 WeakPolarHBondContact O-CB 3.42Å; H215-E219 PolarHBondContact O-N 2.94Å; H215-Y230 PolarHBondContact CD2-OH 2.86Å; H215-Y230 AromaticContact NE2-CE2 3.82Å; H215-Y230 AromaticContact NE2-CZ 3.84Å; H215-Y230 PolarHBondContact NE2-OH 3.44Å; H215-I867 HydrophobicContact CB-CD1 3.59Å; H215-I867 HydrophobicContact CB-CG1 4.36Å; H215-I867 WeakPolarHBondContact ND1-CD1 3.41Å |
| 216 | L | 87.9 | Confident | 79.5 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -68.2 | -46 | 177.5 | -60.8 | 178.2 | 0 | 0 | 0 | 110.7 | F213 K218 E219 A220 P228 V276 I279 | F213-L216 HydrophobicContact CD1-CD1 4.18Å; F213-L216 WeakPolarHBondContact O-CB 3.43Å; F213-L216 PolarHBondContact O-N 2.81Å; L216-K218 VanDerWaalsContact C-N 3.32Å; L216-K218 PolarHBondContact O-N 3.21Å; L216-E219 PolarHBondContact O-N 2.85Å; L216-A220 VanDerWaalsContact O-CB 3.24Å; L216-A220 WeakPolarHBondContact O-CB 3.38Å; L216-A220 PolarHBondContact O-N 3.44Å; L216-P228 HydrophobicContact CD2-CG 3.77Å; L216-V276 HydrophobicContact CD1-CG2 3.9Å; L216-I279 HydrophobicContact CB-CD1 4.39Å; L216-I279 HydrophobicContact CB-CG2 4.4Å; L216-I279 HydrophobicContact CD1-CD1 4.1Å |
| 217 | F | 88 | Confident | 79.1 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 0% | 0.004 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.9 | -41.7 | 176 | -84 | -121.6 | 0 | 0 | 0 | 111.3 | E210 F213 Q214 W221 I279 L283 I338 L341 I342 F345 | E210-F217 HydrophobicContact CB-CD2 4.43Å; E210-F217 HydrophobicContact CG-CB 4.08Å; E210-F217 HydrophobicContact CG-CD1 3.36Å; E210-F217 HydrophobicContact CG-CD2 3.56Å; E210-F217 HydrophobicContact CG-CE1 3.52Å; E210-F217 HydrophobicContact CG-CE2 3.65Å; E210-F217 HydrophobicContact CG-CG 3.4Å; E210-F217 VanDerWaalsContact CG-CG 3.4Å; E210-F217 HydrophobicContact CG-CZ 3.66Å; E210-F217 WeakPolarHBondContact OE1-CE1 3.43Å; F213-F217 HydrophobicContact CB-CD2 4.23Å; F213-F217 HydrophobicContact CB-CE2 4.24Å; F213-F217 PolarHBondContact O-N 3.05Å; F213-F217 VanDerWaalsContact O-N 3.17Å; Q214-F217 PolarHBondContact O-N 3.21Å; F217-W221 WeakPolarHBondContact O-CB 3.32Å; F217-W221 PolarHBondContact O-N 3.06Å; F217-I279 HydrophobicContact CD2-CD1 3.98Å; F217-I279 HydrophobicContact CD2-CG1 4.11Å; F217-I279 HydrophobicContact CD2-CG2 3.63Å; F217-I279 HydrophobicContact CE2-CB 4.3Å; F217-I279 HydrophobicContact CE2-CD1 3.51Å; F217-I279 HydrophobicContact CE2-CG1 3.47Å; F217-I279 VanDerWaalsContact CE2-CG1 3.47Å; F217-I279 HydrophobicContact CE2-CG2 3.82Å; F217-I279 HydrophobicContact CG-CG2 4.23Å; F217-I279 HydrophobicContact CZ-CG1 4.1Å; F217-L283 HydrophobicContact CB-CD1 3.96Å; F217-L283 HydrophobicContact CD1-CD1 3.51Å; F217-L283 HydrophobicContact CE1-CD1 4.12Å; F217-L283 HydrophobicContact CG-CD1 3.72Å; F217-I338 HydrophobicContact CZ-CD1 4.1Å; F217-L341 HydrophobicContact CZ-CB 4.47Å; F217-I342 HydrophobicContact CE1-CG1 4.39Å; F217-F345 HydrophobicContact CB-CD2 4.18Å; F217-F345 HydrophobicContact CB-CE1 4.23Å; F217-F345 HydrophobicContact CB-CE2 3.74Å; F217-F345 HydrophobicContact CB-CZ 3.77Å; F217-F345 HydrophobicContact CD1-CB 4.1Å; F217-F345 HydrophobicContact CD1-CD1 4.24Å; F217-F345 AromaticContact CD1-CD2 3.8Å; F217-F345 HydrophobicContact CD1-CD2 3.8Å; F217-F345 HydrophobicContact CD1-CE2 4.25Å; F217-F345 AromaticContact CD1-CG 3.79Å; F217-F345 HydrophobicContact CD1-CG 3.79Å; F217-F345 HydrophobicContact CE1-CB 4.37Å; F217-F345 HydrophobicContact CG-CD2 4.35Å; F217-F345 HydrophobicContact CG-CE2 4.38Å |
| 218 | K | 80.3 | Confident | 79 | Confident | 67 Ų | 67 | 23.8 Ų | 23.8 | 29% | 0.291 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -65.7 | -42.9 | 175.6 | 179.5 | 173.8 | -178.5 | 175.8 | 0 | 112.8 | Q214 H215 L216 S222 L864 | Q214-K218 WeakPolarHBondContact O-CB 3.42Å; Q214-K218 PolarHBondContact O-N 3.02Å; H215-K218 PolarHBondContact O-N 3.44Å; L216-K218 VanDerWaalsContact C-N 3.32Å; L216-K218 PolarHBondContact O-N 3.21Å; K218-S222 WeakPolarHBondContact O-CB 3.42Å; K218-S222 PolarHBondContact O-N 3.16Å; K218-S222 PolarHBondContact O-OG 2.83Å; K218-L864 HydrophobicContact CB-CD1 3.99Å; K218-L864 HydrophobicContact CD-CB 3.82Å; K218-L864 HydrophobicContact CD-CD1 4.38Å; K218-L864 WeakPolarHBondContact CE-O 3.44Å; K218-L864 HydrophobicContact CG-CB 4.18Å; K218-L864 HydrophobicContact CG-CD1 3.8Å; K218-L864 PolarHBondContact NZ-O 3.11Å |
| 219 | E | 79.3 | Confident | 79.2 | Confident | 41 Ų | 41 | 23.9 Ų | 23.9 | 19% | 0.192 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.4 | -45.4 | 177.6 | -170.5 | 165.3 | -168.6 | 0 | 0 | 110.1 | H215 L216 S222 T223 L227 P228 K299 | H215-E219 VanDerWaalsContact O-CB 3.23Å; H215-E219 WeakPolarHBondContact O-CB 3.42Å; H215-E219 PolarHBondContact O-N 2.94Å; L216-E219 PolarHBondContact O-N 2.85Å; E219-S222 PolarHBondContact O-N 2.82Å; E219-T223 PolarHBondContact O-N 2.81Å; E219-T223 PolarHBondContact O-OG1 2.67Å; E219-L227 HydrophobicContact CB-CD2 3.93Å; E219-L227 HydrophobicContact CG-CD2 3.98Å; E219-P228 WeakPolarHBondContact OE2-CD 3.15Å; E219-K299 IonicContact OE1-NZ 3.95Å; E219-K299 PolarHBondContact OE1-NZ 3.38Å; E219-K299 IonicContact OE2-NZ 3.93Å; E219-K299 PolarHBondContact OE2-NZ 3.4Å |
| 220 | A | 81.6 | Confident | 80.1 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.4 | -49.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L216 S222 L227 I279 L283 | L216-A220 VanDerWaalsContact O-CB 3.24Å; L216-A220 WeakPolarHBondContact O-CB 3.38Å; L216-A220 PolarHBondContact O-N 3.44Å; A220-S222 VanDerWaalsContact C-N 3.34Å; A220-S222 PolarHBondContact O-N 3.38Å; A220-L227 HydrophobicContact CB-CD1 3.98Å; A220-L227 HydrophobicContact CB-CD2 3.95Å; A220-L227 HydrophobicContact CB-CG 4.38Å; A220-I279 HydrophobicContact CB-CG2 4.45Å; A220-L283 HydrophobicContact CB-CB 3.72Å; A220-L283 HydrophobicContact CB-CD1 3.95Å |
| 221 | W | 76.7 | Confident | 80.8 | Confident | 29 Ų | 29 | 26.2 Ų | 26.2 | 11% | 0.11 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.4 | -34.5 | 178.7 | -172.2 | -83.4 | 0 | 0 | 0 | 112.9 | F217 L283 I346 L351 N570 Q571 | F217-W221 WeakPolarHBondContact O-CB 3.32Å; F217-W221 PolarHBondContact O-N 3.06Å; W221-L283 HydrophobicContact CE3-CD2 3.97Å; W221-L283 HydrophobicContact CZ3-CD2 4.3Å; W221-I346 HydrophobicContact CH2-CD1 4.03Å; W221-I346 HydrophobicContact CH2-CG1 3.73Å; W221-I346 HydrophobicContact CZ3-CD1 3.79Å; W221-I346 HydrophobicContact CZ3-CG1 3.55Å; W221-L351 HydrophobicContact CD2-CD1 3.94Å; W221-L351 HydrophobicContact CE3-CD1 4.19Å; W221-L351 HydrophobicContact CH2-CB 4.02Å; W221-L351 HydrophobicContact CH2-CD1 4.18Å; W221-L351 HydrophobicContact CZ2-CB 3.69Å; W221-L351 HydrophobicContact CZ2-CD1 3.9Å; W221-L351 HydrophobicContact CZ2-CG 4.33Å; W221-L351 HydrophobicContact CZ3-CD1 4.31Å; W221-N570 HydrophobicContact CE3-CB 3.98Å; W221-N570 HydrophobicContact CH2-CB 3.64Å; W221-N570 WeakPolarHBondContact CH2-O 3.22Å; W221-N570 HydrophobicContact CZ2-CB 4.23Å; W221-N570 WeakPolarHBondContact CZ2-O 3.44Å; W221-N570 HydrophobicContact CZ3-CB 3.5Å; W221-N570 VanDerWaalsContact CZ3-CB 3.5Å; W221-Q571 VanDerWaalsContact O-CD 3.28Å; W221-Q571 WeakPolarHBondContact O-CG 3.36Å; W221-Q571 PolarHBondContact O-NE2 2.95Å |
| 222 | S | 68 | Low | 81.1 | Confident | 36 Ų | 36 | 28.8 Ų | 28.8 | 25% | 0.252 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -94.7 | -31.5 | -167.1 | -58.9 | 0 | 0 | 0 | 0 | 115.6 | K218 E219 A220 | K218-S222 WeakPolarHBondContact O-CB 3.42Å; K218-S222 PolarHBondContact O-N 3.16Å; K218-S222 PolarHBondContact O-OG 2.83Å; E219-S222 PolarHBondContact O-N 2.82Å; A220-S222 VanDerWaalsContact C-N 3.34Å; A220-S222 PolarHBondContact O-N 3.38Å |
| 223 | T | 61.2 | Low | 81.2 | Confident | 64 Ų | 64 | 28.5 Ų | 28.5 | 39% | 0.393 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -124.9 | -23.9 | -163.2 | 59.6 | 0 | 0 | 0 | 0 | 115 | E219 N225 | E219-T223 PolarHBondContact O-N 2.81Å; E219-T223 PolarHBondContact O-OG1 2.67Å; T223-N225 PolarHBondContact O-N 3.19Å; T223-N225 VanDerWaalsContact O-N 3.08Å; T223-N225 PolarHBondContact OG1-N 3.28Å |
| 224 | Q | 60.8 | Low | 81.4 | Confident | 29 Ų | 29 | 35 Ų | 35 | 14% | 0.136 | 18% | 0.177 | C | C | . | . | trans | 56.1 | 14.5 | -169.1 | -63.9 | 176.6 | 5 | 0 | 0 | 114.9 | S284 N285 H380 P567 | Q224-S284 WeakPolarHBondContact CA-OG 3.49Å; Q224-N285 PolarHBondContact O-ND2 2.97Å; Q224-H380 PolarHBondContact NE2-CE1 2.71Å; Q224-H380 PolarHBondContact NE2-NE2 3.07Å; Q224-H380 PolarHBondContact OE1-CE1 2.66Å; Q224-P567 VanDerWaalsContact NE2-CA 3.33Å | ||
| 225 | N | 65.5 | Low | 81.7 | Confident | 91 Ų | 91 | 34.9 Ų | 34.9 | 49% | 0.487 | 18% | 0.177 | S | C | . | . | P | Polyproline II helix | trans | -69.8 | 161.6 | 171.1 | -67.8 | -13.8 | 0 | 0 | 0 | 110.4 | T223 L227 | T223-N225 PolarHBondContact O-N 3.19Å; T223-N225 VanDerWaalsContact O-N 3.08Å; T223-N225 PolarHBondContact OG1-N 3.28Å; N225-L227 PolarHBondContact O-N 3.4Å |
| 226 | E | 81.1 | Confident | 82.2 | Confident | 65 Ų | 65 | 34.7 Ų | 34.7 | 30% | 0.304 | 18% | 0.176 | S | C | . | . | P | Polyproline II helix | trans | -51.7 | 122.4 | 167.3 | 56.2 | -171.9 | -171 | 0 | 0 | 111.6 | V287 R289 | E226-V287 HydrophobicContact CB-CG1 3.95Å; E226-R289 HydrophobicContact CB-CB 4.08Å; E226-R289 HydrophobicContact CG-CB 3.99Å; E226-R289 WeakPolarHBondContact OE1-CD 3.41Å; E226-R289 IonicContact OE1-CZ 2.66Å; E226-R289 IonicContact OE1-NE 3.71Å; E226-R289 IonicContact OE1-NH1 3.31Å; E226-R289 PolarHBondContact OE1-NH1 3.47Å; E226-R289 WeakPolarHBondContact OE2-CB 3.19Å; E226-R289 WeakPolarHBondContact OE2-CD 3.46Å |
| 227 | L | 86.5 | Confident | 82.5 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 142.3 | 175.7 | -66.4 | -170.4 | 0 | 0 | 0 | 111.3 | E219 A220 N225 I229 V276 I279 V287 T288 R289 | E219-L227 HydrophobicContact CB-CD2 3.93Å; E219-L227 HydrophobicContact CG-CD2 3.98Å; A220-L227 HydrophobicContact CB-CD1 3.98Å; A220-L227 HydrophobicContact CB-CD2 3.95Å; A220-L227 HydrophobicContact CB-CG 4.38Å; N225-L227 PolarHBondContact O-N 3.4Å; L227-I229 PolarHBondContact O-N 3.17Å; L227-V276 HydrophobicContact CB-CG1 3.65Å; L227-V276 HydrophobicContact CD1-CG1 4.3Å; L227-I279 HydrophobicContact CD1-CB 4.27Å; L227-I279 HydrophobicContact CD1-CG2 3.88Å; L227-V287 PolarHBondContact N-O 3.39Å; L227-T288 HydrophobicContact CB-CG2 4.32Å; L227-T288 WeakPolarHBondContact O-CA 3.4Å; L227-R289 PolarHBondContact O-N 3.4Å |
| 228 | P | 87.7 | Confident | 82.8 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 121.9 | 178.5 | 32.2 | -35.4 | 0 | 0 | 0 | 111.6 | L216 E219 Y230 Y291 K299 | L216-P228 HydrophobicContact CD2-CG 3.77Å; E219-P228 WeakPolarHBondContact OE2-CD 3.15Å; P228-Y230 HydrophobicContact CB-CD1 4.5Å; P228-Y230 HydrophobicContact CB-CE1 3.85Å; P228-Y230 HydrophobicContact CG-CE1 4.14Å; P228-Y291 HydrophobicContact CB-CD1 4.49Å; P228-Y291 HydrophobicContact CB-CD2 3.6Å; P228-Y291 HydrophobicContact CB-CE2 3.74Å; P228-Y291 HydrophobicContact CB-CG 4.03Å; P228-K299 HydrophobicContact CB-CD 4.42Å; P228-K299 HydrophobicContact CG-CD 4.43Å |
| 229 | I | 89.6 | Confident | 83.6 | Confident | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 120.5 | 160.9 | -64.5 | 169.9 | 0 | 0 | 0 | 106.6 | L227 V276 T288 R289 I290 Y291 | L227-I229 PolarHBondContact O-N 3.17Å; I229-V276 HydrophobicContact CG1-CB 3.92Å; I229-V276 HydrophobicContact CG1-CG1 3.74Å; I229-V276 HydrophobicContact CG1-CG2 4.35Å; I229-T288 HydrophobicContact CD1-CG2 4.38Å; I229-T288 WeakPolarHBondContact CD1-OG1 3.01Å; I229-R289 PolarHBondContact N-O 2.95Å; I229-I290 HydrophobicContact CB-CG1 4.38Å; I229-I290 HydrophobicContact CG2-CG1 4.33Å; I229-Y291 PolarHBondContact O-N 2.87Å |
| 230 | Y | 88.4 | Confident | 84.3 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 128.6 | -179.5 | -57.9 | -51.8 | 0 | 0 | 0 | 111.4 | H215 P228 G233 L272 M296 I301 L309 | H215-Y230 PolarHBondContact CD2-OH 2.86Å; H215-Y230 AromaticContact NE2-CE2 3.82Å; H215-Y230 AromaticContact NE2-CZ 3.84Å; H215-Y230 PolarHBondContact NE2-OH 3.44Å; P228-Y230 HydrophobicContact CB-CD1 4.5Å; P228-Y230 HydrophobicContact CB-CE1 3.85Å; P228-Y230 HydrophobicContact CG-CE1 4.14Å; Y230-G233 PolarHBondContact O-N 3.09Å; Y230-L272 HydrophobicContact CD2-CD2 4.2Å; Y230-M296 HydrophobicContact CD1-CE 3.82Å; Y230-M296 HydrophobicContact CD1-CG 3.8Å; Y230-M296 HydrophobicContact CD1-SD 4.06Å; Y230-M296 HydrophobicContact CG-CE 3.9Å; Y230-M296 HydrophobicContact CG-SD 4.37Å; Y230-I301 HydrophobicContact CE1-CD1 4.42Å; Y230-I301 WeakPolarHBondContact OH-CD1 3.41Å; Y230-L309 HydrophobicContact CD2-CB 4.4Å; Y230-L309 HydrophobicContact CD2-CD1 4.24Å; Y230-L309 HydrophobicContact CE2-CD1 3.88Å |
| 231 | L | 86.7 | Confident | 85 | Confident | 55 Ų | 55 | 29.6 Ų | 29.6 | 29% | 0.288 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | -145.9 | -171.6 | -47.5 | 176.9 | 0 | 0 | 0 | 110 | G233 I290 Y291 Q293 M296 T310 | L231-G233 PolarHBondContact O-N 3.39Å; L231-I290 WeakPolarHBondContact O-CG2 3.05Å; L231-Y291 WeakPolarHBondContact CA-O 3.46Å; L231-Y291 PolarHBondContact N-O 3.23Å; L231-Q293 HydrophobicContact CD2-CG 3.62Å; L231-M296 HydrophobicContact CD2-SD 3.8Å; L231-M296 HydrophobicContact CG-SD 4.14Å; L231-T310 HydrophobicContact CD1-CG2 3.82Å; L231-T310 HydrophobicContact CG-CG2 4.23Å |
| 232 | N | 88.5 | Confident | 85.8 | Confident | 81 Ų | 81 | 28.2 Ų | 28.2 | 43% | 0.433 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -18.3 | 173.6 | 58.4 | -12.5 | 0 | 0 | 0 | 113.6 | E234 | N232-E234 HydrophobicContact CB-CG 4.08Å; N232-E234 PolarHBondContact ND2-OE2 3.46Å; N232-E234 PolarHBondContact O-N 3.14Å |
| 233 | G | 89 | Confident | 87.1 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | 68.6 | 10.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y230 L231 N235 T271 L272 S273 | Y230-G233 PolarHBondContact O-N 3.09Å; L231-G233 PolarHBondContact O-N 3.39Å; G233-N235 PolarHBondContact O-N 2.9Å; G233-T271 WeakPolarHBondContact O-CB 3.39Å; G233-L272 PolarHBondContact O-N 2.85Å; G233-L272 VanDerWaalsContact O-N 3.17Å; G233-S273 PolarHBondContact O-N 2.88Å | ||
| 234 | E | 93 | Very high | 88.7 | Confident | 137 Ų | 137 | 25 Ų | 25 | 64% | 0.64 | 13% | 0.126 | S | C | * | . | trans | -80.1 | -2 | -179.5 | -61.7 | 176 | 156.7 | 0 | 0 | 112.9 | N232 | N232-E234 HydrophobicContact CB-CG 4.08Å; N232-E234 PolarHBondContact ND2-OE2 3.46Å; N232-E234 PolarHBondContact O-N 3.14Å | ||
| 235 | N | 93.1 | Very high | 90.3 | Very high | 11 Ų | 11 | 23.6 Ų | 23.6 | 6% | 0.059 | 12% | 0.119 | C | C | . | . | trans | -69.4 | 131.1 | 177.1 | 62.4 | -71.3 | 0 | 0 | 0 | 111 | G233 T271 L272 L309 M311 N312 | G233-N235 PolarHBondContact O-N 2.9Å; N235-T271 CarbonylContact O-C 3.54Å; N235-T271 VanDerWaalsContact O-CA 3.28Å; N235-T271 WeakPolarHBondContact O-CA 3.33Å; N235-L272 PolarHBondContact O-N 3.06Å; N235-L272 WeakPolarHBondContact OD1-CB 3.47Å; N235-L309 PolarHBondContact ND2-O 3.42Å; N235-M311 PolarHBondContact ND2-O 3.25Å; N235-N312 HydrophobicContact CB-CB 3.68Å | ||
| 236 | I | 93.7 | Very high | 91.7 | Very high | 15 Ų | 15 | 19.3 Ų | 19.3 | 8% | 0.077 | 10% | 0.096 | C | C | . | . | B | Isolated β-bridge | trans | -82.5 | 122.3 | 173.6 | -69.5 | 173.1 | 0 | 0 | 0 | 108.7 | P238 F270 T271 N312 L313 | I236-P238 WeakPolarHBondContact O-CD 3.38Å; I236-F270 WeakPolarHBondContact CA-O 3.46Å; I236-T271 HydrophobicContact CG1-CG2 4.18Å; I236-N312 PolarHBondContact N-OD1 3.46Å; I236-N312 WeakPolarHBondContact O-CA 3.25Å; I236-L313 PolarHBondContact O-N 3.48Å |
| 237 | L | 93.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | trans | -109 | 108.9 | -172.2 | -174 | 66 | 0 | 0 | 0 | 109.8 | V204 F213 T239 F270 L272 I275 I308 L309 M311 | V204-L237 HydrophobicContact CG2-CD1 3.76Å; V204-L237 HydrophobicContact CG2-CD2 4.11Å; V204-L237 HydrophobicContact CG2-CG 3.98Å; F213-L237 HydrophobicContact CE1-CD2 4.19Å; F213-L237 HydrophobicContact CZ-CD2 3.97Å; L237-T239 PolarHBondContact O-N 2.85Å; L237-F270 PolarHBondContact N-O 3.02Å; L237-L272 HydrophobicContact CD2-CD1 4.39Å; L237-I275 HydrophobicContact CB-CD1 4.32Å; L237-I275 HydrophobicContact CD2-CD1 4.35Å; L237-I308 WeakPolarHBondContact CD1-O 3.42Å; L237-L309 HydrophobicContact CD2-CD2 3.86Å; L237-M311 HydrophobicContact CD1-CB 3.95Å; L237-M311 HydrophobicContact CD1-CE 4Å | ||
| 238 | P | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | trans | -56.5 | 125.9 | 169.2 | -27.7 | 35.7 | 0 | 0 | 0 | 111.3 | L144 G203 V204 I236 R265 L313 | L144-P238 HydrophobicContact CD1-CB 3.76Å; L144-P238 HydrophobicContact CD1-CG 4.11Å; G203-P238 CarbonylContact C-O 3.5Å; G203-P238 WeakPolarHBondContact CA-O 3.26Å; V204-P238 PolarHBondContact N-O 2.97Å; I236-P238 WeakPolarHBondContact O-CD 3.38Å; P238-R265 HydrophobicContact CB-CB 4.27Å; P238-L313 WeakPolarHBondContact CD-O 3.34Å; P238-L313 HydrophobicContact CG-CB 4.05Å; P238-L313 WeakPolarHBondContact CG-O 3.44Å | ||
| 239 | T | 95.9 | Very high | 93 | Very high | 2 Ų | 2 | 18.4 Ų | 18.4 | 1% | 0.012 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 165 | 177.3 | 46.2 | 0 | 0 | 0 | 0 | 110.9 | V204 Y206 F213 L237 R265 D266 I275 I334 | V204-T239 HydrophobicContact CB-CG2 4.37Å; V204-T239 WeakPolarHBondContact O-CA 3.28Å; Y206-T239 HydrophobicContact CD1-CG2 4.42Å; F213-T239 HydrophobicContact CE2-CG2 4.37Å; F213-T239 HydrophobicContact CZ-CG2 4.15Å; L237-T239 PolarHBondContact O-N 2.85Å; T239-R265 CarbonylContact O-C 3.58Å; T239-R265 WeakPolarHBondContact O-CA 3.42Å; T239-R265 WeakPolarHBondContact O-CB 3.37Å; T239-D266 VanDerWaalsContact CB-OD2 3.24Å; T239-D266 WeakPolarHBondContact CB-OD2 3.31Å; T239-D266 VanDerWaalsContact O-CG 3.26Å; T239-D266 PolarHBondContact O-N 3.09Å; T239-D266 PolarHBondContact OG1-OD1 3.05Å; T239-D266 PolarHBondContact OG1-OD2 2.82Å; T239-I275 HydrophobicContact CG2-CD1 4.29Å; T239-I334 HydrophobicContact CG2-CD1 3.85Å |
| 240 | V | 95.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 140.8 | 163.9 | 68.1 | 0 | 0 | 0 | 0 | 111.2 | V204 F205 Y206 D244 V264 | V204-V240 PolarHBondContact O-N 2.87Å; F205-V240 WeakPolarHBondContact CA-O 3.45Å; F205-V240 HydrophobicContact CD1-CG1 3.53Å; F205-V240 HydrophobicContact CE1-CG1 3.74Å; Y206-V240 VanDerWaalsContact CD1-C 3.46Å; Y206-V240 VanDerWaalsContact CD1-O 3.31Å; Y206-V240 WeakPolarHBondContact CD1-O 3.21Å; Y206-V240 PolarHBondContact N-O 3.1Å; V240-D244 HydrophobicContact CG2-CB 4.31Å; V240-V264 HydrophobicContact CB-CG1 4.43Å; V240-V264 HydrophobicContact CG1-CG1 4.22Å; V240-V264 HydrophobicContact CG2-CG1 3.95Å |
| 241 | H | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 136.4 | 173.5 | -166.7 | -106.4 | 0 | 0 | 0 | 111.1 | Y206 G207 L243 D244 L245 E344 | Y206-H241 AromaticContact CD2-CD2 3.78Å; Y206-H241 HydrophobicContact CE1-CB 4.46Å; Y206-H241 VanDerWaalsContact CE1-N 3.32Å; Y206-H241 HydrophobicContact CE2-CB 3.97Å; Y206-H241 AromaticContact CE2-CD2 3.68Å; G207-H241 WeakPolarHBondContact CA-NE2 3.27Å; H241-L243 VanDerWaalsContact C-N 3.26Å; H241-L243 PolarHBondContact ND1-N 3Å; H241-L243 PolarHBondContact O-N 3.11Å; H241-D244 HydrophobicContact CB-CB 4.22Å; H241-D244 WeakPolarHBondContact CB-OD2 3.48Å; H241-D244 PolarHBondContact O-N 2.95Å; H241-L245 PolarHBondContact O-N 2.81Å; H241-L245 VanDerWaalsContact O-N 3.17Å; H241-E344 IonicContact CE1-OE2 3.15Å; H241-E344 IonicContact NE2-OE1 2.7Å; H241-E344 IonicContact NE2-OE2 2.78Å; H241-E344 PolarHBondContact NE2-OE2 3.2Å |
| 242 | I | 94.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.4 | -32.5 | -174 | -173.7 | 57.3 | 0 | 0 | 0 | 113.4 | F20 V21 N24 I25 F205 Y206 C208 L245 A246 | F20-I242 HydrophobicContact CD1-CG1 4.45Å; F20-I242 HydrophobicContact CE1-CB 3.87Å; F20-I242 HydrophobicContact CE1-CD1 4Å; F20-I242 HydrophobicContact CE1-CG1 3.68Å; F20-I242 HydrophobicContact CE1-CG2 4.26Å; F20-I242 HydrophobicContact CZ-CB 4Å; F20-I242 HydrophobicContact CZ-CG1 4.16Å; F20-I242 HydrophobicContact CZ-CG2 3.9Å; V21-I242 HydrophobicContact CG1-CD1 4.27Å; V21-I242 HydrophobicContact CG2-CD1 4.46Å; N24-I242 HydrophobicContact CB-CG1 3.58Å; N24-I242 HydrophobicContact CB-CG2 4.22Å; I25-I242 HydrophobicContact CG1-CD1 4.45Å; F205-I242 HydrophobicContact CG-CD1 4.38Å; Y206-I242 PolarHBondContact O-N 2.84Å; C208-I242 HydrophobicContact CB-CG2 4.01Å; I242-L245 HydrophobicContact CD1-CD2 4.21Å; I242-A246 PolarHBondContact O-N 3.48Å |
| 243 | L | 93.8 | Very high | 93.8 | Very high | 32 Ų | 32 | 12.7 Ų | 12.7 | 17% | 0.168 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -77.2 | -25.7 | 176 | -60.1 | -178.2 | 0 | 0 | 0 | 113.1 | H241 A246 R247 I329 | H241-L243 VanDerWaalsContact C-N 3.26Å; H241-L243 PolarHBondContact ND1-N 3Å; H241-L243 PolarHBondContact O-N 3.11Å; L243-A246 WeakPolarHBondContact O-CB 3.2Å; L243-A246 PolarHBondContact O-N 2.86Å; L243-R247 WeakPolarHBondContact O-CG 3.12Å; L243-R247 PolarHBondContact O-N 3.42Å; L243-I329 HydrophobicContact CB-CD1 3.62Å; L243-I329 HydrophobicContact CD1-CD1 3.71Å; L243-I329 HydrophobicContact CG-CD1 4.3Å |
| 244 | D | 94.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -71 | -36.3 | 172.8 | -73.1 | -35.8 | 0 | 0 | 0 | 110.5 | V240 H241 A246 R247 I248 W328 I329 S330 | V240-D244 HydrophobicContact CG2-CB 4.31Å; H241-D244 HydrophobicContact CB-CB 4.22Å; H241-D244 WeakPolarHBondContact CB-OD2 3.48Å; H241-D244 PolarHBondContact O-N 2.95Å; D244-A246 VanDerWaalsContact C-N 3.3Å; D244-A246 PolarHBondContact O-N 3.25Å; D244-R247 PolarHBondContact O-N 2.93Å; D244-I248 WeakPolarHBondContact O-CD1 3.11Å; D244-I248 VanDerWaalsContact O-CG1 3.28Å; D244-I248 WeakPolarHBondContact O-CG1 3.27Å; D244-I248 PolarHBondContact O-N 3.41Å; D244-W328 HydrophobicContact CB-CE3 3.94Å; D244-W328 HydrophobicContact CB-CZ3 4.09Å; D244-I329 PolarHBondContact OD1-N 3.43Å; D244-I329 PolarHBondContact OD2-N 3.1Å; D244-S330 PolarHBondContact OD2-N 2.9Å |
| 245 | L | 95.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -58.4 | -42 | 166 | 173.1 | 64.1 | 0 | 0 | 0 | 111.7 | I25 V141 L200 F205 H241 I242 I248 I249 V264 | I25-L245 HydrophobicContact CD1-CD2 3.99Å; I25-L245 HydrophobicContact CD1-CG 4.39Å; V141-L245 HydrophobicContact CG1-CD2 4.02Å; L200-L245 HydrophobicContact CD1-CD1 3.84Å; F205-L245 HydrophobicContact CD1-CD2 4.48Å; F205-L245 HydrophobicContact CE1-CD2 3.6Å; F205-L245 HydrophobicContact CZ-CD2 3.68Å; H241-L245 PolarHBondContact O-N 2.81Å; H241-L245 VanDerWaalsContact O-N 3.17Å; I242-L245 HydrophobicContact CD1-CD2 4.21Å; L245-I248 PolarHBondContact O-N 2.88Å; L245-I249 HydrophobicContact CD1-CD1 4.03Å; L245-I249 HydrophobicContact CD1-CG1 4.26Å; L245-I249 HydrophobicContact CG-CD1 3.98Å; L245-I249 WeakPolarHBondContact O-CG1 3.48Å; L245-I249 PolarHBondContact O-N 3.14Å; L245-V264 HydrophobicContact CD1-CG1 4.05Å; L245-V264 HydrophobicContact CD1-CG2 4.47Å |
| 246 | A | 94.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65.5 | -37.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I25 Y28 I242 L243 D244 I249 Q250 | I25-A246 HydrophobicContact CG1-CB 4.28Å; Y28-A246 HydrophobicContact CD1-CB 3.47Å; Y28-A246 VanDerWaalsContact CD1-CB 3.47Å; Y28-A246 HydrophobicContact CE1-CB 4.21Å; Y28-A246 HydrophobicContact CG-CB 3.84Å; I242-A246 PolarHBondContact O-N 3.48Å; L243-A246 WeakPolarHBondContact O-CB 3.2Å; L243-A246 PolarHBondContact O-N 2.86Å; D244-A246 VanDerWaalsContact C-N 3.3Å; D244-A246 PolarHBondContact O-N 3.25Å; A246-I249 PolarHBondContact O-N 3.3Å; A246-Q250 PolarHBondContact O-N 3Å |
| 247 | R | 93.2 | Very high | 93.4 | Very high | 46 Ų | 46 | 15.5 Ų | 15.5 | 17% | 0.174 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.4 | -43.7 | 170.6 | -74.8 | 175.8 | 176.8 | 172.4 | 5.5 | 112.3 | Y28 L243 D244 I249 Q250 C251 F326 P327 | Y28-R247 HydrophobicContact CE1-CG 4.18Å; Y28-R247 HydrophobicContact CE2-CG 4.49Å; Y28-R247 WeakPolarHBondContact OH-CG 3.45Å; L243-R247 WeakPolarHBondContact O-CG 3.12Å; L243-R247 PolarHBondContact O-N 3.42Å; D244-R247 PolarHBondContact O-N 2.93Å; R247-I249 VanDerWaalsContact C-N 3.33Å; R247-I249 PolarHBondContact O-N 3.21Å; R247-Q250 WeakPolarHBondContact O-CB 3.01Å; R247-Q250 PolarHBondContact O-N 3.21Å; R247-C251 PolarHBondContact O-N 2.99Å; R247-C251 PolarHBondContact O-SG 3.05Å; R247-F326 HydrophobicContact CB-CD2 3.87Å; R247-F326 HydrophobicContact CB-CE2 4.31Å; R247-F326 HydrophobicContact CB-CG 4.27Å; R247-P327 WeakPolarHBondContact CD-O 3.22Å; R247-P327 PolarHBondContact NH1-O 2.94Å |
| 248 | I | 94.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.3 | -41.8 | 174.9 | -69.6 | 159.6 | 0 | 0 | 0 | 111 | D244 L245 C251 I252 V264 I320 M324 F326 | D244-I248 WeakPolarHBondContact O-CD1 3.11Å; D244-I248 VanDerWaalsContact O-CG1 3.28Å; D244-I248 WeakPolarHBondContact O-CG1 3.27Å; D244-I248 PolarHBondContact O-N 3.41Å; L245-I248 PolarHBondContact O-N 2.88Å; I248-C251 WeakPolarHBondContact O-CB 3.3Å; I248-C251 PolarHBondContact O-N 3.25Å; I248-I252 HydrophobicContact CG2-CD1 3.87Å; I248-I252 VanDerWaalsContact O-CG1 3.29Å; I248-I252 WeakPolarHBondContact O-CG1 3.25Å; I248-I252 PolarHBondContact O-N 2.85Å; I248-V264 HydrophobicContact CD1-CG1 3.59Å; I248-V264 HydrophobicContact CD1-CG2 4.49Å; I248-V264 HydrophobicContact CG2-CG2 4.38Å; I248-I320 HydrophobicContact CD1-CD1 3.72Å; I248-I320 HydrophobicContact CG1-CD1 4.43Å; I248-M324 HydrophobicContact CG1-SD 4.48Å; I248-M324 HydrophobicContact CG2-CE 4.34Å; I248-M324 HydrophobicContact CG2-SD 4.03Å; I248-F326 HydrophobicContact CD1-CZ 3.93Å; I248-F326 HydrophobicContact CG1-CE1 3.66Å; I248-F326 HydrophobicContact CG1-CE2 4.19Å; I248-F326 HydrophobicContact CG1-CZ 3.37Å |
| 249 | I | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.8 | -44.3 | 175 | -73.5 | 169.3 | 0 | 0 | 0 | 111.1 | I25 L29 I105 I139 V141 L200 L245 A246 R247 C251 I252 I253 | I25-I249 HydrophobicContact CD1-CD1 3.76Å; I25-I249 HydrophobicContact CG1-CD1 4.36Å; I25-I249 HydrophobicContact CG2-CD1 4.14Å; L29-I249 HydrophobicContact CD1-CG2 4.06Å; I105-I249 HydrophobicContact CD1-CG2 3.74Å; I139-I249 HydrophobicContact CD1-CG2 4.13Å; V141-I249 HydrophobicContact CG2-CD1 4.45Å; L200-I249 HydrophobicContact CD1-CD1 4.32Å; L200-I249 HydrophobicContact CD1-CG1 3.79Å; L245-I249 HydrophobicContact CD1-CD1 4.03Å; L245-I249 HydrophobicContact CD1-CG1 4.26Å; L245-I249 HydrophobicContact CG-CD1 3.98Å; L245-I249 WeakPolarHBondContact O-CG1 3.48Å; L245-I249 PolarHBondContact O-N 3.14Å; A246-I249 PolarHBondContact O-N 3.3Å; R247-I249 VanDerWaalsContact C-N 3.33Å; R247-I249 PolarHBondContact O-N 3.21Å; I249-C251 VanDerWaalsContact C-N 3.34Å; I249-C251 PolarHBondContact O-N 3.19Å; I249-I252 PolarHBondContact O-N 3.12Å; I249-I253 HydrophobicContact CG2-CD1 3.69Å; I249-I253 HydrophobicContact CG2-CG1 4.49Å; I249-I253 WeakPolarHBondContact O-CD1 3.15Å; I249-I253 VanDerWaalsContact O-CG1 3.22Å; I249-I253 WeakPolarHBondContact O-CG1 3.34Å; I249-I253 PolarHBondContact O-N 3.42Å |
| 250 | Q | 92.5 | Very high | 93 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.7 | -45.1 | 173.4 | -179.5 | -178.2 | 9.5 | 0 | 0 | 111.5 | Y28 L29 F65 A246 R247 I252 I253 N254 | Y28-Q250 HydrophobicContact CE1-CB 4.5Å; Y28-Q250 VanDerWaalsContact CE1-OE1 3.22Å; Y28-Q250 PolarHBondContact OH-OE1 2.95Å; L29-Q250 HydrophobicContact CD2-CB 4.06Å; F65-Q250 HydrophobicContact CE2-CG 4.49Å; A246-Q250 PolarHBondContact O-N 3Å; R247-Q250 WeakPolarHBondContact O-CB 3.01Å; R247-Q250 PolarHBondContact O-N 3.21Å; Q250-I252 PolarHBondContact O-N 2.66Å; Q250-I253 PolarHBondContact O-N 2.99Å; Q250-N254 WeakPolarHBondContact O-CB 3.3Å; Q250-N254 PolarHBondContact O-N 2.56Å |
| 251 | C | 92.4 | Very high | 93.1 | Very high | 19 Ų | 19 | 29.7 Ų | 29.7 | 13% | 0.128 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.8 | -49.5 | 175.1 | -66 | 0 | 0 | 0 | 0 | 111.3 | R247 I248 I249 I253 N254 D255 M324 | R247-C251 PolarHBondContact O-N 2.99Å; R247-C251 PolarHBondContact O-SG 3.05Å; I248-C251 WeakPolarHBondContact O-CB 3.3Å; I248-C251 PolarHBondContact O-N 3.25Å; I249-C251 VanDerWaalsContact C-N 3.34Å; I249-C251 PolarHBondContact O-N 3.19Å; C251-I253 VanDerWaalsContact C-N 3.26Å; C251-I253 PolarHBondContact O-N 3.4Å; C251-N254 PolarHBondContact O-N 3.11Å; C251-N254 VanDerWaalsContact O-N 3.11Å; C251-D255 CarbonylContact O-C 3.47Å; C251-D255 PolarHBondContact O-N 3.37Å; C251-M324 HydrophobicContact CB-SD 4.24Å |
| 252 | I | 93.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.3 | -31.7 | 178.7 | -69.3 | 166.6 | 0 | 0 | 0 | 113 | I139 Y198 L200 I248 I249 Q250 P256 P257 I262 M324 | I139-I252 HydrophobicContact CD1-CG2 4.07Å; Y198-I252 HydrophobicContact CD1-CG2 4.4Å; Y198-I252 HydrophobicContact CD2-CG2 3.59Å; Y198-I252 HydrophobicContact CE1-CG2 4.27Å; Y198-I252 HydrophobicContact CE2-CG2 3.36Å; Y198-I252 HydrophobicContact CG-CG2 4.08Å; L200-I252 HydrophobicContact CD1-CD1 4.23Å; L200-I252 HydrophobicContact CD2-CD1 3.66Å; I248-I252 HydrophobicContact CG2-CD1 3.87Å; I248-I252 VanDerWaalsContact O-CG1 3.29Å; I248-I252 WeakPolarHBondContact O-CG1 3.25Å; I248-I252 PolarHBondContact O-N 2.85Å; I249-I252 PolarHBondContact O-N 3.12Å; Q250-I252 PolarHBondContact O-N 2.66Å; I252-P256 WeakPolarHBondContact O-CA 3.39Å; I252-P256 WeakPolarHBondContact O-CB 3.37Å; I252-P256 WeakPolarHBondContact O-CG 3.45Å; I252-P257 HydrophobicContact CG1-CG 4.23Å; I252-I262 HydrophobicContact CD1-CD1 3.86Å; I252-I262 HydrophobicContact CG1-CD1 4.33Å; I252-M324 HydrophobicContact CD1-CE 4.17Å; I252-M324 HydrophobicContact CG1-CE 3.7Å |
| 253 | I | 92.6 | Very high | 93.2 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.015 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -77.6 | -31.7 | 177.5 | -68.2 | 166 | 0 | 0 | 0 | 111.8 | K10 I12 F65 V103 I139 I249 Q250 C251 | K10-I253 HydrophobicContact CD-CG2 3.9Å; K10-I253 PolarHBondContact NZ-O 3.18Å; I12-I253 HydrophobicContact CD1-CD1 3.93Å; F65-I253 HydrophobicContact CE1-CG2 3.66Å; F65-I253 HydrophobicContact CZ-CG2 4.01Å; V103-I253 HydrophobicContact CG1-CD1 3.98Å; V103-I253 HydrophobicContact CG1-CG1 4.07Å; V103-I253 HydrophobicContact CG2-CD1 4.22Å; V103-I253 HydrophobicContact CG2-CG1 4.02Å; V103-I253 HydrophobicContact CG2-CG2 4.12Å; I139-I253 HydrophobicContact CD1-CG1 4.39Å; I249-I253 HydrophobicContact CG2-CD1 3.69Å; I249-I253 HydrophobicContact CG2-CG1 4.49Å; I249-I253 WeakPolarHBondContact O-CD1 3.15Å; I249-I253 VanDerWaalsContact O-CG1 3.22Å; I249-I253 WeakPolarHBondContact O-CG1 3.34Å; I249-I253 PolarHBondContact O-N 3.42Å; Q250-I253 PolarHBondContact O-N 2.99Å; C251-I253 VanDerWaalsContact C-N 3.26Å; C251-I253 PolarHBondContact O-N 3.4Å |
| 254 | N | 89.3 | Confident | 93.3 | Very high | 46 Ų | 46 | 28.1 Ų | 28.1 | 25% | 0.246 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -88.1 | -57 | -178.1 | -75.4 | -10.8 | 0 | 0 | 0 | 112.2 | G35 S36 Q250 C251 | G35-N254 PolarHBondContact N-OD1 3.17Å; S36-N254 PolarHBondContact O-ND2 2.98Å; Q250-N254 WeakPolarHBondContact O-CB 3.3Å; Q250-N254 PolarHBondContact O-N 2.56Å; C251-N254 PolarHBondContact O-N 3.11Å; C251-N254 VanDerWaalsContact O-N 3.11Å |
| 255 | D | 88.9 | Confident | 93.3 | Very high | 127 Ų | 127 | 28.1 Ų | 28.1 | 68% | 0.679 | 14% | 0.136 | S | C | * | . | S | Bend | trans | -119.2 | 95.3 | 172.2 | -168.6 | 9.4 | 0 | 0 | 0 | 111 | C251 P257 | C251-D255 CarbonylContact O-C 3.47Å; C251-D255 PolarHBondContact O-N 3.37Å; D255-P257 WeakPolarHBondContact O-CD 3.31Å |
| 256 | P | 89.7 | Confident | 93.3 | Very high | 38 Ų | 38 | 28.2 Ų | 28.2 | 25% | 0.247 | 14% | 0.136 | C | C | . | . | trans | -74.1 | 109.8 | -170.7 | -16.6 | 31 | 0 | 0 | 0 | 112.7 | I137 Y198 I252 | I137-P256 HydrophobicContact CD1-CG 4.42Å; Y198-P256 WeakPolarHBondContact OH-CA 3.24Å; Y198-P256 WeakPolarHBondContact OH-CB 3.3Å; I252-P256 WeakPolarHBondContact O-CA 3.39Å; I252-P256 WeakPolarHBondContact O-CB 3.37Å; I252-P256 WeakPolarHBondContact O-CG 3.45Å | ||
| 257 | P | 91.7 | Very high | 93.2 | Very high | 12 Ų | 12 | 32 Ų | 32 | 8% | 0.078 | 16% | 0.156 | C | C | . | . | trans | -63.5 | 166.8 | -170.6 | 26 | -36.8 | 0 | 0 | 0 | 113.9 | Y198 I252 D255 R260 I262 T319 M324 | Y198-P257 HydrophobicContact CE1-CG 3.97Å; Y198-P257 WeakPolarHBondContact OH-CD 3.49Å; Y198-P257 PolarHBondContact OH-O 2.95Å; I252-P257 HydrophobicContact CG1-CG 4.23Å; D255-P257 WeakPolarHBondContact O-CD 3.31Å; P257-R260 PolarHBondContact O-NH1 3.31Å; P257-R260 PolarHBondContact O-NH2 3.27Å; P257-I262 HydrophobicContact CG-CD1 3.83Å; P257-T319 HydrophobicContact CB-CG2 4.18Å; P257-M324 HydrophobicContact CG-CE 3.87Å | ||
| 258 | K | 91.3 | Very high | 92.9 | Very high | 180 Ų | 180 | 30 Ų | 30 | 78% | 0.783 | 15% | 0.15 | S | C | * | . | S | Bend | trans | -70.5 | -45.6 | -178.2 | -73.2 | 172 | -170.7 | 143.5 | 0 | 112.2 | R260 | K258-R260 PolarHBondContact O-NE 3Å; K258-R260 VanDerWaalsContact O-NE 3.07Å; K258-R260 PolarHBondContact O-NH2 3.09Å; K258-R260 VanDerWaalsContact O-NH2 3.1Å |
| 259 | Q | 92.5 | Very high | 92.7 | Very high | 48 Ų | 48 | 33.9 Ų | 33.9 | 22% | 0.224 | 17% | 0.168 | C | C | . | . | trans | -72.7 | 144.1 | -179.7 | 175.9 | 55.9 | -0.2 | 0 | 0 | 110.3 | E162 Y198 Y261 T319 | E162-Q259 WeakPolarHBondContact OE1-CG 3.4Å; Y198-Q259 WeakPolarHBondContact CE1-O 3.3Å; Q259-Y261 PolarHBondContact NE2-O 3.18Å; Q259-T319 HydrophobicContact CB-CG2 4.26Å; Q259-T319 WeakPolarHBondContact CB-OG1 3.44Å; Q259-T319 VanDerWaalsContact CG-OG1 3.26Å; Q259-T319 WeakPolarHBondContact CG-OG1 3.29Å | ||
| 260 | R | 93.7 | Very high | 92.7 | Very high | 72 Ų | 72 | 36.2 Ų | 36.2 | 27% | 0.272 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -116.3 | -12.5 | -169.8 | -53.7 | -62.7 | 163 | -161.2 | -17.7 | 114.6 | L185 Y198 V199 P257 K258 | L185-R260 HydrophobicContact CD2-CB 3.94Å; L185-R260 WeakPolarHBondContact CD2-O 3.45Å; Y198-R260 WeakPolarHBondContact CA-O 3.41Å; Y198-R260 PolarHBondContact OH-NH1 3.38Å; V199-R260 PolarHBondContact N-O 3.06Å; P257-R260 PolarHBondContact O-NH1 3.31Å; P257-R260 PolarHBondContact O-NH2 3.27Å; K258-R260 PolarHBondContact O-NE 3Å; K258-R260 VanDerWaalsContact O-NE 3.07Å; K258-R260 PolarHBondContact O-NH2 3.09Å; K258-R260 VanDerWaalsContact O-NH2 3.1Å |
| 261 | Y | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 107.4 | 172.2 | -177 | -88.6 | 0 | 0 | 0 | 105.6 | S146 W147 Y165 R168 E181 L185 V199 A201 Q259 V263 | S146-Y261 PolarHBondContact OG-OH 2.93Å; W147-Y261 AromaticContact CZ2-CE1 3.91Å; W147-Y261 HydrophobicContact CZ2-CE1 3.91Å; W147-Y261 AromaticContact NE1-CE1 3.72Å; W147-Y261 AromaticContact NE1-CZ 3.72Å; W147-Y261 PolarHBondContact NE1-OH 3.02Å; Y165-Y261 HydrophobicContact CD1-CD1 4.23Å; Y165-Y261 HydrophobicContact CD1-CG 4.46Å; Y165-Y261 HydrophobicContact CD2-CD1 4.4Å; Y165-Y261 HydrophobicContact CD2-CG 4.19Å; Y165-Y261 AromaticContact CG-CD1 3.77Å; Y165-Y261 HydrophobicContact CG-CD1 3.77Å; Y165-Y261 HydrophobicContact CG-CE1 4.46Å; Y165-Y261 AromaticContact CG-CG 3.98Å; Y165-Y261 HydrophobicContact CG-CG 3.98Å; R168-Y261 VanDerWaalsContact NH2-CE2 3.35Å; E181-Y261 HydrophobicContact CG-CE2 4.47Å; E181-Y261 WeakPolarHBondContact OE1-CE2 3.3Å; E181-Y261 PolarHBondContact OE1-OH 3.24Å; E181-Y261 VanDerWaalsContact OE1-OH 3.1Å; L185-Y261 HydrophobicContact CD1-CD2 3.88Å; L185-Y261 HydrophobicContact CD1-CG 4.37Å; V199-Y261 HydrophobicContact CB-CD2 3.82Å; V199-Y261 HydrophobicContact CB-CE2 4.34Å; V199-Y261 HydrophobicContact CG1-CD2 3.64Å; V199-Y261 HydrophobicContact CG1-CE2 3.63Å; V199-Y261 WeakPolarHBondContact O-CA 3.4Å; A201-Y261 HydrophobicContact CB-CE1 4.05Å; A201-Y261 HydrophobicContact CB-CE2 4.1Å; A201-Y261 WeakPolarHBondContact CB-OH 3.46Å; Q259-Y261 PolarHBondContact NE2-O 3.18Å; Y261-V263 HydrophobicContact CE1-CG2 4.17Å |
| 262 | I | 96.5 | Very high | 93 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 131.5 | -171.9 | -57.7 | 172.2 | 0 | 0 | 0 | 107 | E162 Y198 V199 L200 A201 I252 P257 V264 T319 I320 M324 | E162-I262 WeakPolarHBondContact OE2-CA 3.43Å; Y198-I262 HydrophobicContact CD1-CD1 4.23Å; Y198-I262 HydrophobicContact CE1-CD1 4.49Å; V199-I262 PolarHBondContact O-N 3.46Å; L200-I262 WeakPolarHBondContact CA-O 2.98Å; L200-I262 HydrophobicContact CD2-CB 3.86Å; L200-I262 HydrophobicContact CD2-CD1 4.14Å; L200-I262 HydrophobicContact CD2-CG1 4.41Å; L200-I262 HydrophobicContact CD2-CG2 4.49Å; A201-I262 PolarHBondContact N-O 3.41Å; I252-I262 HydrophobicContact CD1-CD1 3.86Å; I252-I262 HydrophobicContact CG1-CD1 4.33Å; P257-I262 HydrophobicContact CG-CD1 3.83Å; I262-V264 HydrophobicContact CG2-CG2 4.26Å; I262-T319 HydrophobicContact CD1-CG2 4.18Å; I262-T319 HydrophobicContact CG1-CG2 4.11Å; I262-T319 HydrophobicContact CG2-CG2 4.5Å; I262-I320 HydrophobicContact CG2-CD1 4.21Å; I262-I320 HydrophobicContact CG2-CG1 3.88Å; I262-M324 HydrophobicContact CD1-CE 4.05Å |
| 263 | V | 96.2 | Very high | 93 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 126.5 | 173 | 167.7 | 0 | 0 | 0 | 0 | 107.6 | L144 E162 A201 Y261 R265 I315 P317 I320 | L144-V263 HydrophobicContact CD1-CG1 4.4Å; L144-V263 HydrophobicContact CD2-CG1 4.14Å; L144-V263 HydrophobicContact CD2-CG2 4.2Å; E162-V263 HydrophobicContact CB-CB 4.37Å; E162-V263 HydrophobicContact CB-CG2 4.12Å; E162-V263 HydrophobicContact CG-CB 4.24Å; E162-V263 HydrophobicContact CG-CG2 3.9Å; E162-V263 PolarHBondContact OE2-N 3.23Å; A201-V263 WeakPolarHBondContact O-CA 3.26Å; Y261-V263 HydrophobicContact CE1-CG2 4.17Å; V263-R265 HydrophobicContact CG1-CG 4.06Å; V263-I315 HydrophobicContact CG1-CD1 4.29Å; V263-I315 HydrophobicContact CG1-CG1 4.2Å; V263-I315 HydrophobicContact CG1-CG2 3.88Å; V263-I315 HydrophobicContact CG2-CD1 3.71Å; V263-I315 HydrophobicContact CG2-CG1 4.29Å; V263-P317 HydrophobicContact CB-CB 4.41Å; V263-P317 HydrophobicContact CG1-CB 4.25Å; V263-P317 VanDerWaalsContact O-CB 3.23Å; V263-P317 WeakPolarHBondContact O-CB 3.34Å; V263-I320 WeakPolarHBondContact O-CD1 3.19Å |
| 264 | V | 96 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 103.9 | -175.3 | 178.4 | 0 | 0 | 0 | 0 | 109.2 | L200 A201 C202 G203 V240 L245 I248 I262 I320 | L200-V264 HydrophobicContact CB-CG2 4.03Å; L200-V264 HydrophobicContact CD2-CG2 4.33Å; A201-V264 PolarHBondContact O-N 3.39Å; C202-V264 CarbonylContact C-O 3.51Å; C202-V264 VanDerWaalsContact CA-O 3.28Å; C202-V264 WeakPolarHBondContact CA-O 3.34Å; C202-V264 HydrophobicContact CB-CB 4.4Å; G203-V264 PolarHBondContact N-O 2.82Å; V240-V264 HydrophobicContact CB-CG1 4.43Å; V240-V264 HydrophobicContact CG1-CG1 4.22Å; V240-V264 HydrophobicContact CG2-CG1 3.95Å; L245-V264 HydrophobicContact CD1-CG1 4.05Å; L245-V264 HydrophobicContact CD1-CG2 4.47Å; I248-V264 HydrophobicContact CD1-CG1 3.59Å; I248-V264 HydrophobicContact CD1-CG2 4.49Å; I248-V264 HydrophobicContact CG2-CG2 4.38Å; I262-V264 HydrophobicContact CG2-CG2 4.26Å; V264-I320 HydrophobicContact CB-CD1 4.36Å; V264-I320 HydrophobicContact CG1-CD1 4.49Å; V264-I320 HydrophobicContact CG2-CD1 4.14Å |
| 265 | R | 94.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -149.3 | 157.5 | 174 | 47.6 | 158.2 | -78.6 | 159.2 | 1.7 | 110.3 | P238 T239 V263 G268 I315 P317 | P238-R265 HydrophobicContact CB-CB 4.27Å; T239-R265 CarbonylContact O-C 3.58Å; T239-R265 WeakPolarHBondContact O-CA 3.42Å; T239-R265 WeakPolarHBondContact O-CB 3.37Å; V263-R265 HydrophobicContact CG1-CG 4.06Å; R265-G268 PolarHBondContact NH2-O 2.94Å; R265-I315 VanDerWaalsContact CD-O 3.22Å; R265-I315 WeakPolarHBondContact CD-O 3.41Å; R265-P317 HydrophobicContact CG-CB 4.22Å; R265-P317 HydrophobicContact CG-CG 4.08Å | ||
| 266 | D | 93.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | trans | -69.5 | 179 | 166.2 | 61 | 47.9 | 0 | 0 | 0 | 111.6 | Y206 T239 G268 | Y206-D266 WeakPolarHBondContact CE1-OD2 3.23Å; Y206-D266 PolarHBondContact OH-OD2 2.77Å; T239-D266 VanDerWaalsContact CB-OD2 3.24Å; T239-D266 WeakPolarHBondContact CB-OD2 3.31Å; T239-D266 VanDerWaalsContact O-CG 3.26Å; T239-D266 PolarHBondContact O-N 3.09Å; T239-D266 PolarHBondContact OG1-OD1 3.05Å; T239-D266 PolarHBondContact OG1-OD2 2.82Å; D266-G268 VanDerWaalsContact C-N 3.31Å; D266-G268 WeakPolarHBondContact OD1-CA 3.44Å; D266-G268 PolarHBondContact OD1-N 3.45Å | ||
| 267 | D | 92.3 | Very high | 93.8 | Very high | 81 Ų | 81 | 36.4 Ų | 36.4 | 43% | 0.433 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -88.4 | 2.1 | 174.4 | -88.9 | -22 | 0 | 0 | 0 | 113.3 | K321 D331 | D267-K321 WeakPolarHBondContact OD1-CE 3.41Å; D267-K321 IonicContact OD1-NZ 2.81Å; D267-K321 PolarHBondContact OD1-NZ 3.45Å; D267-K321 IonicContact OD2-NZ 2.72Å; D267-D331 WeakPolarHBondContact CA-O 3.18Å; D267-D331 PolarHBondContact N-O 2.8Å |
| 268 | G | 88.5 | Confident | 93.9 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | trans | -58.1 | 137.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R265 D266 D331 | R265-G268 PolarHBondContact NH2-O 2.94Å; D266-G268 VanDerWaalsContact C-N 3.31Å; D266-G268 WeakPolarHBondContact OD1-CA 3.44Å; D266-G268 PolarHBondContact OD1-N 3.45Å; G268-D331 PolarHBondContact N-O 2.91Å | ||
| 269 | Q | 90 | Very high | 93.9 | Very high | 81 Ų | 81 | 27.8 Ų | 27.8 | 38% | 0.379 | 13% | 0.134 | S | C | . | . | trans | -129 | 40.1 | 175.6 | -61.9 | -72.9 | 15.2 | 0 | 0 | 110 | ||||
| 270 | F | 94.3 | Very high | 93.7 | Very high | 50 Ų | 50 | 25.5 Ų | 25.5 | 22% | 0.219 | 12% | 0.123 | C | C | . | . | trans | -83.1 | 146.5 | -173.9 | -60.1 | -77.6 | 0 | 0 | 0 | 112.3 | I236 L237 E274 I275 S332 P335 | I236-F270 WeakPolarHBondContact CA-O 3.46Å; L237-F270 PolarHBondContact N-O 3.02Å; F270-E274 HydrophobicContact CB-CB 4.39Å; F270-E274 HydrophobicContact CD1-CB 4.42Å; F270-I275 HydrophobicContact CB-CD1 4.33Å; F270-I275 HydrophobicContact CB-CG1 4Å; F270-S332 VanDerWaalsContact CE2-O 3.3Å; F270-S332 WeakPolarHBondContact CE2-O 3.46Å; F270-P335 HydrophobicContact CB-CG 4.14Å; F270-P335 HydrophobicContact CD1-CB 4.29Å; F270-P335 HydrophobicContact CD1-CG 3.72Å; F270-P335 HydrophobicContact CD2-CG 3.96Å; F270-P335 HydrophobicContact CE1-CB 4.16Å; F270-P335 HydrophobicContact CE1-CG 4.05Å; F270-P335 HydrophobicContact CE2-CG 4.29Å; F270-P335 HydrophobicContact CG-CG 3.64Å; F270-P335 HydrophobicContact CZ-CB 4.38Å; F270-P335 HydrophobicContact CZ-CG 4.32Å | ||
| 271 | T | 95.5 | Very high | 93.4 | Very high | 30 Ų | 30 | 25.3 Ų | 25.3 | 18% | 0.184 | 13% | 0.133 | C | C | . | . | B | Isolated β-bridge | trans | -73.6 | 154.9 | 169.4 | 64.1 | 0 | 0 | 0 | 0 | 111 | G233 N235 I236 S273 E274 I275 | G233-T271 WeakPolarHBondContact O-CB 3.39Å; N235-T271 CarbonylContact O-C 3.54Å; N235-T271 VanDerWaalsContact O-CA 3.28Å; N235-T271 WeakPolarHBondContact O-CA 3.33Å; I236-T271 HydrophobicContact CG1-CG2 4.18Å; T271-S273 PolarHBondContact O-N 2.76Å; T271-E274 WeakPolarHBondContact CB-OE2 3.27Å; T271-E274 WeakPolarHBondContact CG2-OE2 3.39Å; T271-E274 PolarHBondContact N-OE2 3.35Å; T271-E274 PolarHBondContact O-N 3.18Å; T271-E274 VanDerWaalsContact O-N 3.11Å; T271-E274 VanDerWaalsContact OG1-CD 3.26Å; T271-E274 VanDerWaalsContact OG1-CG 3.28Å; T271-E274 WeakPolarHBondContact OG1-CG 3.36Å; T271-E274 PolarHBondContact OG1-N 3.39Å; T271-E274 PolarHBondContact OG1-OE2 2.94Å; T271-I275 WeakPolarHBondContact O-CG1 3.29Å; T271-I275 PolarHBondContact O-N 2.92Å; T271-I275 VanDerWaalsContact O-N 3.1Å |
| 272 | L | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -55.8 | -36.9 | 171.7 | 179.9 | 66.6 | 0 | 0 | 0 | 111.4 | Y230 G233 N235 L237 E274 I275 V276 | Y230-L272 HydrophobicContact CD2-CD2 4.2Å; G233-L272 PolarHBondContact O-N 2.85Å; G233-L272 VanDerWaalsContact O-N 3.17Å; N235-L272 PolarHBondContact O-N 3.06Å; N235-L272 WeakPolarHBondContact OD1-CB 3.47Å; L237-L272 HydrophobicContact CD2-CD1 4.39Å; L272-E274 PolarHBondContact O-N 2.78Å; L272-I275 PolarHBondContact O-N 2.92Å; L272-V276 HydrophobicContact CD1-CG2 4.02Å; L272-V276 HydrophobicContact CG-CG2 4.17Å; L272-V276 WeakPolarHBondContact O-CB 3.4Å; L272-V276 WeakPolarHBondContact O-CG2 3.42Å; L272-V276 PolarHBondContact O-N 3.21Å |
| 273 | S | 94.6 | Very high | 92.1 | Very high | 15 Ų | 15 | 25.8 Ų | 25.8 | 11% | 0.105 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.4 | -42.1 | 176.3 | 179 | 0 | 0 | 0 | 0 | 112.5 | G233 T271 K277 | G233-S273 PolarHBondContact O-N 2.88Å; T271-S273 PolarHBondContact O-N 2.76Å; S273-K277 VanDerWaalsContact O-CB 3.27Å; S273-K277 WeakPolarHBondContact O-CB 3.25Å; S273-K277 WeakPolarHBondContact O-CD 3.31Å; S273-K277 WeakPolarHBondContact O-CG 3.36Å; S273-K277 PolarHBondContact O-N 3Å; S273-K277 VanDerWaalsContact OG-CE 3.31Å; S273-K277 WeakPolarHBondContact OG-CE 3.22Å; S273-K277 PolarHBondContact OG-NZ 2.73Å |
| 274 | E | 95.2 | Very high | 91.1 | Very high | 89 Ų | 89 | 26 Ų | 26 | 42% | 0.416 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -68.2 | -41.4 | 179 | -72.6 | 159.7 | 136 | 0 | 0 | 111.2 | F270 T271 L272 K277 A278 | F270-E274 HydrophobicContact CB-CB 4.39Å; F270-E274 HydrophobicContact CD1-CB 4.42Å; T271-E274 WeakPolarHBondContact CB-OE2 3.27Å; T271-E274 WeakPolarHBondContact CG2-OE2 3.39Å; T271-E274 PolarHBondContact N-OE2 3.35Å; T271-E274 PolarHBondContact O-N 3.18Å; T271-E274 VanDerWaalsContact O-N 3.11Å; T271-E274 VanDerWaalsContact OG1-CD 3.26Å; T271-E274 VanDerWaalsContact OG1-CG 3.28Å; T271-E274 WeakPolarHBondContact OG1-CG 3.36Å; T271-E274 PolarHBondContact OG1-N 3.39Å; T271-E274 PolarHBondContact OG1-OE2 2.94Å; L272-E274 PolarHBondContact O-N 2.78Å; E274-K277 PolarHBondContact O-N 3.3Å; E274-A278 WeakPolarHBondContact O-CB 3.36Å; E274-A278 PolarHBondContact O-N 3.02Å |
| 275 | I | 95.1 | Very high | 90 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.2 | -50.8 | 175.1 | -64.8 | 168.6 | 0 | 0 | 0 | 110.5 | F213 L237 T239 F270 T271 L272 K277 A278 I279 I334 P335 | F213-I275 HydrophobicContact CD1-CG2 4.48Å; F213-I275 HydrophobicContact CE1-CG2 3.98Å; F213-I275 HydrophobicContact CZ-CG2 4.38Å; L237-I275 HydrophobicContact CB-CD1 4.32Å; L237-I275 HydrophobicContact CD2-CD1 4.35Å; T239-I275 HydrophobicContact CG2-CD1 4.29Å; F270-I275 HydrophobicContact CB-CD1 4.33Å; F270-I275 HydrophobicContact CB-CG1 4Å; T271-I275 WeakPolarHBondContact O-CG1 3.29Å; T271-I275 PolarHBondContact O-N 2.92Å; T271-I275 VanDerWaalsContact O-N 3.1Å; L272-I275 PolarHBondContact O-N 2.92Å; I275-K277 PolarHBondContact O-N 3.19Å; I275-A278 PolarHBondContact O-N 3.4Å; I275-I279 HydrophobicContact CG2-CD1 3.91Å; I275-I279 VanDerWaalsContact O-CG1 3.25Å; I275-I279 WeakPolarHBondContact O-CG1 3.4Å; I275-I279 PolarHBondContact O-N 2.75Å; I275-I334 HydrophobicContact CG2-CB 4.46Å; I275-I334 HydrophobicContact CG2-CD1 4.01Å; I275-I334 HydrophobicContact CG2-CG2 4.15Å; I275-P335 HydrophobicContact CG1-CG 4.32Å |
| 276 | V | 94 | Very high | 89.4 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.5 | -39.1 | -180 | 177.5 | 0 | 0 | 0 | 0 | 111.6 | L216 L227 I229 L272 I279 S280 T288 | L216-V276 HydrophobicContact CD1-CG2 3.9Å; L227-V276 HydrophobicContact CB-CG1 3.65Å; L227-V276 HydrophobicContact CD1-CG1 4.3Å; I229-V276 HydrophobicContact CG1-CB 3.92Å; I229-V276 HydrophobicContact CG1-CG1 3.74Å; I229-V276 HydrophobicContact CG1-CG2 4.35Å; L272-V276 HydrophobicContact CD1-CG2 4.02Å; L272-V276 HydrophobicContact CG-CG2 4.17Å; L272-V276 WeakPolarHBondContact O-CB 3.4Å; L272-V276 WeakPolarHBondContact O-CG2 3.42Å; L272-V276 PolarHBondContact O-N 3.21Å; V276-I279 PolarHBondContact O-N 3.22Å; V276-S280 WeakPolarHBondContact O-CB 3.47Å; V276-S280 PolarHBondContact O-N 3.06Å; V276-T288 HydrophobicContact CG1-CG2 3.96Å |
| 277 | K | 92.7 | Very high | 88.8 | Confident | 102 Ų | 102 | 32.1 Ų | 32.1 | 44% | 0.443 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -65.4 | -42.4 | 175.2 | -77.6 | 168.3 | 177.9 | 159.6 | 0 | 112 | S273 E274 I275 S280 S281 T288 | S273-K277 VanDerWaalsContact O-CB 3.27Å; S273-K277 WeakPolarHBondContact O-CB 3.25Å; S273-K277 WeakPolarHBondContact O-CD 3.31Å; S273-K277 WeakPolarHBondContact O-CG 3.36Å; S273-K277 PolarHBondContact O-N 3Å; S273-K277 VanDerWaalsContact OG-CE 3.31Å; S273-K277 WeakPolarHBondContact OG-CE 3.22Å; S273-K277 PolarHBondContact OG-NZ 2.73Å; E274-K277 PolarHBondContact O-N 3.3Å; I275-K277 PolarHBondContact O-N 3.19Å; K277-S280 PolarHBondContact O-N 3.14Å; K277-S281 WeakPolarHBondContact O-CB 3.43Å; K277-S281 PolarHBondContact O-N 3.17Å; K277-S281 PolarHBondContact O-OG 3.17Å; K277-T288 HydrophobicContact CG-CG2 3.82Å |
| 278 | A | 93.2 | Very high | 88.6 | Confident | 11 Ų | 11 | 29.8 Ų | 29.8 | 9% | 0.091 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.1 | -50.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | E274 I275 S280 S281 G282 P335 I338 | E274-A278 WeakPolarHBondContact O-CB 3.36Å; E274-A278 PolarHBondContact O-N 3.02Å; I275-A278 PolarHBondContact O-N 3.4Å; A278-S280 PolarHBondContact O-N 3.02Å; A278-S281 PolarHBondContact O-N 2.84Å; A278-S281 PolarHBondContact O-OG 2.85Å; A278-G282 PolarHBondContact O-N 3.35Å; A278-P335 HydrophobicContact CB-CB 3.88Å; A278-P335 HydrophobicContact CB-CG 4.19Å; A278-I338 HydrophobicContact CB-CG1 4.37Å |
| 279 | I | 91.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.8 | -48.4 | 176 | -61.9 | 164.8 | 0 | 0 | 0 | 111.1 | L216 F217 A220 L227 I275 V276 S281 G282 L283 I338 | L216-I279 HydrophobicContact CB-CD1 4.39Å; L216-I279 HydrophobicContact CB-CG2 4.4Å; L216-I279 HydrophobicContact CD1-CD1 4.1Å; F217-I279 HydrophobicContact CD2-CD1 3.98Å; F217-I279 HydrophobicContact CD2-CG1 4.11Å; F217-I279 HydrophobicContact CD2-CG2 3.63Å; F217-I279 HydrophobicContact CE2-CB 4.3Å; F217-I279 HydrophobicContact CE2-CD1 3.51Å; F217-I279 HydrophobicContact CE2-CG1 3.47Å; F217-I279 VanDerWaalsContact CE2-CG1 3.47Å; F217-I279 HydrophobicContact CE2-CG2 3.82Å; F217-I279 HydrophobicContact CG-CG2 4.23Å; F217-I279 HydrophobicContact CZ-CG1 4.1Å; A220-I279 HydrophobicContact CB-CG2 4.45Å; L227-I279 HydrophobicContact CD1-CB 4.27Å; L227-I279 HydrophobicContact CD1-CG2 3.88Å; I275-I279 HydrophobicContact CG2-CD1 3.91Å; I275-I279 VanDerWaalsContact O-CG1 3.25Å; I275-I279 WeakPolarHBondContact O-CG1 3.4Å; I275-I279 PolarHBondContact O-N 2.75Å; V276-I279 PolarHBondContact O-N 3.22Å; I279-S281 PolarHBondContact O-N 3.09Å; I279-G282 PolarHBondContact O-N 3.36Å; I279-L283 HydrophobicContact CG2-CD1 4.05Å; I279-L283 WeakPolarHBondContact O-CB 3.34Å; I279-L283 PolarHBondContact O-N 3.06Å; I279-I338 HydrophobicContact CG1-CD1 4Å |
| 280 | S | 89.6 | Confident | 88.6 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.6 | -40.8 | 178.9 | -167.7 | 0 | 0 | 0 | 0 | 112.4 | V276 K277 A278 S284 N285 G286 V287 | V276-S280 WeakPolarHBondContact O-CB 3.47Å; V276-S280 PolarHBondContact O-N 3.06Å; K277-S280 PolarHBondContact O-N 3.14Å; A278-S280 PolarHBondContact O-N 3.02Å; S280-S284 CarbonylContact O-C 3.5Å; S280-S284 VanDerWaalsContact O-CA 3.23Å; S280-S284 WeakPolarHBondContact O-CA 3.44Å; S280-S284 VanDerWaalsContact O-CB 3.27Å; S280-S284 WeakPolarHBondContact O-CB 3.42Å; S280-S284 PolarHBondContact O-N 3.37Å; S280-N285 PolarHBondContact O-N 2.9Å; S280-G286 PolarHBondContact O-N 3.44Å; S280-G286 VanDerWaalsContact OG-C 3.25Å; S280-G286 WeakPolarHBondContact OG-CA 3.48Å; S280-G286 PolarHBondContact OG-N 2.82Å; S280-V287 PolarHBondContact OG-N 3.11Å; S280-V287 PolarHBondContact OG-O 3.36Å |
| 281 | S | 86.9 | Confident | 88.2 | Confident | 68 Ų | 68 | 34.3 Ų | 34.3 | 48% | 0.476 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -72.4 | -34.1 | -178.8 | 69.7 | 0 | 0 | 0 | 0 | 113.4 | K277 A278 I279 | K277-S281 WeakPolarHBondContact O-CB 3.43Å; K277-S281 PolarHBondContact O-N 3.17Å; K277-S281 PolarHBondContact O-OG 3.17Å; A278-S281 PolarHBondContact O-N 2.84Å; A278-S281 PolarHBondContact O-OG 2.85Å; I279-S281 PolarHBondContact O-N 3.09Å |
| 282 | G | 84.2 | Confident | 87.7 | Confident | 8 Ų | 8 | 36.3 Ų | 36.3 | 8% | 0.082 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -79.4 | -38.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A278 I279 K566 | A278-G282 PolarHBondContact O-N 3.35Å; I279-G282 PolarHBondContact O-N 3.36Å; G282-K566 WeakPolarHBondContact O-CD 3.28Å |
| 283 | L | 80.5 | Confident | 87.1 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -98.4 | -27.2 | -175.3 | -72.1 | 178.8 | 0 | 0 | 0 | 115.2 | F217 A220 W221 I279 I342 N570 | F217-L283 HydrophobicContact CB-CD1 3.96Å; F217-L283 HydrophobicContact CD1-CD1 3.51Å; F217-L283 HydrophobicContact CE1-CD1 4.12Å; F217-L283 HydrophobicContact CG-CD1 3.72Å; A220-L283 HydrophobicContact CB-CB 3.72Å; A220-L283 HydrophobicContact CB-CD1 3.95Å; W221-L283 HydrophobicContact CE3-CD2 3.97Å; W221-L283 HydrophobicContact CZ3-CD2 4.3Å; I279-L283 HydrophobicContact CG2-CD1 4.05Å; I279-L283 WeakPolarHBondContact O-CB 3.34Å; I279-L283 PolarHBondContact O-N 3.06Å; L283-I342 HydrophobicContact CD2-CB 4.14Å; L283-I342 HydrophobicContact CD2-CD1 3.81Å; L283-I342 HydrophobicContact CD2-CG1 3.56Å; L283-I342 HydrophobicContact CD2-CG2 3.61Å; L283-I342 HydrophobicContact CG-CD1 3.79Å; L283-I342 HydrophobicContact CG-CG1 3.8Å; L283-N570 WeakPolarHBondContact CA-ND2 3.46Å; L283-N570 PolarHBondContact O-ND2 3.32Å |
| 284 | S | 74.9 | Confident | 86.3 | Confident | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.028 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -132.7 | -131.8 | -166.1 | -177 | 0 | 0 | 0 | 0 | 110.1 | Q224 S280 | Q224-S284 WeakPolarHBondContact CA-OG 3.49Å; S280-S284 CarbonylContact O-C 3.5Å; S280-S284 VanDerWaalsContact O-CA 3.23Å; S280-S284 WeakPolarHBondContact O-CA 3.44Å; S280-S284 VanDerWaalsContact O-CB 3.27Å; S280-S284 WeakPolarHBondContact O-CB 3.42Å; S280-S284 PolarHBondContact O-N 3.37Å |
| 285 | N | 74 | Confident | 85.6 | Confident | 45 Ų | 45 | 46.9 Ų | 46.9 | 24% | 0.241 | 24% | 0.244 | C | C | . | . | trans | -111.5 | 4.6 | -174.8 | 58.7 | 13 | 0 | 0 | 0 | 113.6 | Q224 S280 V287 P516 | Q224-N285 PolarHBondContact O-ND2 2.97Å; S280-N285 PolarHBondContact O-N 2.9Å; N285-V287 HydrophobicContact CB-CG2 4.42Å; N285-V287 PolarHBondContact O-N 2.94Å; N285-V287 WeakPolarHBondContact OD1-CB 3.29Å; N285-V287 WeakPolarHBondContact OD1-CG2 3.14Å; N285-V287 PolarHBondContact OD1-N 2.89Å; N285-P516 HydrophobicContact CB-CG 4.1Å; N285-P516 VanDerWaalsContact O-CG 3.26Å; N285-P516 WeakPolarHBondContact O-CG 3.49Å | ||
| 286 | G | 80.5 | Confident | 84.6 | Confident | 28 Ų | 28 | 48 Ų | 48 | 29% | 0.289 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 76.6 | -5 | -177 | 0 | 0 | 0 | 0 | 0 | 115.6 | S280 | S280-G286 PolarHBondContact O-N 3.44Å; S280-G286 VanDerWaalsContact OG-C 3.25Å; S280-G286 WeakPolarHBondContact OG-CA 3.48Å; S280-G286 PolarHBondContact OG-N 2.82Å |
| 287 | V | 82.8 | Confident | 83.5 | Confident | 57 Ų | 57 | 56 Ų | 56 | 35% | 0.345 | 28% | 0.284 | S | S | . | . | trans | -74.6 | 137.8 | -179 | -172.8 | 0 | 0 | 0 | 0 | 109.9 | E226 L227 S280 N285 P516 | E226-V287 HydrophobicContact CB-CG1 3.95Å; L227-V287 PolarHBondContact N-O 3.39Å; S280-V287 PolarHBondContact OG-N 3.11Å; S280-V287 PolarHBondContact OG-O 3.36Å; N285-V287 HydrophobicContact CB-CG2 4.42Å; N285-V287 PolarHBondContact O-N 2.94Å; N285-V287 WeakPolarHBondContact OD1-CB 3.29Å; N285-V287 WeakPolarHBondContact OD1-CG2 3.14Å; N285-V287 PolarHBondContact OD1-N 2.89Å; V287-P516 HydrophobicContact CG2-CG 4.07Å | ||
| 288 | T | 88.2 | Confident | 82.3 | Confident | 32 Ų | 32 | 55.5 Ų | 55.5 | 20% | 0.196 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 151.7 | -178.9 | 57.2 | 0 | 0 | 0 | 0 | 109.6 | L227 I229 V276 K277 | L227-T288 HydrophobicContact CB-CG2 4.32Å; L227-T288 WeakPolarHBondContact O-CA 3.4Å; I229-T288 HydrophobicContact CD1-CG2 4.38Å; I229-T288 WeakPolarHBondContact CD1-OG1 3.01Å; V276-T288 HydrophobicContact CG1-CG2 3.96Å; K277-T288 HydrophobicContact CG-CG2 3.82Å |
| 289 | R | 88.1 | Confident | 81 | Confident | 100 Ų | 100 | 56.8 Ų | 56.8 | 38% | 0.377 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 141.4 | 178.3 | 167.2 | 176.5 | 172.4 | 174.4 | -0.9 | 111 | E226 L227 I229 Y291 E295 | E226-R289 HydrophobicContact CB-CB 4.08Å; E226-R289 HydrophobicContact CG-CB 3.99Å; E226-R289 WeakPolarHBondContact OE1-CD 3.41Å; E226-R289 IonicContact OE1-CZ 2.66Å; E226-R289 IonicContact OE1-NE 3.71Å; E226-R289 IonicContact OE1-NH1 3.31Å; E226-R289 PolarHBondContact OE1-NH1 3.47Å; E226-R289 WeakPolarHBondContact OE2-CB 3.19Å; E226-R289 WeakPolarHBondContact OE2-CD 3.46Å; L227-R289 PolarHBondContact O-N 3.4Å; I229-R289 PolarHBondContact N-O 2.95Å; R289-Y291 HydrophobicContact CB-CD2 4.43Å; R289-Y291 HydrophobicContact CB-CE2 4.04Å; R289-Y291 HydrophobicContact CG-CD2 4.04Å; R289-Y291 HydrophobicContact CG-CE2 3.83Å; R289-Y291 WeakPolarHBondContact O-CD2 3.5Å; R289-E295 IonicContact CZ-OE1 3.65Å; R289-E295 IonicContact NE-OE1 2.86Å; R289-E295 IonicContact NH2-OE1 3.06Å; R289-E295 PolarHBondContact NH2-OE1 3.34Å |
| 290 | I | 89.9 | Confident | 79.7 | Confident | 102 Ų | 102 | 65 Ų | 65 | 52% | 0.523 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 126.5 | 170.6 | -78.3 | 164.6 | 0 | 0 | 0 | 109.8 | I229 L231 | I229-I290 HydrophobicContact CB-CG1 4.38Å; I229-I290 HydrophobicContact CG2-CG1 4.33Å; L231-I290 WeakPolarHBondContact O-CG2 3.05Å |
| 291 | Y | 85.8 | Confident | 78.7 | Confident | 27 Ų | 27 | 66.6 Ų | 66.6 | 11% | 0.106 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 121.8 | 176.4 | -82.9 | -116 | 0 | 0 | 0 | 109.8 | P228 I229 L231 R289 E295 K299 | P228-Y291 HydrophobicContact CB-CD1 4.49Å; P228-Y291 HydrophobicContact CB-CD2 3.6Å; P228-Y291 HydrophobicContact CB-CE2 3.74Å; P228-Y291 HydrophobicContact CB-CG 4.03Å; I229-Y291 PolarHBondContact O-N 2.87Å; L231-Y291 WeakPolarHBondContact CA-O 3.46Å; L231-Y291 PolarHBondContact N-O 3.23Å; R289-Y291 HydrophobicContact CB-CD2 4.43Å; R289-Y291 HydrophobicContact CB-CE2 4.04Å; R289-Y291 HydrophobicContact CG-CD2 4.04Å; R289-Y291 HydrophobicContact CG-CE2 3.83Å; R289-Y291 WeakPolarHBondContact O-CD2 3.5Å; Y291-E295 WeakPolarHBondContact CA-OE2 3.3Å; Y291-E295 HydrophobicContact CD1-CB 3.64Å; Y291-E295 HydrophobicContact CE1-CB 4.36Å; Y291-E295 HydrophobicContact CG-CB 4.29Å; Y291-K299 HydrophobicContact CD1-CD 4.35Å; Y291-K299 HydrophobicContact CE1-CD 3.93Å; Y291-K299 HydrophobicContact CE1-CG 4.22Å |
| 292 | N | 84.8 | Confident | 77.9 | Confident | 72 Ų | 72 | 65.9 Ų | 65.9 | 39% | 0.385 | 34% | 0.337 | S | S | . | . | trans | -76.5 | 173.5 | 175.3 | 75.1 | 43.6 | 0 | 0 | 0 | 112.1 | E294 E295 M296 | N292-E294 PolarHBondContact O-N 2.85Å; N292-E294 VanDerWaalsContact O-N 3.14Å; N292-E294 WeakPolarHBondContact OD1-CA 3.46Å; N292-E294 WeakPolarHBondContact OD1-CB 3.3Å; N292-E294 PolarHBondContact OD1-N 3.26Å; N292-E295 VanDerWaalsContact CG-OE2 3.23Å; N292-E295 PolarHBondContact N-OE2 2.91Å; N292-E295 PolarHBondContact ND2-OE2 2.73Å; N292-E295 VanDerWaalsContact ND2-OE2 3.12Å; N292-E295 PolarHBondContact O-N 3.4Å; N292-E295 PolarHBondContact OD1-N 3.41Å; N292-M296 WeakPolarHBondContact O-CB 3.26Å; N292-M296 VanDerWaalsContact O-CG 3.23Å; N292-M296 WeakPolarHBondContact O-CG 3.33Å; N292-M296 PolarHBondContact O-N 3.4Å | ||
| 293 | Q | 81.4 | Confident | 77.6 | Confident | 130 Ų | 130 | 69.5 Ų | 69.5 | 61% | 0.607 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.3 | -20.4 | -177.6 | -69.8 | -172.8 | 5.2 | 0 | 0 | 115.2 | L231 K297 | L231-Q293 HydrophobicContact CD2-CG 3.62Å; Q293-K297 WeakPolarHBondContact O-CD 3.26Å; Q293-K297 WeakPolarHBondContact O-CE 3.3Å; Q293-K297 WeakPolarHBondContact O-CG 3.25Å |
| 294 | E | 78.9 | Confident | 77.6 | Confident | 152 Ų | 152 | 72.7 Ų | 72.7 | 71% | 0.71 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -85.3 | -45.6 | 177.1 | -55.1 | -173 | 155 | 0 | 0 | 110.1 | N292 M296 K297 S298 | N292-E294 PolarHBondContact O-N 2.85Å; N292-E294 VanDerWaalsContact O-N 3.14Å; N292-E294 WeakPolarHBondContact OD1-CA 3.46Å; N292-E294 WeakPolarHBondContact OD1-CB 3.3Å; N292-E294 PolarHBondContact OD1-N 3.26Å; E294-M296 VanDerWaalsContact C-N 3.3Å; E294-M296 PolarHBondContact O-N 3.01Å; E294-K297 PolarHBondContact O-N 2.66Å; E294-K297 VanDerWaalsContact O-N 3.12Å; E294-S298 PolarHBondContact O-N 2.85Å |
| 295 | E | 79.5 | Confident | 77.9 | Confident | 45 Ų | 45 | 72.7 Ų | 72.7 | 21% | 0.21 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.3 | -38.5 | 173 | -63.3 | 170.9 | 121.1 | 0 | 0 | 111.3 | R289 Y291 N292 K297 S298 K299 | R289-E295 IonicContact CZ-OE1 3.65Å; R289-E295 IonicContact NE-OE1 2.86Å; R289-E295 IonicContact NH2-OE1 3.06Å; R289-E295 PolarHBondContact NH2-OE1 3.34Å; Y291-E295 WeakPolarHBondContact CA-OE2 3.3Å; Y291-E295 HydrophobicContact CD1-CB 3.64Å; Y291-E295 HydrophobicContact CE1-CB 4.36Å; Y291-E295 HydrophobicContact CG-CB 4.29Å; N292-E295 VanDerWaalsContact CG-OE2 3.23Å; N292-E295 PolarHBondContact N-OE2 2.91Å; N292-E295 PolarHBondContact ND2-OE2 2.73Å; N292-E295 VanDerWaalsContact ND2-OE2 3.12Å; N292-E295 PolarHBondContact O-N 3.4Å; N292-E295 PolarHBondContact OD1-N 3.41Å; E295-K297 VanDerWaalsContact C-N 3.29Å; E295-K297 PolarHBondContact O-N 2.68Å; E295-S298 WeakPolarHBondContact O-CB 3.48Å; E295-S298 PolarHBondContact O-N 2.93Å; E295-S298 PolarHBondContact O-OG 2.73Å; E295-K299 PolarHBondContact O-N 2.67Å |
| 296 | M | 74.2 | Confident | 78.4 | Confident | 25 Ų | 25 | 71.3 Ų | 71.3 | 12% | 0.123 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.8 | -36.1 | 173.5 | -76.3 | 177.4 | 70.9 | 0 | 0 | 113.4 | Y230 L231 N292 E294 S298 T306 | Y230-M296 HydrophobicContact CD1-CE 3.82Å; Y230-M296 HydrophobicContact CD1-CG 3.8Å; Y230-M296 HydrophobicContact CD1-SD 4.06Å; Y230-M296 HydrophobicContact CG-CE 3.9Å; Y230-M296 HydrophobicContact CG-SD 4.37Å; L231-M296 HydrophobicContact CD2-SD 3.8Å; L231-M296 HydrophobicContact CG-SD 4.14Å; N292-M296 WeakPolarHBondContact O-CB 3.26Å; N292-M296 VanDerWaalsContact O-CG 3.23Å; N292-M296 WeakPolarHBondContact O-CG 3.33Å; N292-M296 PolarHBondContact O-N 3.4Å; E294-M296 VanDerWaalsContact C-N 3.3Å; E294-M296 PolarHBondContact O-N 3.01Å; M296-S298 VanDerWaalsContact C-N 3.28Å; M296-T306 HydrophobicContact CE-CG2 3.67Å |
| 297 | K | 72 | Confident | 78.7 | Confident | 167 Ų | 167 | 71 Ų | 71 | 73% | 0.726 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -74.5 | -20 | 176.3 | -68.6 | 165.8 | -171.3 | 166.5 | 0 | 112.8 | Q293 E294 E295 | Q293-K297 WeakPolarHBondContact O-CD 3.26Å; Q293-K297 WeakPolarHBondContact O-CE 3.3Å; Q293-K297 WeakPolarHBondContact O-CG 3.25Å; E294-K297 PolarHBondContact O-N 2.66Å; E294-K297 VanDerWaalsContact O-N 3.12Å; E295-K297 VanDerWaalsContact C-N 3.29Å; E295-K297 PolarHBondContact O-N 2.68Å |
| 298 | S | 68 | Low | 79.1 | Confident | 92 Ų | 92 | 68.6 Ų | 68.6 | 64% | 0.643 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -80.7 | -26.1 | 177.2 | 76.9 | 0 | 0 | 0 | 0 | 113.1 | E294 E295 M296 | E294-S298 PolarHBondContact O-N 2.85Å; E295-S298 WeakPolarHBondContact O-CB 3.48Å; E295-S298 PolarHBondContact O-N 2.93Å; E295-S298 PolarHBondContact O-OG 2.73Å; M296-S298 VanDerWaalsContact C-N 3.28Å |
| 299 | K | 64 | Low | 79.3 | Confident | 37 Ų | 37 | 67.1 Ų | 67.1 | 16% | 0.161 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -76.3 | 135 | 167.9 | -74.2 | -162.5 | 159.2 | -168 | 0 | 109.2 | E219 P228 Y291 E295 I301 | E219-K299 IonicContact OE1-NZ 3.95Å; E219-K299 PolarHBondContact OE1-NZ 3.38Å; E219-K299 IonicContact OE2-NZ 3.93Å; E219-K299 PolarHBondContact OE2-NZ 3.4Å; P228-K299 HydrophobicContact CB-CD 4.42Å; P228-K299 HydrophobicContact CG-CD 4.43Å; Y291-K299 HydrophobicContact CD1-CD 4.35Å; Y291-K299 HydrophobicContact CE1-CD 3.93Å; Y291-K299 HydrophobicContact CE1-CG 4.22Å; E295-K299 PolarHBondContact O-N 2.67Å; K299-I301 HydrophobicContact CB-CD1 3.98Å; K299-I301 HydrophobicContact CB-CG1 4.04Å; K299-I301 HydrophobicContact CD-CD1 4.05Å; K299-I301 PolarHBondContact O-N 2.8Å |
| 300 | E | 65.8 | Low | 79.4 | Confident | 174 Ų | 174 | 64.4 Ų | 64.4 | 81% | 0.813 | 33% | 0.328 | S | S | * | . | trans | -71.6 | 43.4 | 178.2 | -60.7 | -175.7 | 142.7 | 0 | 0 | 113 | P302 | E300-P302 WeakPolarHBondContact O-CD 3.44Š| ||
| 301 | I | 67.7 | Low | 79.5 | Confident | 32 Ų | 32 | 59.7 Ų | 59.7 | 16% | 0.164 | 30% | 0.304 | C | S | . | . | trans | -102.4 | 116.2 | -174.9 | -60.8 | 177.3 | 0 | 0 | 0 | 108.7 | Y230 K299 I305 T306 | Y230-I301 HydrophobicContact CE1-CD1 4.42Å; Y230-I301 WeakPolarHBondContact OH-CD1 3.41Å; K299-I301 HydrophobicContact CB-CD1 3.98Å; K299-I301 HydrophobicContact CB-CG1 4.04Å; K299-I301 HydrophobicContact CD-CD1 4.05Å; K299-I301 PolarHBondContact O-N 2.8Å; I301-I305 HydrophobicContact CG2-CB 4.33Å; I301-I305 HydrophobicContact CG2-CG2 4.32Å; I301-T306 HydrophobicContact CG2-CG2 4.08Å | ||
| 302 | P | 71.3 | Confident | 79.8 | Confident | 53 Ų | 53 | 63.1 Ų | 63.1 | 34% | 0.344 | 32% | 0.324 | S | S | . | . | trans | -58.8 | 141 | -176.2 | -33.5 | 40.8 | 0 | 0 | 0 | 114.7 | E300 Q304 I305 I869 | E300-P302 WeakPolarHBondContact O-CD 3.44Å; P302-Q304 VanDerWaalsContact C-N 3.25Å; P302-Q304 PolarHBondContact O-N 2.74Å; P302-Q304 VanDerWaalsContact O-N 3.13Å; P302-I305 WeakPolarHBondContact O-CB 3.39Å; P302-I305 PolarHBondContact O-N 3.27Å; P302-I869 HydrophobicContact CB-CD1 3.9Å; P302-I869 HydrophobicContact CB-CG2 3.73Å; P302-I869 VanDerWaalsContact CD-CD1 3.42Å; P302-I869 HydrophobicContact CG-CB 4.25Å; P302-I869 HydrophobicContact CG-CD1 3.4Å; P302-I869 HydrophobicContact CG-CG1 4.4Å; P302-I869 HydrophobicContact CG-CG2 3.91Å | ||
| 303 | T | 78.1 | Confident | 80.2 | Confident | 85 Ų | 85 | 59.9 Ų | 59.9 | 52% | 0.521 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61 | -32.9 | -166.5 | -40.3 | 0 | 0 | 0 | 0 | 113.1 | I305 T306 D307 | T303-I305 VanDerWaalsContact C-N 3.28Å; T303-I305 PolarHBondContact O-N 3.15Å; T303-T306 WeakPolarHBondContact CA-OG1 3.21Å; T303-T306 PolarHBondContact O-N 3.33Å; T303-T306 VanDerWaalsContact O-N 3.15Å; T303-T306 PolarHBondContact O-OG1 2.83Å; T303-D307 PolarHBondContact O-N 2.92Å |
| 304 | Q | 78.8 | Confident | 80.7 | Confident | 68 Ų | 68 | 58.6 Ų | 58.6 | 32% | 0.318 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -56.7 | -39.4 | 175.5 | -69.9 | 178.5 | -12.9 | 0 | 0 | 112.7 | P302 D307 I308 | P302-Q304 VanDerWaalsContact C-N 3.25Å; P302-Q304 PolarHBondContact O-N 2.74Å; P302-Q304 VanDerWaalsContact O-N 3.13Å; Q304-D307 PolarHBondContact O-N 2.85Å; Q304-I308 VanDerWaalsContact O-CG1 3.3Å; Q304-I308 WeakPolarHBondContact O-CG1 3.43Å; Q304-I308 PolarHBondContact O-N 2.99Å |
| 305 | I | 82.4 | Confident | 81.3 | Confident | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.015 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.3 | -47.1 | 176.5 | -61.2 | -156.5 | 0 | 0 | 0 | 110 | L212 I301 P302 T303 D307 I308 L309 I867 I869 | L212-I305 HydrophobicContact CD2-CB 4.21Å; L212-I305 HydrophobicContact CD2-CD1 3.61Å; L212-I305 HydrophobicContact CD2-CG1 3.55Å; L212-I305 HydrophobicContact CD2-CG2 4.17Å; I301-I305 HydrophobicContact CG2-CB 4.33Å; I301-I305 HydrophobicContact CG2-CG2 4.32Å; P302-I305 WeakPolarHBondContact O-CB 3.39Å; P302-I305 PolarHBondContact O-N 3.27Å; T303-I305 VanDerWaalsContact C-N 3.28Å; T303-I305 PolarHBondContact O-N 3.15Å; I305-D307 VanDerWaalsContact C-N 3.28Å; I305-D307 PolarHBondContact O-N 3.17Å; I305-I308 PolarHBondContact O-N 3.38Å; I305-L309 HydrophobicContact CG2-CD1 3.64Å; I305-L309 HydrophobicContact CG2-CG 4.08Å; I305-L309 WeakPolarHBondContact O-CB 3.47Å; I305-L309 WeakPolarHBondContact O-CG 3.29Å; I305-L309 PolarHBondContact O-N 3.32Å; I305-I867 HydrophobicContact CD1-CD1 3.62Å; I305-I867 HydrophobicContact CD1-CG2 4.02Å; I305-I869 HydrophobicContact CD1-CD1 3.3Å; I305-I869 HydrophobicContact CD1-CG1 3.76Å; I305-I869 HydrophobicContact CG1-CD1 3.93Å; I305-I869 HydrophobicContact CG1-CG1 4.34Å |
| 306 | T | 84.5 | Confident | 81.9 | Confident | 16 Ų | 16 | 52.7 Ų | 52.7 | 10% | 0.098 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.3 | -35.3 | 177.7 | 60.5 | 0 | 0 | 0 | 0 | 112.2 | M296 I301 T303 T310 | M296-T306 HydrophobicContact CE-CG2 3.67Å; I301-T306 HydrophobicContact CG2-CG2 4.08Å; T303-T306 WeakPolarHBondContact CA-OG1 3.21Å; T303-T306 PolarHBondContact O-N 3.33Å; T303-T306 VanDerWaalsContact O-N 3.15Å; T303-T306 PolarHBondContact O-OG1 2.83Å; T306-T310 WeakPolarHBondContact O-CB 3.45Å; T306-T310 VanDerWaalsContact O-CG2 3.29Å; T306-T310 WeakPolarHBondContact O-CG2 3.41Å; T306-T310 PolarHBondContact O-N 3.01Å; T306-T310 VanDerWaalsContact O-N 3.09Å; T306-T310 PolarHBondContact O-OG1 3.08Å |
| 307 | D | 87.4 | Confident | 82.8 | Confident | 21 Ų | 21 | 51.6 Ų | 51.6 | 11% | 0.112 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 174.6 | -67.4 | -52.4 | 0 | 0 | 0 | 111.3 | M145 H171 K173 F174 T303 Q304 I305 T310 | M145-D307 HydrophobicContact CE-CB 4.2Å; M145-D307 WeakPolarHBondContact CE-O 3.47Å; H171-D307 IonicContact CE1-OD1 3.89Å; K173-D307 WeakPolarHBondContact CD-OD2 3.45Å; K173-D307 WeakPolarHBondContact CE-OD2 3.5Å; K173-D307 IonicContact NZ-OD1 2.83Å; K173-D307 PolarHBondContact NZ-OD1 2.88Å; K173-D307 IonicContact NZ-OD2 3.34Å; K173-D307 PolarHBondContact NZ-OD2 3.03Å; F174-D307 HydrophobicContact CE2-CB 4.21Å; T303-D307 PolarHBondContact O-N 2.92Å; Q304-D307 PolarHBondContact O-N 2.85Å; I305-D307 VanDerWaalsContact C-N 3.28Å; I305-D307 PolarHBondContact O-N 3.17Å; D307-T310 PolarHBondContact O-OG1 3.02Å |
| 308 | I | 90.7 | Very high | 83.7 | Confident | 8 Ų | 8 | 44.6 Ų | 44.6 | 4% | 0.041 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -74.2 | -44.7 | 179.5 | -67.3 | 165.9 | 0 | 0 | 0 | 111.3 | M145 F174 V204 L212 L237 Q304 I305 T310 M311 | M145-I308 HydrophobicContact CG-CG1 4.09Å; M145-I308 HydrophobicContact SD-CG1 4.29Å; F174-I308 HydrophobicContact CZ-CD1 4.33Å; F174-I308 HydrophobicContact CZ-CG1 4.03Å; V204-I308 HydrophobicContact CG2-CG2 3.65Å; L212-I308 HydrophobicContact CD1-CD1 4.21Å; L212-I308 HydrophobicContact CD1-CG2 3.87Å; L237-I308 WeakPolarHBondContact CD1-O 3.42Å; Q304-I308 VanDerWaalsContact O-CG1 3.3Å; Q304-I308 WeakPolarHBondContact O-CG1 3.43Å; Q304-I308 PolarHBondContact O-N 2.99Å; I305-I308 PolarHBondContact O-N 3.38Å; I308-T310 VanDerWaalsContact C-N 3.29Å; I308-T310 PolarHBondContact O-N 2.9Å; I308-M311 WeakPolarHBondContact O-CB 3.43Å; I308-M311 PolarHBondContact O-N 3.38Å; I308-M311 VanDerWaalsContact O-N 3.14Å |
| 309 | L | 91.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.7 | -21 | -178.6 | -67.3 | -178.6 | 0 | 0 | 0 | 113.7 | V204 F213 Y230 N235 L237 I305 M311 | V204-L309 HydrophobicContact CG1-CD2 4.36Å; F213-L309 HydrophobicContact CD1-CD2 4.19Å; F213-L309 HydrophobicContact CE1-CD2 3.65Å; F213-L309 HydrophobicContact CZ-CD2 4.19Å; Y230-L309 HydrophobicContact CD2-CB 4.4Å; Y230-L309 HydrophobicContact CD2-CD1 4.24Å; Y230-L309 HydrophobicContact CE2-CD1 3.88Å; N235-L309 PolarHBondContact ND2-O 3.42Å; L237-L309 HydrophobicContact CD2-CD2 3.86Å; I305-L309 HydrophobicContact CG2-CD1 3.64Å; I305-L309 HydrophobicContact CG2-CG 4.08Å; I305-L309 WeakPolarHBondContact O-CB 3.47Å; I305-L309 WeakPolarHBondContact O-CG 3.29Å; I305-L309 PolarHBondContact O-N 3.32Å; L309-M311 VanDerWaalsContact C-N 3.32Å |
| 310 | T | 90.7 | Very high | 86.2 | Confident | 43 Ų | 43 | 39 Ų | 39 | 26% | 0.264 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 6.4 | 171.8 | 56.9 | 0 | 0 | 0 | 0 | 113.4 | L231 T306 D307 I308 N312 | L231-T310 HydrophobicContact CD1-CG2 3.82Å; L231-T310 HydrophobicContact CG-CG2 4.23Å; T306-T310 WeakPolarHBondContact O-CB 3.45Å; T306-T310 VanDerWaalsContact O-CG2 3.29Å; T306-T310 WeakPolarHBondContact O-CG2 3.41Å; T306-T310 PolarHBondContact O-N 3.01Å; T306-T310 VanDerWaalsContact O-N 3.09Å; T306-T310 PolarHBondContact O-OG1 3.08Å; D307-T310 PolarHBondContact O-OG1 3.02Å; I308-T310 VanDerWaalsContact C-N 3.29Å; I308-T310 PolarHBondContact O-N 2.9Å; T310-N312 PolarHBondContact O-N 3.35Å |
| 311 | M | 91.9 | Very high | 87.2 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.015 | 18% | 0.182 | C | C | . | . | trans | -57.5 | 128.5 | 169.7 | 173.4 | 163.5 | 57.8 | 0 | 0 | 110.4 | L144 M145 V148 V204 N235 L237 I308 L309 L313 | L144-M311 HydrophobicContact CB-CE 4.16Å; L144-M311 HydrophobicContact CB-SD 3.79Å; M145-M311 HydrophobicContact SD-CB 4.12Å; M145-M311 HydrophobicContact SD-CG 4.48Å; M145-M311 HydrophobicContact SD-SD 4Å; V148-M311 HydrophobicContact CG2-CB 4.41Å; V148-M311 HydrophobicContact CG2-CG 3.79Å; V148-M311 HydrophobicContact CG2-SD 3.86Å; V204-M311 HydrophobicContact CG2-CE 4.32Å; N235-M311 PolarHBondContact ND2-O 3.25Å; L237-M311 HydrophobicContact CD1-CB 3.95Å; L237-M311 HydrophobicContact CD1-CE 4Å; I308-M311 WeakPolarHBondContact O-CB 3.43Å; I308-M311 PolarHBondContact O-N 3.38Å; I308-M311 VanDerWaalsContact O-N 3.14Å; L309-M311 VanDerWaalsContact C-N 3.32Å; M311-L313 HydrophobicContact CG-CB 3.96Å; M311-L313 HydrophobicContact SD-CB 4.29Å; M311-L313 HydrophobicContact SD-CD2 4.26Å | ||
| 312 | N | 92.7 | Very high | 88.1 | Confident | 99 Ų | 99 | 41.1 Ų | 41.1 | 53% | 0.529 | 21% | 0.209 | S | C | . | . | trans | -116.7 | 103.3 | 170.6 | -167.8 | 7.1 | 0 | 0 | 0 | 108.2 | N235 I236 T310 | N235-N312 HydrophobicContact CB-CB 3.68Å; I236-N312 PolarHBondContact N-OD1 3.46Å; I236-N312 WeakPolarHBondContact O-CA 3.25Å; T310-N312 PolarHBondContact O-N 3.35Å | ||
| 313 | L | 92.2 | Very high | 88.7 | Confident | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | trans | -147.9 | 121.3 | -174.4 | -172.3 | 70.6 | 0 | 0 | 0 | 111.7 | L144 W147 F160 I236 P238 M311 I315 | L144-L313 HydrophobicContact CB-CD2 3.82Å; L144-L313 HydrophobicContact CD1-CD2 4.21Å; L144-L313 HydrophobicContact CD2-CD2 4.18Å; L144-L313 HydrophobicContact CG-CD2 4.29Å; W147-L313 HydrophobicContact CB-CD1 4.09Å; W147-L313 HydrophobicContact CB-CD2 3.92Å; W147-L313 HydrophobicContact CG-CD2 4.47Å; F160-L313 HydrophobicContact CD2-CD1 3.53Å; F160-L313 HydrophobicContact CE2-CD1 3.68Å; I236-L313 PolarHBondContact O-N 3.48Å; P238-L313 WeakPolarHBondContact CD-O 3.34Å; P238-L313 HydrophobicContact CG-CB 4.05Å; P238-L313 WeakPolarHBondContact CG-O 3.44Å; M311-L313 HydrophobicContact CG-CB 3.96Å; M311-L313 HydrophobicContact SD-CB 4.29Å; M311-L313 HydrophobicContact SD-CD2 4.26Å; L313-I315 HydrophobicContact CD2-CB 4.41Å; L313-I315 HydrophobicContact CD2-CG2 3.94Å; L313-I315 HydrophobicContact CG-CB 4.31Å; L313-I315 HydrophobicContact CG-CG2 4.15Å | ||
| 314 | R | 92.6 | Very high | 89.1 | Confident | 102 Ų | 102 | 39.5 Ų | 39.5 | 39% | 0.385 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 117.3 | 165.9 | -63.8 | 178.4 | -175.6 | -173.3 | -2 | 107.9 | G159 F160 | G159-R314 WeakPolarHBondContact CA-O 3.28Å; F160-R314 PolarHBondContact N-O 3.24Å |
| 315 | I | 92 | Very high | 89.3 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.015 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 138.3 | -179.7 | -173.4 | 161.7 | 0 | 0 | 0 | 110.4 | L144 W147 F160 V263 R265 L313 | L144-I315 HydrophobicContact CD1-CG2 4.1Å; L144-I315 HydrophobicContact CD2-CD1 4.4Å; L144-I315 HydrophobicContact CD2-CG2 4.43Å; W147-I315 HydrophobicContact CD2-CD1 3.76Å; W147-I315 HydrophobicContact CE3-CD1 3.97Å; W147-I315 HydrophobicContact CG-CD1 4.37Å; W147-I315 HydrophobicContact CH2-CD1 3.76Å; W147-I315 HydrophobicContact CZ2-CD1 3.57Å; W147-I315 HydrophobicContact CZ3-CD1 3.98Å; F160-I315 HydrophobicContact CB-CB 4.21Å; F160-I315 HydrophobicContact CB-CD1 4.1Å; F160-I315 HydrophobicContact CB-CG1 3.94Å; F160-I315 CarbonylContact O-C 3.59Å; F160-I315 VanDerWaalsContact O-CA 3.29Å; F160-I315 WeakPolarHBondContact O-CA 3.37Å; V263-I315 HydrophobicContact CG1-CD1 4.29Å; V263-I315 HydrophobicContact CG1-CG1 4.2Å; V263-I315 HydrophobicContact CG1-CG2 3.88Å; V263-I315 HydrophobicContact CG2-CD1 3.71Å; V263-I315 HydrophobicContact CG2-CG1 4.29Å; R265-I315 VanDerWaalsContact CD-O 3.22Å; R265-I315 WeakPolarHBondContact CD-O 3.41Å; L313-I315 HydrophobicContact CD2-CB 4.41Å; L313-I315 HydrophobicContact CD2-CG2 3.94Å; L313-I315 HydrophobicContact CG-CB 4.31Å; L313-I315 HydrophobicContact CG-CG2 4.15Å |
| 316 | E | 91.3 | Very high | 89.3 | Confident | 70 Ų | 70 | 45 Ų | 45 | 33% | 0.327 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 119.4 | -176.2 | -170.8 | 63.4 | -169.1 | 0 | 0 | 111.6 | F160 E162 S318 K321 | F160-E316 PolarHBondContact O-N 3.49Å; E162-E316 PolarHBondContact N-O 3.36Å; E316-S318 VanDerWaalsContact C-N 3.29Å; E316-S318 PolarHBondContact O-N 2.86Å; E316-K321 VanDerWaalsContact OE1-CD 3.26Å; E316-K321 WeakPolarHBondContact OE1-CD 3.5Å; E316-K321 WeakPolarHBondContact OE1-CE 3.42Å; E316-K321 IonicContact OE1-NZ 3.59Å; E316-K321 PolarHBondContact OE1-NZ 3.22Å; E316-K321 IonicContact OE2-NZ 3.37Å |
| 317 | P | 92.7 | Very high | 89.3 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.013 | 23% | 0.234 | C | C | . | . | trans | -83.2 | 63.7 | -176.7 | 36.1 | -37.7 | 0 | 0 | 0 | 112 | V263 R265 T319 I320 K321 | V263-P317 HydrophobicContact CB-CB 4.41Å; V263-P317 HydrophobicContact CG1-CB 4.25Å; V263-P317 VanDerWaalsContact O-CB 3.23Å; V263-P317 WeakPolarHBondContact O-CB 3.34Å; R265-P317 HydrophobicContact CG-CB 4.22Å; R265-P317 HydrophobicContact CG-CG 4.08Å; P317-T319 VanDerWaalsContact C-N 3.28Å; P317-T319 PolarHBondContact O-N 3.2Å; P317-T319 VanDerWaalsContact O-N 3.13Å; P317-I320 HydrophobicContact CB-CD1 4.3Å; P317-I320 PolarHBondContact O-N 2.83Å; P317-I320 VanDerWaalsContact O-N 3.07Å; P317-K321 PolarHBondContact O-N 3.3Å | ||
| 318 | S | 91.6 | Very high | 89.3 | Confident | 21 Ų | 21 | 50.2 Ų | 50.2 | 15% | 0.147 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -53.4 | -39.6 | -169.6 | 62.5 | 0 | 0 | 0 | 0 | 114.1 | E316 I320 K321 E322 | E316-S318 VanDerWaalsContact C-N 3.29Å; E316-S318 PolarHBondContact O-N 2.86Å; S318-I320 VanDerWaalsContact C-N 3.34Å; S318-I320 PolarHBondContact O-N 3.48Å; S318-K321 PolarHBondContact O-N 3.31Å; S318-E322 VanDerWaalsContact O-CB 3.3Å; S318-E322 WeakPolarHBondContact O-CB 3.44Å; S318-E322 VanDerWaalsContact O-CG 3.31Å; S318-E322 WeakPolarHBondContact O-CG 3.28Å; S318-E322 PolarHBondContact O-N 2.92Å |
| 319 | T | 92.4 | Very high | 89.1 | Confident | 8 Ų | 8 | 51.6 Ų | 51.6 | 5% | 0.049 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.6 | -35.3 | -178.3 | -62.7 | 0 | 0 | 0 | 0 | 112.5 | E162 P257 Q259 I262 P317 D323 M324 | E162-T319 WeakPolarHBondContact OE1-CB 3.49Å; E162-T319 PolarHBondContact OE1-OG1 3.12Å; P257-T319 HydrophobicContact CB-CG2 4.18Å; Q259-T319 HydrophobicContact CB-CG2 4.26Å; Q259-T319 WeakPolarHBondContact CB-OG1 3.44Å; Q259-T319 VanDerWaalsContact CG-OG1 3.26Å; Q259-T319 WeakPolarHBondContact CG-OG1 3.29Å; I262-T319 HydrophobicContact CD1-CG2 4.18Å; I262-T319 HydrophobicContact CG1-CG2 4.11Å; I262-T319 HydrophobicContact CG2-CG2 4.5Å; P317-T319 VanDerWaalsContact C-N 3.28Å; P317-T319 PolarHBondContact O-N 3.2Å; P317-T319 VanDerWaalsContact O-N 3.13Å; T319-D323 HydrophobicContact CG2-CB 4.32Å; T319-D323 WeakPolarHBondContact O-CB 3.44Å; T319-D323 PolarHBondContact O-N 3.17Å; T319-M324 HydrophobicContact CG2-CE 4.47Å |
| 320 | I | 91.5 | Very high | 89 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71 | -44.4 | 179.6 | -59.3 | 175.5 | 0 | 0 | 0 | 109.7 | I248 I262 V263 V264 P317 S318 E322 M324 F326 W328 | I248-I320 HydrophobicContact CD1-CD1 3.72Å; I248-I320 HydrophobicContact CG1-CD1 4.43Å; I262-I320 HydrophobicContact CG2-CD1 4.21Å; I262-I320 HydrophobicContact CG2-CG1 3.88Å; V263-I320 WeakPolarHBondContact O-CD1 3.19Å; V264-I320 HydrophobicContact CB-CD1 4.36Å; V264-I320 HydrophobicContact CG1-CD1 4.49Å; V264-I320 HydrophobicContact CG2-CD1 4.14Å; P317-I320 HydrophobicContact CB-CD1 4.3Å; P317-I320 PolarHBondContact O-N 2.83Å; P317-I320 VanDerWaalsContact O-N 3.07Å; S318-I320 VanDerWaalsContact C-N 3.34Å; S318-I320 PolarHBondContact O-N 3.48Å; I320-E322 PolarHBondContact O-N 3.47Å; I320-M324 HydrophobicContact CG1-SD 4.24Å; I320-M324 HydrophobicContact CG2-CB 4.49Å; I320-M324 HydrophobicContact CG2-SD 4.49Å; I320-M324 WeakPolarHBondContact O-CB 3.49Å; I320-M324 PolarHBondContact O-N 3.04Å; I320-F326 HydrophobicContact CG2-CE1 3.97Å; I320-F326 HydrophobicContact CG2-CZ 3.98Å; I320-W328 HydrophobicContact CG2-CH2 4.1Å; I320-W328 HydrophobicContact CG2-CZ2 3.71Å |
| 321 | K | 87.8 | Confident | 89 | Confident | 94 Ų | 94 | 53.2 Ų | 53.2 | 41% | 0.409 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -69.4 | -30.8 | -179.2 | -65.8 | -173.7 | 177 | -176.9 | 0 | 114 | D267 E316 P317 S318 | D267-K321 WeakPolarHBondContact OD1-CE 3.41Å; D267-K321 IonicContact OD1-NZ 2.81Å; D267-K321 PolarHBondContact OD1-NZ 3.45Å; D267-K321 IonicContact OD2-NZ 2.72Å; E316-K321 VanDerWaalsContact OE1-CD 3.26Å; E316-K321 WeakPolarHBondContact OE1-CD 3.5Å; E316-K321 WeakPolarHBondContact OE1-CE 3.42Å; E316-K321 IonicContact OE1-NZ 3.59Å; E316-K321 PolarHBondContact OE1-NZ 3.22Å; E316-K321 IonicContact OE2-NZ 3.37Å; P317-K321 PolarHBondContact O-N 3.3Å; S318-K321 PolarHBondContact O-N 3.31Å |
| 322 | E | 86.7 | Confident | 89 | Confident | 156 Ų | 156 | 54.9 Ų | 54.9 | 73% | 0.729 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -94.1 | -43.8 | -177.1 | -67.3 | 174 | -156.4 | 0 | 0 | 113.6 | S318 I320 | S318-E322 VanDerWaalsContact O-CB 3.3Å; S318-E322 WeakPolarHBondContact O-CB 3.44Å; S318-E322 VanDerWaalsContact O-CG 3.31Å; S318-E322 WeakPolarHBondContact O-CG 3.28Å; S318-E322 PolarHBondContact O-N 2.92Å; I320-E322 PolarHBondContact O-N 3.47Å |
| 323 | D | 84.2 | Confident | 88.9 | Confident | 82 Ų | 82 | 50.1 Ų | 50.1 | 44% | 0.439 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -103.5 | -9.2 | -169.9 | -76.6 | -16.3 | 0 | 0 | 0 | 113.8 | T319 | T319-D323 HydrophobicContact CG2-CB 4.32Å; T319-D323 WeakPolarHBondContact O-CB 3.44Å; T319-D323 PolarHBondContact O-N 3.17Å |
| 324 | M | 86.7 | Confident | 89 | Confident | 22 Ų | 22 | 50 Ų | 50 | 11% | 0.108 | 24% | 0.243 | C | C | . | . | trans | -123.1 | 140.3 | -173 | -56.1 | -173.1 | -178.9 | 0 | 0 | 113.8 | I248 C251 I252 P257 I262 T319 I320 F326 | I248-M324 HydrophobicContact CG1-SD 4.48Å; I248-M324 HydrophobicContact CG2-CE 4.34Å; I248-M324 HydrophobicContact CG2-SD 4.03Å; C251-M324 HydrophobicContact CB-SD 4.24Å; I252-M324 HydrophobicContact CD1-CE 4.17Å; I252-M324 HydrophobicContact CG1-CE 3.7Å; P257-M324 HydrophobicContact CG-CE 3.87Å; I262-M324 HydrophobicContact CD1-CE 4.05Å; T319-M324 HydrophobicContact CG2-CE 4.47Å; I320-M324 HydrophobicContact CG1-SD 4.24Å; I320-M324 HydrophobicContact CG2-CB 4.49Å; I320-M324 HydrophobicContact CG2-SD 4.49Å; I320-M324 WeakPolarHBondContact O-CB 3.49Å; I320-M324 PolarHBondContact O-N 3.04Å; M324-F326 HydrophobicContact CB-CD1 4.11Å; M324-F326 HydrophobicContact CB-CE1 3.91Å; M324-F326 HydrophobicContact SD-CE1 4.37Å | ||
| 325 | Q | 81.1 | Confident | 89 | Confident | 167 Ų | 167 | 46.6 Ų | 46.6 | 78% | 0.78 | 23% | 0.234 | S | C | * | . | trans | -131.6 | 112.8 | 174.9 | -68 | 179.4 | -5.1 | 0 | 0 | 109.2 | ||||
| 326 | F | 83.3 | Confident | 89.1 | Confident | 19 Ų | 19 | 50.7 Ų | 50.7 | 8% | 0.083 | 26% | 0.26 | C | S | . | . | trans | -152.9 | 151.1 | 173.8 | 56.1 | -88.5 | 0 | 0 | 0 | 108.6 | I38 R247 I248 I320 M324 W328 | I38-F326 HydrophobicContact CD1-CB 3.67Å; R247-F326 HydrophobicContact CB-CD2 3.87Å; R247-F326 HydrophobicContact CB-CE2 4.31Å; R247-F326 HydrophobicContact CB-CG 4.27Å; I248-F326 HydrophobicContact CD1-CZ 3.93Å; I248-F326 HydrophobicContact CG1-CE1 3.66Å; I248-F326 HydrophobicContact CG1-CE2 4.19Å; I248-F326 HydrophobicContact CG1-CZ 3.37Å; I320-F326 HydrophobicContact CG2-CE1 3.97Å; I320-F326 HydrophobicContact CG2-CZ 3.98Å; M324-F326 HydrophobicContact CB-CD1 4.11Å; M324-F326 HydrophobicContact CB-CE1 3.91Å; M324-F326 HydrophobicContact SD-CE1 4.37Å; F326-W328 AromaticContact CE2-CD2 3.77Å; F326-W328 HydrophobicContact CE2-CD2 3.77Å; F326-W328 AromaticContact CE2-CE2 3.74Å; F326-W328 HydrophobicContact CE2-CE3 4.09Å; F326-W328 HydrophobicContact CE2-CG 4.22Å; F326-W328 HydrophobicContact CE2-CH2 4.38Å; F326-W328 HydrophobicContact CE2-CZ2 4.07Å; F326-W328 HydrophobicContact CE2-CZ3 4.38Å; F326-W328 HydrophobicContact CZ-CD2 4.27Å; F326-W328 AromaticContact CZ-CE2 3.8Å; F326-W328 HydrophobicContact CZ-CH2 4.04Å; F326-W328 AromaticContact CZ-CZ2 3.69Å; F326-W328 HydrophobicContact CZ-CZ2 3.69Å; F326-W328 HydrophobicContact CZ-CZ3 4.45Å; F326-W328 PolarHBondContact O-N 3.14Å | ||
| 327 | P | 84.7 | Confident | 89.1 | Confident | 65 Ų | 65 | 48.7 Ų | 48.7 | 42% | 0.422 | 25% | 0.251 | S | S | . | . | trans | -63.9 | 132.6 | 169 | 27.6 | -33.4 | 0 | 0 | 0 | 108.9 | I38 R247 | I38-P327 HydrophobicContact CG2-CG 3.86Å; R247-P327 WeakPolarHBondContact CD-O 3.22Å; R247-P327 PolarHBondContact NH1-O 2.94Å | ||
| 328 | W | 88 | Confident | 89.1 | Confident | 81 Ų | 81 | 49.4 Ų | 49.4 | 31% | 0.307 | 26% | 0.255 | S | S | . | . | trans | -81 | 150.9 | 170.9 | -70.2 | 85.3 | 0 | 0 | 0 | 110.5 | D244 I320 F326 D331 | D244-W328 HydrophobicContact CB-CE3 3.94Å; D244-W328 HydrophobicContact CB-CZ3 4.09Å; I320-W328 HydrophobicContact CG2-CH2 4.1Å; I320-W328 HydrophobicContact CG2-CZ2 3.71Å; F326-W328 AromaticContact CE2-CD2 3.77Å; F326-W328 HydrophobicContact CE2-CD2 3.77Å; F326-W328 AromaticContact CE2-CE2 3.74Å; F326-W328 HydrophobicContact CE2-CE3 4.09Å; F326-W328 HydrophobicContact CE2-CG 4.22Å; F326-W328 HydrophobicContact CE2-CH2 4.38Å; F326-W328 HydrophobicContact CE2-CZ2 4.07Å; F326-W328 HydrophobicContact CE2-CZ3 4.38Å; F326-W328 HydrophobicContact CZ-CD2 4.27Å; F326-W328 AromaticContact CZ-CE2 3.8Å; F326-W328 HydrophobicContact CZ-CH2 4.04Å; F326-W328 AromaticContact CZ-CZ2 3.69Å; F326-W328 HydrophobicContact CZ-CZ2 3.69Å; F326-W328 HydrophobicContact CZ-CZ3 4.45Å; F326-W328 PolarHBondContact O-N 3.14Å; W328-D331 HydrophobicContact CB-CB 3.73Å; W328-D331 HydrophobicContact CD2-CB 4.05Å; W328-D331 HydrophobicContact CE3-CB 4.41Å; W328-D331 HydrophobicContact CG-CB 3.76Å | ||
| 329 | I | 86.7 | Confident | 88.9 | Confident | 38 Ų | 38 | 52.2 Ų | 52.2 | 20% | 0.195 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -88 | -39.7 | 165.8 | -57.4 | -162.4 | 0 | 0 | 0 | 110.2 | L243 D244 | L243-I329 HydrophobicContact CB-CD1 3.62Å; L243-I329 HydrophobicContact CD1-CD1 3.71Å; L243-I329 HydrophobicContact CG-CD1 4.3Å; D244-I329 PolarHBondContact OD1-N 3.43Å; D244-I329 PolarHBondContact OD2-N 3.1Å |
| 330 | S | 88.1 | Confident | 88.8 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | -149.1 | 59.4 | -177.2 | -61.5 | 0 | 0 | 0 | 0 | 112.4 | Y206 D244 S332 G333 | Y206-S330 VanDerWaalsContact OH-CB 3.23Å; Y206-S330 WeakPolarHBondContact OH-CB 3.38Å; Y206-S330 PolarHBondContact OH-O 3.29Å; D244-S330 PolarHBondContact OD2-N 2.9Å; S330-S332 PolarHBondContact O-N 3.29Å; S330-G333 PolarHBondContact O-N 2.69Å | ||
| 331 | D | 90.4 | Very high | 88.8 | Confident | 77 Ų | 77 | 55 Ų | 55 | 41% | 0.412 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -35 | 173 | 61.3 | -14.7 | 0 | 0 | 0 | 113.4 | D267 G268 W328 G333 | D267-D331 WeakPolarHBondContact CA-O 3.18Å; D267-D331 PolarHBondContact N-O 2.8Å; G268-D331 PolarHBondContact N-O 2.91Å; W328-D331 HydrophobicContact CB-CB 3.73Å; W328-D331 HydrophobicContact CD2-CB 4.05Å; W328-D331 HydrophobicContact CE3-CB 4.41Å; W328-D331 HydrophobicContact CG-CB 3.76Å; D331-G333 VanDerWaalsContact C-N 3.28Å; D331-G333 PolarHBondContact O-N 2.99Å |
| 332 | S | 92.1 | Very high | 88.8 | Confident | 37 Ų | 37 | 50.9 Ų | 50.9 | 26% | 0.259 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 13.8 | -176.1 | 47.5 | 0 | 0 | 0 | 0 | 114 | F270 S330 T336 N337 | F270-S332 VanDerWaalsContact CE2-O 3.3Å; F270-S332 WeakPolarHBondContact CE2-O 3.46Å; S330-S332 PolarHBondContact O-N 3.29Å; S332-T336 WeakPolarHBondContact O-CB 3.34Å; S332-T336 PolarHBondContact O-OG1 2.87Å; S332-N337 PolarHBondContact OG-ND2 3.49Å |
| 333 | G | 91.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | 70.2 | -173.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | S330 D331 N337 | S330-G333 PolarHBondContact O-N 2.69Å; D331-G333 VanDerWaalsContact C-N 3.28Å; D331-G333 PolarHBondContact O-N 2.99Å; G333-N337 PolarHBondContact O-N 2.77Å; G333-N337 PolarHBondContact O-ND2 3.4Å |
| 334 | I | 93.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.4 | -51 | -171.7 | -63.8 | 171.3 | 0 | 0 | 0 | 113.9 | Y206 F213 T239 I275 T336 N337 I338 L341 | Y206-I334 HydrophobicContact CD1-CD1 3.81Å; Y206-I334 HydrophobicContact CD1-CG1 3.66Å; Y206-I334 HydrophobicContact CD2-CD1 4.39Å; Y206-I334 HydrophobicContact CD2-CG1 3.71Å; Y206-I334 HydrophobicContact CE1-CD1 4.41Å; Y206-I334 HydrophobicContact CE1-CG1 3.85Å; Y206-I334 HydrophobicContact CE2-CG1 3.92Å; Y206-I334 HydrophobicContact CG-CD1 3.79Å; Y206-I334 HydrophobicContact CG-CG1 3.57Å; F213-I334 HydrophobicContact CD2-CD1 4Å; F213-I334 HydrophobicContact CE1-CD1 4.48Å; F213-I334 HydrophobicContact CE2-CD1 3.42Å; F213-I334 VanDerWaalsContact CE2-CD1 3.42Å; F213-I334 HydrophobicContact CZ-CD1 3.69Å; T239-I334 HydrophobicContact CG2-CD1 3.85Å; I275-I334 HydrophobicContact CG2-CB 4.46Å; I275-I334 HydrophobicContact CG2-CD1 4.01Å; I275-I334 HydrophobicContact CG2-CG2 4.15Å; I334-T336 VanDerWaalsContact C-N 3.32Å; I334-T336 PolarHBondContact O-N 2.93Å; I334-N337 CarbonylContact O-C 3.59Å; I334-N337 PolarHBondContact O-N 2.69Å; I334-I338 HydrophobicContact CG2-CD1 4.17Å; I334-I338 WeakPolarHBondContact O-CA 3.46Å; I334-I338 PolarHBondContact O-N 3.47Å; I334-L341 HydrophobicContact CB-CD1 4.24Å; I334-L341 HydrophobicContact CG1-CD1 4.18Å; I334-L341 HydrophobicContact CG2-CD1 3.88Å |
| 335 | P | 93.3 | Very high | 88.9 | Confident | 31 Ų | 31 | 43.9 Ų | 43.9 | 20% | 0.201 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.5 | -36.1 | -172.9 | -27.7 | 39.5 | 0 | 0 | 0 | 114 | F270 I275 A278 I338 | F270-P335 HydrophobicContact CB-CG 4.14Å; F270-P335 HydrophobicContact CD1-CB 4.29Å; F270-P335 HydrophobicContact CD1-CG 3.72Å; F270-P335 HydrophobicContact CD2-CG 3.96Å; F270-P335 HydrophobicContact CE1-CB 4.16Å; F270-P335 HydrophobicContact CE1-CG 4.05Å; F270-P335 HydrophobicContact CE2-CG 4.29Å; F270-P335 HydrophobicContact CG-CG 3.64Å; F270-P335 HydrophobicContact CZ-CB 4.38Å; F270-P335 HydrophobicContact CZ-CG 4.32Å; I275-P335 HydrophobicContact CG1-CG 4.32Å; A278-P335 HydrophobicContact CB-CB 3.88Å; A278-P335 HydrophobicContact CB-CG 4.19Å; P335-I338 WeakPolarHBondContact O-CG2 3.27Å |
| 336 | T | 93.1 | Very high | 88.8 | Confident | 89 Ų | 89 | 37.8 Ų | 37.8 | 55% | 0.546 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -69.1 | -38.8 | 177.7 | -40.8 | 0 | 0 | 0 | 0 | 111.8 | S332 I334 | S332-T336 WeakPolarHBondContact O-CB 3.34Å; S332-T336 PolarHBondContact O-OG1 2.87Å; I334-T336 VanDerWaalsContact C-N 3.32Å; I334-T336 PolarHBondContact O-N 2.93Å |
| 337 | N | 91.8 | Very high | 88.7 | Confident | 28 Ų | 28 | 41.3 Ų | 41.3 | 15% | 0.15 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -99.6 | 10.7 | -173.2 | -60.9 | -65.3 | 0 | 0 | 0 | 113.4 | S332 G333 I334 S339 Q340 L341 | S332-N337 PolarHBondContact OG-ND2 3.49Å; G333-N337 PolarHBondContact O-N 2.77Å; G333-N337 PolarHBondContact O-ND2 3.4Å; I334-N337 CarbonylContact O-C 3.59Å; I334-N337 PolarHBondContact O-N 2.69Å; N337-S339 VanDerWaalsContact C-N 3.26Å; N337-S339 PolarHBondContact O-N 3.37Å; N337-S339 VanDerWaalsContact O-N 3.11Å; N337-Q340 WeakPolarHBondContact O-CB 3.32Å; N337-Q340 PolarHBondContact O-N 3.45Å; N337-L341 PolarHBondContact O-N 2.99Å |
| 338 | I | 91.9 | Very high | 88.5 | Confident | 18 Ų | 18 | 39.7 Ų | 39.7 | 9% | 0.092 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.3 | -35.3 | -169.8 | -168.5 | 60.7 | 0 | 0 | 0 | 113.9 | F217 A278 I279 I334 P335 Q340 L341 I342 | F217-I338 HydrophobicContact CZ-CD1 4.1Å; A278-I338 HydrophobicContact CB-CG1 4.37Å; I279-I338 HydrophobicContact CG1-CD1 4Å; I334-I338 HydrophobicContact CG2-CD1 4.17Å; I334-I338 WeakPolarHBondContact O-CA 3.46Å; I334-I338 PolarHBondContact O-N 3.47Å; P335-I338 WeakPolarHBondContact O-CG2 3.27Å; I338-Q340 VanDerWaalsContact C-N 3.35Å; I338-Q340 PolarHBondContact O-N 3.22Å; I338-L341 PolarHBondContact O-N 2.92Å; I338-I342 HydrophobicContact CD1-CD1 4.42Å; I338-I342 HydrophobicContact CD1-CG1 4.44Å; I338-I342 HydrophobicContact CG1-CD1 3.93Å; I338-I342 HydrophobicContact CG1-CG1 4.4Å; I338-I342 WeakPolarHBondContact O-CB 3.25Å; I338-I342 WeakPolarHBondContact O-CG1 3.28Å; I338-I342 PolarHBondContact O-N 3.42Å |
| 339 | S | 88.6 | Confident | 88 | Confident | 80 Ų | 80 | 36.7 Ų | 36.7 | 56% | 0.559 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -65.2 | -35.9 | 177.1 | -62.2 | 0 | 0 | 0 | 0 | 113 | N337 N343 | N337-S339 VanDerWaalsContact C-N 3.26Å; N337-S339 PolarHBondContact O-N 3.37Å; N337-S339 VanDerWaalsContact O-N 3.11Å; S339-N343 PolarHBondContact O-N 3.21Å; S339-N343 PolarHBondContact O-ND2 2.76Å |
| 340 | Q | 89.7 | Confident | 87.4 | Confident | 70 Ų | 70 | 40.1 Ų | 40.1 | 33% | 0.327 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -69.1 | -48 | 174.8 | -179.5 | -172.7 | -36.2 | 0 | 0 | 110.2 | N337 I338 I342 N343 E344 | N337-Q340 WeakPolarHBondContact O-CB 3.32Å; N337-Q340 PolarHBondContact O-N 3.45Å; I338-Q340 VanDerWaalsContact C-N 3.35Å; I338-Q340 PolarHBondContact O-N 3.22Å; Q340-I342 VanDerWaalsContact C-N 3.27Å; Q340-I342 PolarHBondContact O-N 2.85Å; Q340-N343 WeakPolarHBondContact O-CA 3.41Å; Q340-N343 WeakPolarHBondContact O-CB 3.33Å; Q340-N343 PolarHBondContact O-N 3.46Å; Q340-E344 PolarHBondContact NE2-OE1 2.81Å; Q340-E344 PolarHBondContact O-N 3.04Å |
| 341 | L | 91.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.5 | -38.9 | -179.7 | -59.1 | 176.6 | 0 | 0 | 0 | 112 | Y206 F217 I334 N337 I338 N343 E344 F345 | Y206-L341 HydrophobicContact CD2-CD1 3.56Å; Y206-L341 HydrophobicContact CD2-CD2 3.58Å; Y206-L341 HydrophobicContact CD2-CG 4.22Å; Y206-L341 HydrophobicContact CE2-CD1 3.88Å; Y206-L341 HydrophobicContact CE2-CD2 3.91Å; Y206-L341 HydrophobicContact CE2-CG 4.48Å; F217-L341 HydrophobicContact CZ-CB 4.47Å; I334-L341 HydrophobicContact CB-CD1 4.24Å; I334-L341 HydrophobicContact CG1-CD1 4.18Å; I334-L341 HydrophobicContact CG2-CD1 3.88Å; N337-L341 PolarHBondContact O-N 2.99Å; I338-L341 PolarHBondContact O-N 2.92Å; L341-N343 VanDerWaalsContact C-N 3.34Å; L341-N343 PolarHBondContact O-N 3.47Å; L341-E344 PolarHBondContact O-N 2.96Å; L341-F345 WeakPolarHBondContact O-CB 3.44Å; L341-F345 PolarHBondContact O-N 3.31Å |
| 342 | I | 87.8 | Confident | 86 | Confident | 7 Ų | 7 | 45 Ų | 45 | 4% | 0.036 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.2 | -41.1 | 174.4 | -72.1 | 170.7 | 0 | 0 | 0 | 111.7 | F217 L283 I338 Q340 F345 I346 | F217-I342 HydrophobicContact CE1-CG1 4.39Å; L283-I342 HydrophobicContact CD2-CB 4.14Å; L283-I342 HydrophobicContact CD2-CD1 3.81Å; L283-I342 HydrophobicContact CD2-CG1 3.56Å; L283-I342 HydrophobicContact CD2-CG2 3.61Å; L283-I342 HydrophobicContact CG-CD1 3.79Å; L283-I342 HydrophobicContact CG-CG1 3.8Å; I338-I342 HydrophobicContact CD1-CD1 4.42Å; I338-I342 HydrophobicContact CD1-CG1 4.44Å; I338-I342 HydrophobicContact CG1-CD1 3.93Å; I338-I342 HydrophobicContact CG1-CG1 4.4Å; I338-I342 WeakPolarHBondContact O-CB 3.25Å; I338-I342 WeakPolarHBondContact O-CG1 3.28Å; I338-I342 PolarHBondContact O-N 3.42Å; Q340-I342 VanDerWaalsContact C-N 3.27Å; Q340-I342 PolarHBondContact O-N 2.85Å; I342-F345 WeakPolarHBondContact O-CB 3.44Å; I342-F345 PolarHBondContact O-N 3.13Å; I342-I346 HydrophobicContact CG2-CD1 3.7Å; I342-I346 HydrophobicContact CG2-CG1 4.46Å; I342-I346 WeakPolarHBondContact O-CB 3.38Å; I342-I346 WeakPolarHBondContact O-CD1 3.36Å; I342-I346 WeakPolarHBondContact O-CG1 2.93Å; I342-I346 PolarHBondContact O-N 3.3Å |
| 343 | N | 85.5 | Confident | 85.4 | Confident | 93 Ų | 93 | 44.5 Ų | 44.5 | 50% | 0.497 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.3 | -44 | 175.9 | -67.8 | -23.4 | 0 | 0 | 0 | 110.9 | S339 Q340 L341 F345 I346 E347 | S339-N343 PolarHBondContact O-N 3.21Å; S339-N343 PolarHBondContact O-ND2 2.76Å; Q340-N343 WeakPolarHBondContact O-CA 3.41Å; Q340-N343 WeakPolarHBondContact O-CB 3.33Å; Q340-N343 PolarHBondContact O-N 3.46Å; L341-N343 VanDerWaalsContact C-N 3.34Å; L341-N343 PolarHBondContact O-N 3.47Å; N343-F345 VanDerWaalsContact C-N 3.29Å; N343-F345 PolarHBondContact O-N 2.84Å; N343-I346 PolarHBondContact O-N 3.38Å; N343-E347 WeakPolarHBondContact O-CB 3.32Å; N343-E347 WeakPolarHBondContact O-CG 3.45Å; N343-E347 PolarHBondContact O-N 3.27Å |
| 344 | E | 87.8 | Confident | 85.1 | Confident | 21 Ų | 21 | 44.6 Ų | 44.6 | 10% | 0.098 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.1 | -38.6 | 174.3 | -68.5 | -178.8 | -155.5 | 0 | 0 | 112.4 | C208 H241 Q340 L341 E348 | C208-E344 PolarHBondContact N-OE2 3.28Å; H241-E344 IonicContact CE1-OE2 3.15Å; H241-E344 IonicContact NE2-OE1 2.7Å; H241-E344 IonicContact NE2-OE2 2.78Å; H241-E344 PolarHBondContact NE2-OE2 3.2Å; Q340-E344 PolarHBondContact NE2-OE1 2.81Å; Q340-E344 PolarHBondContact O-N 3.04Å; L341-E344 PolarHBondContact O-N 2.96Å; E344-E348 VanDerWaalsContact O-CB 3.28Å; E344-E348 WeakPolarHBondContact O-CB 3.36Å; E344-E348 PolarHBondContact O-N 3.09Å |
| 345 | F | 86 | Confident | 85 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.6 | -47.6 | 174 | -169.7 | -104.2 | 0 | 0 | 0 | 112.4 | E210 Q214 F217 L341 I342 N343 E347 H349 L351 L864 | E210-F345 HydrophobicContact CG-CD2 3.73Å; E210-F345 HydrophobicContact CG-CE2 4.16Å; E210-F345 WeakPolarHBondContact OE1-CB 3.25Å; Q214-F345 HydrophobicContact CG-CE2 4.45Å; F217-F345 HydrophobicContact CB-CD2 4.18Å; F217-F345 HydrophobicContact CB-CE1 4.23Å; F217-F345 HydrophobicContact CB-CE2 3.74Å; F217-F345 HydrophobicContact CB-CZ 3.77Å; F217-F345 HydrophobicContact CD1-CB 4.1Å; F217-F345 HydrophobicContact CD1-CD1 4.24Å; F217-F345 AromaticContact CD1-CD2 3.8Å; F217-F345 HydrophobicContact CD1-CD2 3.8Å; F217-F345 HydrophobicContact CD1-CE2 4.25Å; F217-F345 AromaticContact CD1-CG 3.79Å; F217-F345 HydrophobicContact CD1-CG 3.79Å; F217-F345 HydrophobicContact CE1-CB 4.37Å; F217-F345 HydrophobicContact CG-CD2 4.35Å; F217-F345 HydrophobicContact CG-CE2 4.38Å; L341-F345 WeakPolarHBondContact O-CB 3.44Å; L341-F345 PolarHBondContact O-N 3.31Å; I342-F345 WeakPolarHBondContact O-CB 3.44Å; I342-F345 PolarHBondContact O-N 3.13Å; N343-F345 VanDerWaalsContact C-N 3.29Å; N343-F345 PolarHBondContact O-N 2.84Å; F345-E347 VanDerWaalsContact C-N 3.31Å; F345-E347 PolarHBondContact O-N 2.92Å; F345-H349 AromaticContact CD2-CD2 3.47Å; F345-H349 VanDerWaalsContact CD2-CD2 3.47Å; F345-H349 WeakPolarHBondContact CD2-CD2 3.49Å; F345-H349 AromaticContact CD2-NE2 3.74Å; F345-H349 AromaticContact CE2-CD2 3.39Å; F345-H349 WeakPolarHBondContact CE2-CD2 3.43Å; F345-H349 AromaticContact CE2-NE2 3.49Å; F345-H349 WeakPolarHBondContact CE2-NE2 3.39Å; F345-H349 AromaticContact CG-CD2 3.95Å; F345-H349 AromaticContact CZ-CD2 3.8Å; F345-H349 WeakPolarHBondContact O-CB 3.25Å; F345-H349 PolarHBondContact O-CD2 3.29Å; F345-H349 VanDerWaalsContact O-CD2 3.26Å; F345-H349 PolarHBondContact O-N 3.1Å; F345-H349 VanDerWaalsContact O-N 3.08Å; F345-L351 HydrophobicContact CD1-CD1 3.74Å; F345-L351 HydrophobicContact CE1-CD1 3.63Å; F345-L864 HydrophobicContact CE1-CD1 4.28Å; F345-L864 HydrophobicContact CE1-CD2 4.16Å; F345-L864 HydrophobicContact CE2-CD2 4.34Å; F345-L864 HydrophobicContact CZ-CD1 3.98Å; F345-L864 HydrophobicContact CZ-CD2 3.65Å; F345-L864 HydrophobicContact CZ-CG 4.47Å |
| 346 | I | 79.4 | Confident | 85.1 | Confident | 38 Ų | 38 | 44.4 Ų | 44.4 | 20% | 0.195 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.2 | -41.5 | 179.4 | -73.6 | 167.7 | 0 | 0 | 0 | 110.6 | W221 I342 N343 Q350 L351 | W221-I346 HydrophobicContact CH2-CD1 4.03Å; W221-I346 HydrophobicContact CH2-CG1 3.73Å; W221-I346 HydrophobicContact CZ3-CD1 3.79Å; W221-I346 HydrophobicContact CZ3-CG1 3.55Å; I342-I346 HydrophobicContact CG2-CD1 3.7Å; I342-I346 HydrophobicContact CG2-CG1 4.46Å; I342-I346 WeakPolarHBondContact O-CB 3.38Å; I342-I346 WeakPolarHBondContact O-CD1 3.36Å; I342-I346 WeakPolarHBondContact O-CG1 2.93Å; I342-I346 PolarHBondContact O-N 3.3Å; N343-I346 PolarHBondContact O-N 3.38Å; I346-Q350 CarbonylContact O-C 3.55Å; I346-Q350 WeakPolarHBondContact O-CA 3.49Å; I346-Q350 PolarHBondContact O-N 3Å; I346-Q350 VanDerWaalsContact O-N 3.09Å; I346-L351 HydrophobicContact CG2-CB 4.42Å; I346-L351 WeakPolarHBondContact CG2-O 3.39Å; I346-L351 PolarHBondContact O-N 3.19Å |
| 347 | E | 81.8 | Confident | 85.2 | Confident | 94 Ų | 94 | 40.2 Ų | 40.2 | 44% | 0.439 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -74.1 | -46.5 | 179.9 | -67 | -172 | 168.1 | 0 | 0 | 112.3 | W52 N343 F345 H349 Q350 | W52-E347 HydrophobicContact CE3-CB 3.54Å; W52-E347 HydrophobicContact CZ3-CB 3.52Å; W52-E347 WeakPolarHBondContact CZ3-O 3.5Å; N343-E347 WeakPolarHBondContact O-CB 3.32Å; N343-E347 WeakPolarHBondContact O-CG 3.45Å; N343-E347 PolarHBondContact O-N 3.27Å; F345-E347 VanDerWaalsContact C-N 3.31Å; F345-E347 PolarHBondContact O-N 2.92Å; E347-H349 PolarHBondContact O-N 3.23Å; E347-Q350 PolarHBondContact O-N 3.02Å; E347-Q350 VanDerWaalsContact O-N 3.16Å |
| 348 | E | 80.5 | Confident | 85.4 | Confident | 30 Ų | 30 | 38.9 Ų | 38.9 | 14% | 0.14 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.9 | -46.8 | 177 | -177.1 | 75.6 | -126.4 | 0 | 0 | 111.9 | K23 W52 E344 Q350 | K23-E348 IonicContact NZ-OE1 3.92Å; K23-E348 PolarHBondContact NZ-OE1 3.46Å; K23-E348 IonicContact NZ-OE2 2.82Å; W52-E348 HydrophobicContact CH2-CB 4.08Å; W52-E348 HydrophobicContact CZ2-CB 4.03Å; W52-E348 HydrophobicContact CZ2-CG 4.4Å; W52-E348 WeakPolarHBondContact CZ2-OE2 3.41Å; E344-E348 VanDerWaalsContact O-CB 3.28Å; E344-E348 WeakPolarHBondContact O-CB 3.36Å; E344-E348 PolarHBondContact O-N 3.09Å; E348-Q350 VanDerWaalsContact C-N 3.3Å; E348-Q350 PolarHBondContact O-N 3.28Å |
| 349 | H | 77.5 | Confident | 85.5 | Confident | 18 Ų | 18 | 38.3 Ų | 38.3 | 8% | 0.083 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 9.1 | -179.1 | -59.1 | -68.4 | 0 | 0 | 0 | 113.5 | G209 F345 E347 L351 L864 | G209-H349 PolarHBondContact O-NE2 2.83Å; F345-H349 AromaticContact CD2-CD2 3.47Å; F345-H349 VanDerWaalsContact CD2-CD2 3.47Å; F345-H349 WeakPolarHBondContact CD2-CD2 3.49Å; F345-H349 AromaticContact CD2-NE2 3.74Å; F345-H349 AromaticContact CE2-CD2 3.39Å; F345-H349 WeakPolarHBondContact CE2-CD2 3.43Å; F345-H349 AromaticContact CE2-NE2 3.49Å; F345-H349 WeakPolarHBondContact CE2-NE2 3.39Å; F345-H349 AromaticContact CG-CD2 3.95Å; F345-H349 AromaticContact CZ-CD2 3.8Å; F345-H349 WeakPolarHBondContact O-CB 3.25Å; F345-H349 PolarHBondContact O-CD2 3.29Å; F345-H349 VanDerWaalsContact O-CD2 3.26Å; F345-H349 PolarHBondContact O-N 3.1Å; F345-H349 VanDerWaalsContact O-N 3.08Å; E347-H349 PolarHBondContact O-N 3.23Å; H349-L351 HydrophobicContact CB-CD1 4.06Å; H349-L351 HydrophobicContact CB-CD2 3.92Å; H349-L351 HydrophobicContact CB-CG 3.72Å; H349-L351 WeakPolarHBondContact O-CD2 3.34Å; H349-L351 PolarHBondContact O-N 3.1Å; H349-L351 VanDerWaalsContact O-N 3.14Å; H349-L864 HydrophobicContact CB-CD2 3.53Å; H349-L864 WeakPolarHBondContact ND1-CD2 3.5Å |
| 350 | Q | 73.9 | Confident | 85.7 | Confident | 110 Ų | 110 | 34.7 Ų | 34.7 | 51% | 0.514 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 35.4 | 177.7 | -55.3 | -176 | 15.6 | 0 | 0 | 114.2 | I346 E347 E348 K352 | I346-Q350 CarbonylContact O-C 3.55Å; I346-Q350 WeakPolarHBondContact O-CA 3.49Å; I346-Q350 PolarHBondContact O-N 3Å; I346-Q350 VanDerWaalsContact O-N 3.09Å; E347-Q350 PolarHBondContact O-N 3.02Å; E347-Q350 VanDerWaalsContact O-N 3.16Å; E348-Q350 VanDerWaalsContact C-N 3.3Å; E348-Q350 PolarHBondContact O-N 3.28Å; Q350-K352 PolarHBondContact O-N 3.07Å; Q350-K352 VanDerWaalsContact O-N 3.09Å |
| 351 | L | 73.5 | Confident | 85.9 | Confident | 21 Ų | 21 | 31.3 Ų | 31.3 | 11% | 0.11 | 15% | 0.151 | C | C | . | . | trans | -74.8 | 100 | -171.2 | -56.4 | 177.1 | 0 | 0 | 0 | 110.7 | W221 F345 I346 H349 | W221-L351 HydrophobicContact CD2-CD1 3.94Å; W221-L351 HydrophobicContact CE3-CD1 4.19Å; W221-L351 HydrophobicContact CH2-CB 4.02Å; W221-L351 HydrophobicContact CH2-CD1 4.18Å; W221-L351 HydrophobicContact CZ2-CB 3.69Å; W221-L351 HydrophobicContact CZ2-CD1 3.9Å; W221-L351 HydrophobicContact CZ2-CG 4.33Å; W221-L351 HydrophobicContact CZ3-CD1 4.31Å; F345-L351 HydrophobicContact CD1-CD1 3.74Å; F345-L351 HydrophobicContact CE1-CD1 3.63Å; I346-L351 HydrophobicContact CG2-CB 4.42Å; I346-L351 WeakPolarHBondContact CG2-O 3.39Å; I346-L351 PolarHBondContact O-N 3.19Å; H349-L351 HydrophobicContact CB-CD1 4.06Å; H349-L351 HydrophobicContact CB-CD2 3.92Å; H349-L351 HydrophobicContact CB-CG 3.72Å; H349-L351 WeakPolarHBondContact O-CD2 3.34Å; H349-L351 PolarHBondContact O-N 3.1Å; H349-L351 VanDerWaalsContact O-N 3.14Å | ||
| 352 | K | 75.4 | Confident | 85.8 | Confident | 159 Ų | 159 | 32.6 Ų | 32.6 | 69% | 0.691 | 16% | 0.159 | S | C | * | . | trans | -99.1 | 119.3 | 174.2 | -65.7 | 179.7 | -178 | 177.1 | 0 | 109.9 | Q350 L354 R859 | Q350-K352 PolarHBondContact O-N 3.07Å; Q350-K352 VanDerWaalsContact O-N 3.09Å; K352-L354 PolarHBondContact O-N 2.95Å; K352-R859 PolarHBondContact O-NH1 2.85Å; K352-R859 PolarHBondContact O-NH2 3.09Å | ||
| 353 | P | 79.9 | Confident | 85.8 | Confident | 26 Ų | 26 | 34.1 Ų | 34.1 | 17% | 0.169 | 17% | 0.169 | C | C | . | . | trans | -56.3 | 141.1 | 173.9 | 23.2 | -34.6 | 0 | 0 | 0 | 110.6 | Q569 N570 N615 | P353-Q569 WeakPolarHBondContact CB-O 3.33Å; P353-Q569 WeakPolarHBondContact CG-O 3.44Å; P353-N570 WeakPolarHBondContact CB-O 3.35Å; P353-N615 PolarHBondContact O-OD1 3.15Å | ||
| 354 | L | 85.9 | Confident | 86.1 | Confident | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 113.8 | 173.1 | -174.7 | 52.8 | 0 | 0 | 0 | 109.5 | K352 L356 Y377 L379 Q571 G572 F573 Y616 I856 | K352-L354 PolarHBondContact O-N 2.95Å; L354-L356 HydrophobicContact CD1-CD2 3.85Å; L354-L356 HydrophobicContact CD1-CG 4.46Å; L354-L356 HydrophobicContact CD2-CD1 4.41Å; L354-L356 HydrophobicContact CD2-CD2 4.41Å; L354-L356 HydrophobicContact CG-CD1 4.46Å; L354-L356 HydrophobicContact CG-CD2 3.97Å; L354-L356 HydrophobicContact CG-CG 4.05Å; L354-Y377 HydrophobicContact CD2-CD1 4.04Å; L354-Y377 HydrophobicContact CD2-CG 4.14Å; L354-L379 HydrophobicContact CB-CD1 4.04Å; L354-L379 HydrophobicContact CB-CD2 3.85Å; L354-L379 HydrophobicContact CD2-CD1 3.97Å; L354-L379 HydrophobicContact CG-CD1 3.97Å; L354-Q571 PolarHBondContact N-O 3.01Å; L354-G572 CarbonylContact O-C 3.58Å; L354-G572 VanDerWaalsContact O-CA 3.32Å; L354-G572 WeakPolarHBondContact O-CA 3.44Å; L354-F573 PolarHBondContact O-N 3.17Å; L354-Y616 HydrophobicContact CD1-CD2 3.87Å; L354-Y616 HydrophobicContact CD1-CE2 3.85Å; L354-I856 HydrophobicContact CD1-CG2 4.43Å; L354-I856 HydrophobicContact CD2-CG2 3.61Å |
| 355 | R | 91.7 | Very high | 86.1 | Confident | 29 Ų | 29 | 29.5 Ų | 29.5 | 11% | 0.109 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 115.6 | 179.4 | -62.1 | 175.6 | -110.9 | 153.5 | -23.1 | 109.4 | F573 R610 L611 T613 P614 N615 Y616 | R355-F573 WeakPolarHBondContact CA-O 3.43Å; R355-F573 HydrophobicContact CB-CE1 4.34Å; R355-F573 HydrophobicContact CB-CE2 4.35Å; R355-F573 HydrophobicContact CB-CZ 4.12Å; R355-F573 HydrophobicContact CG-CD1 4.04Å; R355-F573 HydrophobicContact CG-CE1 3.63Å; R355-F573 HydrophobicContact CG-CE2 4.49Å; R355-F573 HydrophobicContact CG-CZ 3.88Å; R355-R610 VanDerWaalsContact CZ-O 3.32Å; R355-R610 PolarHBondContact NH1-O 3.01Å; R355-R610 PolarHBondContact NH2-O 3.38Å; R355-L611 VanDerWaalsContact CD-O 3.23Å; R355-L611 WeakPolarHBondContact CD-O 3.47Å; R355-L611 PolarHBondContact NE-O 2.89Å; R355-L611 PolarHBondContact NH1-O 3.49Å; R355-T613 PolarHBondContact NH1-O 3.36Å; R355-P614 CarbonylContact O-C 3.56Å; R355-N615 PolarHBondContact N-OD1 2.64Å; R355-N615 PolarHBondContact O-N 3.34Å; R355-Y616 PolarHBondContact O-N 3.33Å |
| 356 | L | 93.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 145.1 | -179.9 | -54.6 | 179.4 | 0 | 0 | 0 | 109.8 | L354 L373 L379 F573 I574 L575 Y616 I856 | L354-L356 HydrophobicContact CD1-CD2 3.85Å; L354-L356 HydrophobicContact CD1-CG 4.46Å; L354-L356 HydrophobicContact CD2-CD1 4.41Å; L354-L356 HydrophobicContact CD2-CD2 4.41Å; L354-L356 HydrophobicContact CG-CD1 4.46Å; L354-L356 HydrophobicContact CG-CD2 3.97Å; L354-L356 HydrophobicContact CG-CG 4.05Å; L356-L373 HydrophobicContact CD1-CD1 4.44Å; L356-L379 HydrophobicContact CD1-CD1 3.94Å; L356-L379 HydrophobicContact CG-CD1 4.28Å; L356-F573 PolarHBondContact N-O 3.3Å; L356-I574 HydrophobicContact CB-CB 4.44Å; L356-I574 HydrophobicContact CB-CG1 4.15Å; L356-I574 HydrophobicContact CB-CG2 4.23Å; L356-I574 HydrophobicContact CD1-CD1 3.85Å; L356-I574 HydrophobicContact CD1-CG1 4.02Å; L356-I574 HydrophobicContact CG-CG1 4.43Å; L356-I574 CarbonylContact O-C 3.56Å; L356-I574 WeakPolarHBondContact O-CA 3.37Å; L356-L575 PolarHBondContact O-N 3.03Å; L356-Y616 WeakPolarHBondContact CA-O 3.23Å; L356-Y616 HydrophobicContact CD2-CD2 3.77Å; L356-Y616 HydrophobicContact CD2-CG 4.2Å; L356-I856 HydrophobicContact CD1-CD1 3.71Å; L356-I856 HydrophobicContact CD2-CD1 3.8Å; L356-I856 HydrophobicContact CD2-CG1 4.34Å; L356-I856 HydrophobicContact CG-CD1 4.46Å |
| 357 | C | 95.4 | Very high | 86.9 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 124 | 169.5 | -177.1 | 0 | 0 | 0 | 0 | 108.9 | F578 P614 Y616 V617 I618 | C357-F578 PolarHBondContact SG-O 3.46Å; C357-P614 HydrophobicContact CB-CB 3.94Å; C357-P614 HydrophobicContact CB-CG 3.89Å; C357-Y616 PolarHBondContact N-O 2.92Å; C357-V617 HydrophobicContact CB-CG2 4.28Å; C357-V617 CarbonylContact O-C 3.49Å; C357-V617 WeakPolarHBondContact O-CA 3.4Å; C357-I618 PolarHBondContact O-N 2.87Å |
| 358 | I | 95.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 116.1 | -179.1 | -54 | -176.8 | 0 | 0 | 0 | 109.2 | K366 L369 A370 L373 I574 L575 G577 I618 L620 | I358-K366 HydrophobicContact CG2-CB 3.8Å; I358-K366 HydrophobicContact CG2-CD 4.34Å; I358-K366 HydrophobicContact CG2-CG 3.91Å; I358-L369 HydrophobicContact CD1-CD2 4.28Å; I358-L369 HydrophobicContact CD1-CG 4.24Å; I358-L369 HydrophobicContact CG2-CD2 4.44Å; I358-A370 HydrophobicContact CD1-CB 4.02Å; I358-L373 HydrophobicContact CD1-CD1 3.9Å; I358-I574 HydrophobicContact CD1-CG2 3.51Å; I358-I574 HydrophobicContact CG1-CG2 3.73Å; I358-L575 PolarHBondContact N-O 3.13Å; I358-G577 PolarHBondContact O-N 3.4Å; I358-I618 WeakPolarHBondContact CA-O 3.47Å; I358-I618 HydrophobicContact CD1-CD1 4.47Å; I358-I618 HydrophobicContact CG1-CB 4.38Å; I358-I618 HydrophobicContact CG1-CD1 4.21Å; I358-L620 HydrophobicContact CG2-CD1 4.43Å |
| 359 | L | 94.9 | Very high | 87.9 | Confident | 6 Ų | 6 | 28 Ų | 28 | 3% | 0.031 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 165 | -175.9 | -60.8 | -178.5 | 0 | 0 | 0 | 110.9 | P579 V617 I618 Y619 L620 V815 L816 F819 | L359-P579 VanDerWaalsContact CD2-O 3.24Å; L359-P579 WeakPolarHBondContact CD2-O 3.48Å; L359-V617 HydrophobicContact CD1-CG1 4.04Å; L359-V617 HydrophobicContact CG-CG1 4.5Å; L359-I618 PolarHBondContact N-O 3.2Å; L359-Y619 HydrophobicContact CB-CD2 3.83Å; L359-Y619 HydrophobicContact CB-CE2 4.42Å; L359-L620 PolarHBondContact O-N 2.96Å; L359-V815 HydrophobicContact CD1-CG1 4.04Å; L359-V815 HydrophobicContact CD1-CG2 4.35Å; L359-L816 HydrophobicContact CD1-CD2 4.18Å; L359-F819 HydrophobicContact CD1-CE2 4.02Å |
| 360 | G | 93 | Very high | 88.5 | Confident | 3 Ų | 3 | 27.1 Ų | 27.1 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | trans | 136.1 | 168.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | K366 L620 Y691 | G360-K366 WeakPolarHBondContact O-CE 3.41Å; G360-K366 PolarHBondContact O-NZ 3.38Å; G360-L620 WeakPolarHBondContact CA-O 3.43Å; G360-Y691 VanDerWaalsContact C-CE2 3.5Å; G360-Y691 VanDerWaalsContact C-OH 3.24Å; G360-Y691 WeakPolarHBondContact CA-OH 3.24Å; G360-Y691 PolarHBondContact N-OH 3.34Å; G360-Y691 VanDerWaalsContact O-CE2 3.3Å; G360-Y691 WeakPolarHBondContact O-CE2 3.34Å | ||
| 361 | P | 93.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -69 | 168.1 | -175.3 | 24.3 | -29.1 | 0 | 0 | 0 | 113.9 | I364 K366 L620 L627 L688 Y691 | P361-I364 HydrophobicContact CG-CB 4.16Å; P361-I364 HydrophobicContact CG-CG1 4.42Å; P361-I364 WeakPolarHBondContact O-CG2 3.37Å; P361-K366 PolarHBondContact O-NZ 2.83Å; P361-L620 WeakPolarHBondContact CD-O 3.41Å; P361-L627 HydrophobicContact CB-CD1 3.63Å; P361-L627 HydrophobicContact CG-CD1 3.7Å; P361-L627 HydrophobicContact CG-CD2 4.21Å; P361-L688 HydrophobicContact CB-CD1 4.06Å; P361-Y691 HydrophobicContact CB-CD1 3.67Å; P361-Y691 HydrophobicContact CB-CE1 3.62Å; P361-Y691 HydrophobicContact CB-CG 4.37Å; P361-Y691 HydrophobicContact CG-CE1 4.21Å | ||
| 362 | P | 90.3 | Very high | 89.9 | Confident | 27 Ų | 27 | 24 Ų | 24 | 18% | 0.175 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 150.9 | 172.6 | 26.1 | -35 | 0 | 0 | 0 | 111.9 | I364 L627 F684 R687 L688 | P362-I364 PolarHBondContact O-N 2.97Å; P362-L627 VanDerWaalsContact O-CD2 3.32Å; P362-L627 WeakPolarHBondContact O-CD2 3.34Å; P362-F684 HydrophobicContact CB-CE2 4.45Å; P362-F684 HydrophobicContact CG-CE2 4.37Å; P362-R687 HydrophobicContact CG-CB 4.38Å; P362-L688 HydrophobicContact CG-CB 3.98Å; P362-L688 HydrophobicContact CG-CD1 4.16Å |
| 363 | C | 87.2 | Confident | 90.5 | Very high | 38 Ų | 38 | 16.4 Ų | 16.4 | 26% | 0.257 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 3.4 | -179.2 | -57.1 | 0 | 0 | 0 | 0 | 117.7 | G365 R630 F684 | C363-G365 VanDerWaalsContact C-N 3.3Å; C363-G365 PolarHBondContact O-N 3Å; C363-R630 VanDerWaalsContact O-CD 3.24Å; C363-R630 WeakPolarHBondContact O-CD 3.41Å; C363-F684 HydrophobicContact CB-CD2 4.48Å; C363-F684 HydrophobicContact CB-CE2 3.85Å; C363-F684 VanDerWaalsContact SG-CD2 3.58Å; C363-F684 VanDerWaalsContact SG-CE2 3.56Å |
| 364 | I | 91.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -67.9 | -24.5 | 178.3 | -164.5 | 57.5 | 0 | 0 | 0 | 114.2 | P361 P362 K366 L620 L626 L627 R630 M831 | P361-I364 HydrophobicContact CG-CB 4.16Å; P361-I364 HydrophobicContact CG-CG1 4.42Å; P361-I364 WeakPolarHBondContact O-CG2 3.37Å; P362-I364 PolarHBondContact O-N 2.97Å; I364-K366 HydrophobicContact CG2-CG 3.62Å; I364-L620 HydrophobicContact CG1-CB 3.75Å; I364-L620 HydrophobicContact CG2-CB 3.96Å; I364-L620 HydrophobicContact CG2-CD1 4.13Å; I364-L626 HydrophobicContact CD1-CD2 4.1Å; I364-L627 HydrophobicContact CB-CD2 3.78Å; I364-L627 HydrophobicContact CD1-CD2 3.67Å; I364-L627 HydrophobicContact CG1-CD2 4.28Å; I364-R630 PolarHBondContact O-NH1 3.46Å; I364-M831 HydrophobicContact CD1-CB 3.75Å; I364-M831 HydrophobicContact CD1-CG 3.72Å; I364-M831 HydrophobicContact CG1-CB 4.49Å; I364-M831 HydrophobicContact CG1-CG 3.91Å |
| 365 | G | 88.2 | Confident | 90.6 | Very high | 17 Ų | 17 | 19.8 Ų | 19.8 | 18% | 0.175 | 11% | 0.108 | C | C | . | . | S | Bend | trans | 112 | 14.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116 | C363 T367 T368 L369 | C363-G365 VanDerWaalsContact C-N 3.3Å; C363-G365 PolarHBondContact O-N 3Å; G365-T367 PolarHBondContact O-N 2.97Å; G365-T368 PolarHBondContact O-N 3.25Å; G365-T368 PolarHBondContact O-OG1 2.89Å; G365-L369 WeakPolarHBondContact O-CB 3.44Å; G365-L369 PolarHBondContact O-N 2.86Å |
| 366 | K | 92.3 | Very high | 90.1 | Very high | 25 Ų | 25 | 21 Ų | 21 | 11% | 0.109 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -51.5 | -51.9 | 176.8 | -60.5 | -171.1 | -63.5 | -75.2 | 0 | 112.9 | I358 G360 P361 I364 T368 L369 A370 D576 L620 | I358-K366 HydrophobicContact CG2-CB 3.8Å; I358-K366 HydrophobicContact CG2-CD 4.34Å; I358-K366 HydrophobicContact CG2-CG 3.91Å; G360-K366 WeakPolarHBondContact O-CE 3.41Å; G360-K366 PolarHBondContact O-NZ 3.38Å; P361-K366 PolarHBondContact O-NZ 2.83Å; I364-K366 HydrophobicContact CG2-CG 3.62Å; K366-T368 PolarHBondContact O-N 3.03Å; K366-L369 PolarHBondContact O-N 3.39Å; K366-A370 WeakPolarHBondContact O-CB 3.39Å; K366-A370 PolarHBondContact O-N 2.83Å; K366-D576 VanDerWaalsContact CB-OD1 3.29Å; K366-D576 WeakPolarHBondContact CB-OD1 3.41Å; K366-L620 HydrophobicContact CG-CD1 4.14Å |
| 367 | T | 90.1 | Very high | 89.3 | Confident | 59 Ų | 59 | 22.6 Ų | 22.6 | 36% | 0.362 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -66.6 | -33.6 | -177.3 | -49.1 | 0 | 0 | 0 | 0 | 112.7 | G365 A370 K371 D576 | G365-T367 PolarHBondContact O-N 2.97Å; T367-A370 PolarHBondContact O-N 3.03Å; T367-K371 WeakPolarHBondContact O-CG 3.38Å; T367-K371 PolarHBondContact O-N 3.11Å; T367-D576 VanDerWaalsContact CA-OD2 3.25Å; T367-D576 WeakPolarHBondContact CA-OD2 3.31Å; T367-D576 VanDerWaalsContact CB-OD2 3.26Å; T367-D576 WeakPolarHBondContact CB-OD2 3.31Å; T367-D576 WeakPolarHBondContact CG2-OD2 3.38Å; T367-D576 PolarHBondContact OG1-OD2 3.17Å |
| 368 | T | 89.8 | Confident | 88.4 | Confident | 45 Ų | 45 | 30.6 Ų | 30.6 | 28% | 0.276 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -74.9 | -37.4 | 177.4 | 61.7 | 0 | 0 | 0 | 0 | 111.2 | G365 K366 E372 N842 G843 | G365-T368 PolarHBondContact O-N 3.25Å; G365-T368 PolarHBondContact O-OG1 2.89Å; K366-T368 PolarHBondContact O-N 3.03Å; T368-E372 PolarHBondContact O-N 3.26Å; T368-N842 WeakPolarHBondContact CB-O 3.15Å; T368-N842 WeakPolarHBondContact CG2-O 3.48Å; T368-G843 PolarHBondContact OG1-O 3.22Å |
| 369 | L | 91.9 | Very high | 87.8 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.1 | -42.8 | 168.6 | -179.2 | 64.5 | 0 | 0 | 0 | 111.8 | I358 G365 K366 E372 L373 I618 L620 P844 L849 V852 | I358-L369 HydrophobicContact CD1-CD2 4.28Å; I358-L369 HydrophobicContact CD1-CG 4.24Å; I358-L369 HydrophobicContact CG2-CD2 4.44Å; G365-L369 WeakPolarHBondContact O-CB 3.44Å; G365-L369 PolarHBondContact O-N 2.86Å; K366-L369 PolarHBondContact O-N 3.39Å; L369-E372 PolarHBondContact O-N 2.65Å; L369-L373 HydrophobicContact CD1-CD1 3.95Å; L369-L373 HydrophobicContact CD1-CG 4.18Å; L369-L373 HydrophobicContact CD2-CD1 4.44Å; L369-L373 HydrophobicContact CG-CD1 3.77Å; L369-L373 HydrophobicContact CG-CG 4.39Å; L369-L373 WeakPolarHBondContact O-CB 3.07Å; L369-L373 VanDerWaalsContact O-CG 3.27Å; L369-L373 WeakPolarHBondContact O-CG 3.5Å; L369-L373 PolarHBondContact O-N 2.93Å; L369-I618 HydrophobicContact CD2-CG2 4.26Å; L369-L620 HydrophobicContact CD2-CD1 4.03Å; L369-L620 HydrophobicContact CD2-CD2 4.03Å; L369-L620 HydrophobicContact CD2-CG 4.45Å; L369-P844 HydrophobicContact CB-CB 4.24Å; L369-P844 HydrophobicContact CD1-CB 4.26Å; L369-L849 HydrophobicContact CD1-CB 4.4Å; L369-L849 HydrophobicContact CD1-CD1 3.82Å; L369-V852 HydrophobicContact CD2-CG2 4.39Å |
| 370 | A | 92 | Very high | 87.4 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.8 | -48.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I358 K366 T367 L373 C374 I574 | I358-A370 HydrophobicContact CD1-CB 4.02Å; K366-A370 WeakPolarHBondContact O-CB 3.39Å; K366-A370 PolarHBondContact O-N 2.83Å; T367-A370 PolarHBondContact O-N 3.03Å; A370-L373 PolarHBondContact O-N 3.09Å; A370-C374 WeakPolarHBondContact O-CB 3.31Å; A370-C374 PolarHBondContact O-N 3.35Å; A370-C374 PolarHBondContact O-SG 2.92Å; A370-I574 HydrophobicContact CB-CG2 4.03Å |
| 371 | K | 88.9 | Confident | 87.4 | Confident | 41 Ų | 41 | 31.1 Ų | 31.1 | 18% | 0.178 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.6 | -45.7 | 179.1 | -72.4 | -170 | -179.7 | -166.7 | 0 | 112.7 | T367 L373 C374 K375 N507 Y511 | T367-K371 WeakPolarHBondContact O-CG 3.38Å; T367-K371 PolarHBondContact O-N 3.11Å; K371-L373 PolarHBondContact O-N 3.2Å; K371-C374 PolarHBondContact O-N 3.36Å; K371-K375 WeakPolarHBondContact O-CB 3.35Å; K371-K375 PolarHBondContact O-N 3.03Å; K371-N507 PolarHBondContact NZ-O 3.4Å; K371-Y511 HydrophobicContact CB-CD2 4.35Å; K371-Y511 HydrophobicContact CB-CE2 4.2Å; K371-Y511 HydrophobicContact CG-CD2 4.16Å; K371-Y511 HydrophobicContact CG-CE2 4.35Å |
| 372 | E | 87.7 | Confident | 87.4 | Confident | 24 Ų | 24 | 31.1 Ų | 31.1 | 11% | 0.112 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.3 | -38.6 | 176 | -74 | -56 | 134.9 | 0 | 0 | 112.5 | T368 L369 K375 I376 M840 P844 L849 | T368-E372 PolarHBondContact O-N 3.26Å; L369-E372 PolarHBondContact O-N 2.65Å; E372-K375 PolarHBondContact O-N 3.45Å; E372-K375 IonicContact OE1-NZ 2.66Å; E372-K375 PolarHBondContact OE1-NZ 2.7Å; E372-K375 IonicContact OE2-NZ 3.7Å; E372-K375 PolarHBondContact OE2-NZ 3.08Å; E372-I376 WeakPolarHBondContact O-CB 3.37Å; E372-I376 VanDerWaalsContact O-CD1 3.31Å; E372-I376 WeakPolarHBondContact O-CD1 3.38Å; E372-I376 WeakPolarHBondContact O-CG1 3.47Å; E372-I376 PolarHBondContact O-N 3.07Å; E372-M840 WeakPolarHBondContact OE1-CE 3.49Å; E372-P844 HydrophobicContact CB-CG 4.08Å; E372-P844 VanDerWaalsContact CG-CD 3.46Å; E372-P844 HydrophobicContact CG-CG 3.79Å; E372-L849 HydrophobicContact CB-CD1 4.41Å |
| 373 | L | 87.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.2 | -38.8 | 175 | -70.7 | 170.3 | 0 | 0 | 0 | 112.1 | L356 I358 L369 A370 K371 K375 I376 Y377 I574 I618 L849 V852 | L356-L373 HydrophobicContact CD1-CD1 4.44Å; I358-L373 HydrophobicContact CD1-CD1 3.9Å; L369-L373 HydrophobicContact CD1-CD1 3.95Å; L369-L373 HydrophobicContact CD1-CG 4.18Å; L369-L373 HydrophobicContact CD2-CD1 4.44Å; L369-L373 HydrophobicContact CG-CD1 3.77Å; L369-L373 HydrophobicContact CG-CG 4.39Å; L369-L373 WeakPolarHBondContact O-CB 3.07Å; L369-L373 VanDerWaalsContact O-CG 3.27Å; L369-L373 WeakPolarHBondContact O-CG 3.5Å; L369-L373 PolarHBondContact O-N 2.93Å; A370-L373 PolarHBondContact O-N 3.09Å; K371-L373 PolarHBondContact O-N 3.2Å; L373-K375 VanDerWaalsContact C-N 3.35Å; L373-I376 PolarHBondContact O-N 2.86Å; L373-Y377 HydrophobicContact CD2-CD2 4.05Å; L373-Y377 HydrophobicContact CD2-CE2 3.79Å; L373-Y377 WeakPolarHBondContact O-CB 3.2Å; L373-Y377 PolarHBondContact O-N 3.31Å; L373-I574 HydrophobicContact CB-CD1 3.36Å; L373-I574 HydrophobicContact CD1-CD1 4.37Å; L373-I618 HydrophobicContact CD1-CD1 4.22Å; L373-L849 HydrophobicContact CD2-CD1 3.71Å; L373-L849 HydrophobicContact CG-CD1 4.03Å; L373-V852 HydrophobicContact CD1-CG1 3.92Å; L373-V852 HydrophobicContact CD2-CG1 3.79Å |
| 374 | C | 86.2 | Confident | 87.6 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.007 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.8 | -44.2 | 173.7 | -69.2 | 0 | 0 | 0 | 0 | 111.2 | A370 K371 R378 L379 Y511 I574 | A370-C374 WeakPolarHBondContact O-CB 3.31Å; A370-C374 PolarHBondContact O-N 3.35Å; A370-C374 PolarHBondContact O-SG 2.92Å; K371-C374 PolarHBondContact O-N 3.36Å; C374-R378 WeakPolarHBondContact O-CA 3.26Å; C374-R378 PolarHBondContact O-N 2.67Å; C374-L379 VanDerWaalsContact CB-O 3.27Å; C374-L379 WeakPolarHBondContact CB-O 3.49Å; C374-L379 PolarHBondContact O-N 3.27Å; C374-L379 VanDerWaalsContact O-N 3.14Å; C374-L379 PolarHBondContact SG-O 2.9Å; C374-Y511 HydrophobicContact CB-CD1 3.87Å; C374-Y511 HydrophobicContact CB-CD2 4.32Å; C374-Y511 HydrophobicContact CB-CG 3.76Å; C374-I574 WeakPolarHBondContact SG-CD1 3.43Å |
| 375 | K | 81.1 | Confident | 87.3 | Confident | 98 Ų | 98 | 33.7 Ų | 33.7 | 43% | 0.426 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63.9 | -40 | 175.4 | 178.8 | -179.2 | 169.6 | -165 | 0 | 113.4 | K371 E372 L373 Y511 | K371-K375 WeakPolarHBondContact O-CB 3.35Å; K371-K375 PolarHBondContact O-N 3.03Å; E372-K375 PolarHBondContact O-N 3.45Å; E372-K375 IonicContact OE1-NZ 2.66Å; E372-K375 PolarHBondContact OE1-NZ 2.7Å; E372-K375 IonicContact OE2-NZ 3.7Å; E372-K375 PolarHBondContact OE2-NZ 3.08Å; L373-K375 VanDerWaalsContact C-N 3.35Å; K375-Y511 HydrophobicContact CB-CE1 4.09Å |
| 376 | I | 80.8 | Confident | 87.3 | Confident | 55 Ų | 55 | 32.9 Ų | 32.9 | 28% | 0.282 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -74.1 | -46.4 | -178.9 | -70.6 | 160.1 | 0 | 0 | 0 | 112 | E372 L373 L849 | E372-I376 WeakPolarHBondContact O-CB 3.37Å; E372-I376 VanDerWaalsContact O-CD1 3.31Å; E372-I376 WeakPolarHBondContact O-CD1 3.38Å; E372-I376 WeakPolarHBondContact O-CG1 3.47Å; E372-I376 PolarHBondContact O-N 3.07Å; L373-I376 PolarHBondContact O-N 2.86Å; I376-L849 HydrophobicContact CD1-CD1 4.05Å; I376-L849 HydrophobicContact CD1-CD2 3.89Å; I376-L849 HydrophobicContact CD1-CG 4.4Å |
| 377 | Y | 77.1 | Confident | 87.2 | Confident | 32 Ų | 32 | 32 Ų | 32 | 13% | 0.125 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -99.6 | -0.9 | -173.3 | -68.5 | -78.9 | 0 | 0 | 0 | 113.8 | L354 L373 I856 G857 R859 | L354-Y377 HydrophobicContact CD2-CD1 4.04Å; L354-Y377 HydrophobicContact CD2-CG 4.14Å; L373-Y377 HydrophobicContact CD2-CD2 4.05Å; L373-Y377 HydrophobicContact CD2-CE2 3.79Å; L373-Y377 WeakPolarHBondContact O-CB 3.2Å; L373-Y377 PolarHBondContact O-N 3.31Å; Y377-I856 HydrophobicContact CD1-CG2 4.36Å; Y377-I856 HydrophobicContact CE1-CG2 3.62Å; Y377-I856 HydrophobicContact CE2-CD1 4.22Å; Y377-I856 HydrophobicContact CE2-CG2 4.25Å; Y377-G857 PolarHBondContact OH-O 3.42Å; Y377-R859 HydrophobicContact CD1-CB 4.21Å; Y377-R859 HydrophobicContact CD1-CG 4.42Å; Y377-R859 HydrophobicContact CE1-CB 4.23Å; Y377-R859 HydrophobicContact CE1-CG 4.39Å |
| 378 | R | 76.5 | Confident | 87 | Confident | 170 Ų | 170 | 30.1 Ų | 30.1 | 64% | 0.642 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 56.5 | -174.5 | -60.8 | -176.8 | 179.9 | -178.5 | -2.6 | 112.5 | C374 | C374-R378 WeakPolarHBondContact O-CA 3.26Å; C374-R378 PolarHBondContact O-N 2.67Å |
| 379 | L | 83.3 | Confident | 86.8 | Confident | 6 Ų | 6 | 30.8 Ų | 30.8 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | trans | -110.1 | 160.5 | 180 | -53.6 | -179.2 | 0 | 0 | 0 | 111.6 | L354 L356 C374 Q571 I574 | L354-L379 HydrophobicContact CB-CD1 4.04Å; L354-L379 HydrophobicContact CB-CD2 3.85Å; L354-L379 HydrophobicContact CD2-CD1 3.97Å; L354-L379 HydrophobicContact CG-CD1 3.97Å; L356-L379 HydrophobicContact CD1-CD1 3.94Å; L356-L379 HydrophobicContact CG-CD1 4.28Å; C374-L379 VanDerWaalsContact CB-O 3.27Å; C374-L379 WeakPolarHBondContact CB-O 3.49Å; C374-L379 PolarHBondContact O-N 3.27Å; C374-L379 VanDerWaalsContact O-N 3.14Å; C374-L379 PolarHBondContact SG-O 2.9Å; L379-Q571 WeakPolarHBondContact CD2-O 3.46Å; L379-I574 HydrophobicContact CB-CG1 4.03Å; L379-I574 HydrophobicContact CD1-CD1 4.12Å; L379-I574 HydrophobicContact CD1-CG1 3.77Å | ||
| 380 | H | 87.1 | Confident | 86.6 | Confident | 12 Ų | 12 | 31.3 Ų | 31.3 | 6% | 0.056 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 127.3 | 174 | -62.9 | -40.9 | 0 | 0 | 0 | 112.6 | Q224 I382 Y511 P513 P567 Q571 G572 F573 I574 | Q224-H380 PolarHBondContact NE2-CE1 2.71Å; Q224-H380 PolarHBondContact NE2-NE2 3.07Å; Q224-H380 PolarHBondContact OE1-CE1 2.66Å; H380-I382 HydrophobicContact CB-CD1 4.13Å; H380-I382 HydrophobicContact CB-CG1 4.3Å; H380-I382 PolarHBondContact O-N 2.97Å; H380-Y511 WeakPolarHBondContact CA-O 3.35Å; H380-P513 HydrophobicContact CB-CG 3.77Å; H380-P567 VanDerWaalsContact CD2-C 3.42Å; H380-P567 PolarHBondContact CD2-O 3.4Å; H380-P567 VanDerWaalsContact CD2-O 3.28Å; H380-P567 WeakPolarHBondContact NE2-CB 3.4Å; H380-P567 PolarHBondContact NE2-O 3.5Å; H380-Q571 PolarHBondContact CE1-OE1 3.28Å; H380-Q571 PolarHBondContact NE2-OE1 2.96Å; H380-Q571 VanDerWaalsContact NE2-OE1 3.13Å; H380-G572 PolarHBondContact CD2-O 2.93Å; H380-G572 VanDerWaalsContact CD2-O 3.29Å; H380-G572 PolarHBondContact N-O 3.41Å; H380-F573 HydrophobicContact CB-CB 4.15Å; H380-F573 CarbonylContact O-C 3.39Å; H380-F573 VanDerWaalsContact O-CA 3.29Å; H380-F573 WeakPolarHBondContact O-CA 3.23Å; H380-I574 PolarHBondContact O-N 3.42Å |
| 381 | H | 91.6 | Very high | 86.5 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.009 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 102.1 | 172.9 | -177.1 | -154.2 | 0 | 0 | 0 | 109.1 | H383 Y511 Y512 D576 | H381-H383 AromaticContact CE1-CD2 3.76Å; H381-H383 AromaticContact ND1-CD2 3.82Å; H381-Y511 PolarHBondContact N-O 3.46Å; H381-Y512 WeakPolarHBondContact O-CD2 3.47Å; H381-D576 IonicContact CE1-OD2 2.73Å; H381-D576 WeakPolarHBondContact NE2-CB 3.38Å; H381-D576 IonicContact NE2-OD2 2.87Å; H381-D576 PolarHBondContact NE2-OD2 3.32Å |
| 382 | I | 93.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 115 | -179.7 | -56.2 | -60.2 | 0 | 0 | 0 | 109.3 | H380 Y512 P513 L559 K562 L563 F573 I574 L575 D576 | H380-I382 HydrophobicContact CB-CD1 4.13Å; H380-I382 HydrophobicContact CB-CG1 4.3Å; H380-I382 PolarHBondContact O-N 2.97Å; I382-Y512 HydrophobicContact CD1-CD2 4.49Å; I382-Y512 HydrophobicContact CD1-CE2 4.12Å; I382-P513 HydrophobicContact CD1-CG 3.92Å; I382-L559 HydrophobicContact CG2-CD1 3.66Å; I382-K562 HydrophobicContact CD1-CG 4.33Å; I382-L563 HydrophobicContact CB-CD2 4.33Å; I382-L563 HydrophobicContact CG1-CD2 4.12Å; I382-L563 HydrophobicContact CG2-CD2 3.97Å; I382-F573 HydrophobicContact CG1-CB 3.82Å; I382-F573 HydrophobicContact CG1-CG 4.45Å; I382-I574 PolarHBondContact N-O 3.13Å; I382-L575 HydrophobicContact CB-CD1 4.3Å; I382-L575 HydrophobicContact CG2-CD1 3.91Å; I382-L575 WeakPolarHBondContact O-CA 3.34Å; I382-D576 PolarHBondContact O-N 3.31Å |
| 383 | H | 92.3 | Very high | 86.2 | Confident | 17 Ų | 17 | 33.2 Ų | 33.2 | 8% | 0.079 | 14% | 0.141 | C | C | . | . | trans | -139.2 | 147.8 | 178.8 | 61.9 | 99.3 | 0 | 0 | 0 | 110.6 | H381 K385 G386 L387 D508 Y512 D576 | H381-H383 AromaticContact CE1-CD2 3.76Å; H381-H383 AromaticContact ND1-CD2 3.82Å; H383-K385 PolarHBondContact O-N 3.41Å; H383-K385 VanDerWaalsContact O-N 3.13Å; H383-G386 PolarHBondContact CE1-N 3.14Å; H383-G386 PolarHBondContact ND1-N 3.28Å; H383-G386 PolarHBondContact O-N 2.79Å; H383-L387 PolarHBondContact O-N 2.85Å; H383-D508 PolarHBondContact NE2-O 2.75Å; H383-Y512 AromaticContact CD2-CD2 3.78Å; H383-Y512 AromaticContact NE2-CD2 3.66Å; H383-D576 HydrophobicContact CB-CB 4.27Å | ||
| 384 | L | 89.4 | Confident | 86.1 | Confident | 40 Ų | 40 | 34.6 Ų | 34.6 | 21% | 0.209 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.9 | -30.8 | -172.3 | -57.8 | 176.3 | 0 | 0 | 0 | 113.9 | L388 L555 L559 F578 | L384-L388 WeakPolarHBondContact O-CG 3.4Å; L384-L388 PolarHBondContact O-N 3.49Å; L384-L388 VanDerWaalsContact O-N 3.12Å; L384-L555 HydrophobicContact CD1-CD2 4.1Å; L384-L555 HydrophobicContact CD2-CD1 4.13Å; L384-L555 HydrophobicContact CD2-CD2 4.16Å; L384-L555 HydrophobicContact CD2-CG 4.18Å; L384-L559 HydrophobicContact CD2-CD2 4.41Å; L384-F578 HydrophobicContact CD1-CB 4.28Å; L384-F578 HydrophobicContact CD1-CD2 3.77Å; L384-F578 HydrophobicContact CD1-CE2 4.42Å; L384-F578 HydrophobicContact CD1-CG 4.16Å; L384-F578 HydrophobicContact CD2-CB 4.34Å; L384-F578 HydrophobicContact CD2-CD1 4.32Å; L384-F578 HydrophobicContact CD2-CD2 4.3Å; L384-F578 HydrophobicContact CD2-CG 4.05Å; L384-F578 HydrophobicContact CG-CB 4.31Å; L384-F578 HydrophobicContact CG-CD2 4.47Å; L384-F578 HydrophobicContact CG-CG 4.39Å |
| 385 | K | 85.7 | Confident | 86.3 | Confident | 63 Ų | 63 | 34.9 Ų | 34.9 | 27% | 0.274 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -64.3 | -41.1 | 176.2 | 178.2 | -173.3 | 170 | -171.7 | 0 | 111.4 | H383 Y389 D508 | H383-K385 PolarHBondContact O-N 3.41Å; H383-K385 VanDerWaalsContact O-N 3.13Å; K385-Y389 VanDerWaalsContact O-CB 3.3Å; K385-Y389 WeakPolarHBondContact O-CB 3.48Å; K385-Y389 PolarHBondContact O-N 2.84Å; K385-Y389 VanDerWaalsContact O-N 3.11Å; K385-D508 IonicContact NZ-OD2 3.67Å; K385-D508 PolarHBondContact NZ-OD2 2.72Å |
| 386 | G | 87 | Confident | 86.5 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -71.5 | -41.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | H383 L388 Y389 E390 | H383-G386 PolarHBondContact CE1-N 3.14Å; H383-G386 PolarHBondContact ND1-N 3.28Å; H383-G386 PolarHBondContact O-N 2.79Å; G386-L388 PolarHBondContact O-N 2.85Å; G386-Y389 PolarHBondContact O-N 3.18Å; G386-E390 WeakPolarHBondContact O-CB 3.32Å; G386-E390 PolarHBondContact O-N 2.94Å |
| 387 | L | 90.2 | Very high | 86.6 | Confident | 5 Ų | 5 | 29.2 Ų | 29.2 | 3% | 0.026 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -56.5 | -51.2 | 174.8 | -178.3 | 71.6 | 0 | 0 | 0 | 112.5 | H383 E390 Y391 Y512 L558 L559 K562 | H383-L387 PolarHBondContact O-N 2.85Å; L387-E390 PolarHBondContact O-N 3.37Å; L387-Y391 WeakPolarHBondContact O-CB 3.23Å; L387-Y391 PolarHBondContact O-N 3.48Å; L387-Y512 WeakPolarHBondContact CA-OH 3.48Å; L387-Y512 PolarHBondContact N-OH 3.13Å; L387-L558 HydrophobicContact CD1-CB 4.42Å; L387-L558 HydrophobicContact CD2-CB 4.03Å; L387-L558 HydrophobicContact CG-CB 4.36Å; L387-L559 HydrophobicContact CD2-CB 3.86Å; L387-L559 HydrophobicContact CD2-CD1 4.18Å; L387-K562 HydrophobicContact CD1-CB 3.57Å; L387-K562 HydrophobicContact CD1-CD 4.48Å; L387-K562 HydrophobicContact CD1-CG 3.96Å |
| 388 | L | 87.6 | Confident | 87.1 | Confident | 21 Ų | 21 | 27.7 Ų | 27.7 | 11% | 0.11 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.4 | -36.5 | -179.2 | -66.2 | 173.4 | 0 | 0 | 0 | 112 | L384 G386 I392 L550 L555 L558 W652 | L384-L388 WeakPolarHBondContact O-CG 3.4Å; L384-L388 PolarHBondContact O-N 3.49Å; L384-L388 VanDerWaalsContact O-N 3.12Å; G386-L388 PolarHBondContact O-N 2.85Å; L388-I392 WeakPolarHBondContact O-CB 3.27Å; L388-I392 WeakPolarHBondContact O-CD1 3.18Å; L388-I392 VanDerWaalsContact O-CG1 3.27Å; L388-I392 WeakPolarHBondContact O-CG1 3.24Å; L388-I392 PolarHBondContact O-N 2.94Å; L388-I392 VanDerWaalsContact O-N 3.07Å; L388-L550 HydrophobicContact CD1-CD1 4.21Å; L388-L550 HydrophobicContact CD2-CD1 3.78Å; L388-L550 HydrophobicContact CD2-CD2 3.8Å; L388-L550 HydrophobicContact CD2-CG 4.47Å; L388-L555 HydrophobicContact CD1-CD1 4.37Å; L388-L555 HydrophobicContact CD2-CD1 4.12Å; L388-L555 HydrophobicContact CG-CD1 4.37Å; L388-L558 HydrophobicContact CD2-CD1 4.42Å; L388-W652 HydrophobicContact CB-CE3 4.31Å; L388-W652 HydrophobicContact CB-CH2 3.77Å; L388-W652 HydrophobicContact CB-CZ2 4.3Å; L388-W652 HydrophobicContact CB-CZ3 3.78Å; L388-W652 HydrophobicContact CD1-CH2 3.68Å; L388-W652 HydrophobicContact CD1-CZ3 3.96Å; L388-W652 HydrophobicContact CG-CH2 4.39Å; L388-W652 HydrophobicContact CG-CZ3 4.47Å |
| 389 | Y | 85.8 | Confident | 87.6 | Confident | 59 Ų | 59 | 20.2 Ų | 20.2 | 23% | 0.231 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.3 | -51.5 | 173.4 | 172.7 | -92.3 | 0 | 0 | 0 | 111.7 | K385 G386 R393 L509 W652 | K385-Y389 VanDerWaalsContact O-CB 3.3Å; K385-Y389 WeakPolarHBondContact O-CB 3.48Å; K385-Y389 PolarHBondContact O-N 2.84Å; K385-Y389 VanDerWaalsContact O-N 3.11Å; G386-Y389 PolarHBondContact O-N 3.18Å; Y389-R393 WeakPolarHBondContact O-CB 3.42Å; Y389-R393 PolarHBondContact O-N 3.45Å; Y389-L509 HydrophobicContact CD1-CD1 3.58Å; Y389-L509 HydrophobicContact CE1-CD1 3.53Å; Y389-L509 HydrophobicContact CG-CD1 4.34Å; Y389-W652 AromaticContact CD2-CD1 3.97Å |
| 390 | E | 86.8 | Confident | 87.6 | Confident | 12 Ų | 12 | 23.8 Ų | 23.8 | 6% | 0.056 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.4 | -50.3 | 178.9 | 177.3 | -175.2 | -151.5 | 0 | 0 | 111.5 | G386 L387 I392 R393 N394 Y512 L514 S515 K562 | G386-E390 WeakPolarHBondContact O-CB 3.32Å; G386-E390 PolarHBondContact O-N 2.94Å; L387-E390 PolarHBondContact O-N 3.37Å; E390-I392 PolarHBondContact O-N 2.92Å; E390-R393 WeakPolarHBondContact O-CB 3.07Å; E390-R393 PolarHBondContact O-N 3.46Å; E390-N394 WeakPolarHBondContact O-CB 3.4Å; E390-N394 VanDerWaalsContact O-CG 3.26Å; E390-N394 PolarHBondContact O-N 2.78Å; E390-N394 PolarHBondContact O-OD1 3.48Å; E390-Y512 HydrophobicContact CB-CE1 4.32Å; E390-Y512 WeakPolarHBondContact OE2-CE1 3.37Å; E390-Y512 PolarHBondContact OE2-OH 3.42Å; E390-L514 HydrophobicContact CB-CD2 3.95Å; E390-L514 HydrophobicContact CG-CD2 4.12Å; E390-S515 WeakPolarHBondContact OE1-CB 3.28Å; E390-S515 PolarHBondContact OE1-N 2.89Å; E390-S515 PolarHBondContact OE1-OG 3.36Å; E390-K562 IonicContact OE1-NZ 2.66Å; E390-K562 PolarHBondContact OE1-NZ 3.45Å; E390-K562 WeakPolarHBondContact OE2-CD 3.29Å; E390-K562 VanDerWaalsContact OE2-CE 3.26Å; E390-K562 WeakPolarHBondContact OE2-CE 3.38Å; E390-K562 IonicContact OE2-NZ 3.47Å; E390-K562 PolarHBondContact OE2-NZ 3.49Å |
| 391 | Y | 89.3 | Confident | 87.3 | Confident | 53 Ų | 53 | 24.2 Ų | 24.2 | 21% | 0.208 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63 | -45.8 | -176.3 | -168.2 | -109.6 | 0 | 0 | 0 | 111.3 | L387 N394 L395 L540 L558 | L387-Y391 WeakPolarHBondContact O-CB 3.23Å; L387-Y391 PolarHBondContact O-N 3.48Å; Y391-N394 PolarHBondContact O-N 2.82Å; Y391-L395 HydrophobicContact CD1-CD1 4.05Å; Y391-L395 HydrophobicContact CE1-CD1 3.74Å; Y391-L395 WeakPolarHBondContact O-CG 3.23Å; Y391-L395 PolarHBondContact O-N 3.38Å; Y391-L395 VanDerWaalsContact O-N 3.08Å; Y391-L540 HydrophobicContact CD1-CD1 3.78Å; Y391-L540 HydrophobicContact CD1-CD2 4.21Å; Y391-L540 HydrophobicContact CD1-CG 4.41Å; Y391-L540 HydrophobicContact CE1-CD1 3.7Å; Y391-L540 HydrophobicContact CE1-CD2 3.89Å; Y391-L540 HydrophobicContact CE1-CG 3.95Å; Y391-L558 HydrophobicContact CD1-CD1 3.84Å; Y391-L558 HydrophobicContact CD1-CD2 3.95Å; Y391-L558 HydrophobicContact CD2-CD2 3.72Å; Y391-L558 HydrophobicContact CE1-CD1 4.09Å; Y391-L558 HydrophobicContact CE1-CD2 3.7Å; Y391-L558 HydrophobicContact CE2-CD2 3.45Å; Y391-L558 VanDerWaalsContact CE2-CD2 3.45Å; Y391-L558 HydrophobicContact CG-CD1 4.22Å; Y391-L558 HydrophobicContact CG-CD2 3.97Å; Y391-L558 VanDerWaalsContact CZ-CD2 3.45Å |
| 392 | I | 86.5 | Confident | 87.1 | Confident | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.2 | -37.3 | 178.1 | -66 | 165.5 | 0 | 0 | 0 | 111.5 | L388 E390 N394 L395 L396 L540 W652 L656 | L388-I392 WeakPolarHBondContact O-CB 3.27Å; L388-I392 WeakPolarHBondContact O-CD1 3.18Å; L388-I392 VanDerWaalsContact O-CG1 3.27Å; L388-I392 WeakPolarHBondContact O-CG1 3.24Å; L388-I392 PolarHBondContact O-N 2.94Å; L388-I392 VanDerWaalsContact O-N 3.07Å; E390-I392 PolarHBondContact O-N 2.92Å; I392-N394 PolarHBondContact O-N 3.33Å; I392-L395 PolarHBondContact O-N 3.2Å; I392-L396 HydrophobicContact CG2-CD1 3.69Å; I392-L396 HydrophobicContact CG2-CG 4.12Å; I392-L396 WeakPolarHBondContact O-CB 3.45Å; I392-L396 VanDerWaalsContact O-CG 3.3Å; I392-L396 WeakPolarHBondContact O-CG 3.41Å; I392-L396 PolarHBondContact O-N 2.92Å; I392-L540 HydrophobicContact CG1-CD1 4.2Å; I392-W652 HydrophobicContact CB-CB 4.45Å; I392-W652 HydrophobicContact CD1-CB 4.29Å; I392-W652 HydrophobicContact CD1-CD2 4.27Å; I392-W652 HydrophobicContact CD1-CE3 3.47Å; I392-W652 VanDerWaalsContact CD1-CE3 3.47Å; I392-W652 HydrophobicContact CD1-CZ3 4.16Å; I392-W652 HydrophobicContact CG2-CB 4.1Å; I392-L656 HydrophobicContact CD1-CD1 3.87Å; I392-L656 HydrophobicContact CD1-CD2 4.23Å; I392-L656 HydrophobicContact CD1-CG 3.97Å |
| 393 | R | 84.5 | Confident | 86.6 | Confident | 49 Ų | 49 | 29.5 Ų | 29.5 | 19% | 0.185 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.2 | -49.6 | 172.7 | -179.7 | -161.8 | 70.7 | 164.1 | 4.9 | 110.5 | Y389 E390 L395 L396 E397 S515 L517 | Y389-R393 WeakPolarHBondContact O-CB 3.42Å; Y389-R393 PolarHBondContact O-N 3.45Å; E390-R393 WeakPolarHBondContact O-CB 3.07Å; E390-R393 PolarHBondContact O-N 3.46Å; R393-L395 VanDerWaalsContact C-N 3.3Å; R393-L395 PolarHBondContact O-N 3.43Å; R393-L396 PolarHBondContact O-N 3.42Å; R393-E397 PolarHBondContact O-N 2.98Å; R393-S515 PolarHBondContact NH2-O 3.47Å; R393-L517 HydrophobicContact CG-CD2 4.11Å |
| 394 | N | 86.6 | Confident | 85.9 | Confident | 29 Ų | 29 | 30.3 Ų | 30.3 | 16% | 0.155 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.8 | -29.6 | -178 | -68.7 | 7.9 | 0 | 0 | 0 | 112.6 | E390 Y391 I392 P398 S515 P518 | E390-N394 WeakPolarHBondContact O-CB 3.4Å; E390-N394 VanDerWaalsContact O-CG 3.26Å; E390-N394 PolarHBondContact O-N 2.78Å; E390-N394 PolarHBondContact O-OD1 3.48Å; Y391-N394 PolarHBondContact O-N 2.82Å; I392-N394 PolarHBondContact O-N 3.33Å; N394-P398 WeakPolarHBondContact O-CD 3.38Å; N394-S515 PolarHBondContact ND2-OG 3.07Å; N394-P518 HydrophobicContact CB-CG 4.24Å |
| 395 | L | 88.9 | Confident | 85.6 | Confident | 7 Ų | 7 | 29.5 Ų | 29.5 | 4% | 0.037 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -74.9 | -37.2 | 171.8 | -65.9 | 176.3 | 0 | 0 | 0 | 113 | Y391 I392 R393 I399 C533 R536 L537 L540 | Y391-L395 HydrophobicContact CD1-CD1 4.05Å; Y391-L395 HydrophobicContact CE1-CD1 3.74Å; Y391-L395 WeakPolarHBondContact O-CG 3.23Å; Y391-L395 PolarHBondContact O-N 3.38Å; Y391-L395 VanDerWaalsContact O-N 3.08Å; I392-L395 PolarHBondContact O-N 3.2Å; R393-L395 VanDerWaalsContact C-N 3.3Å; R393-L395 PolarHBondContact O-N 3.43Å; L395-I399 VanDerWaalsContact O-CD1 3.29Å; L395-I399 WeakPolarHBondContact O-CD1 3.48Å; L395-I399 WeakPolarHBondContact O-CG1 3.49Å; L395-C533 HydrophobicContact CD2-CB 4.12Å; L395-C533 WeakPolarHBondContact O-CB 3.13Å; L395-R536 HydrophobicContact CD1-CB 4.23Å; L395-R536 HydrophobicContact CD2-CB 3.78Å; L395-L537 HydrophobicContact CD1-CB 4.4Å; L395-L537 HydrophobicContact CD1-CD1 4.37Å; L395-L540 HydrophobicContact CD1-CD1 3.66Å |
| 396 | L | 85.8 | Confident | 85.5 | Confident | 16 Ų | 16 | 30.2 Ų | 30.2 | 8% | 0.084 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -79.5 | -25.9 | -177 | -71.4 | 176.7 | 0 | 0 | 0 | 113.8 | I392 R393 I399 K400 L537 Y655 | I392-L396 HydrophobicContact CG2-CD1 3.69Å; I392-L396 HydrophobicContact CG2-CG 4.12Å; I392-L396 WeakPolarHBondContact O-CB 3.45Å; I392-L396 VanDerWaalsContact O-CG 3.3Å; I392-L396 WeakPolarHBondContact O-CG 3.41Å; I392-L396 PolarHBondContact O-N 2.92Å; R393-L396 PolarHBondContact O-N 3.42Å; L396-I399 PolarHBondContact O-N 2.83Å; L396-K400 WeakPolarHBondContact O-CG 3.49Å; L396-K400 PolarHBondContact O-N 3.28Å; L396-L537 HydrophobicContact CD2-CD2 4.09Å; L396-Y655 HydrophobicContact CD1-CD1 4.16Å; L396-Y655 HydrophobicContact CD1-CD2 3.88Å; L396-Y655 HydrophobicContact CD1-CE1 4.07Å; L396-Y655 HydrophobicContact CD1-CE2 3.79Å; L396-Y655 HydrophobicContact CD1-CG 4.07Å; L396-Y655 HydrophobicContact CD2-CD1 4.04Å; L396-Y655 HydrophobicContact CD2-CE1 3.97Å |
| 397 | E | 83.8 | Confident | 85.2 | Confident | 18 Ų | 18 | 35.4 Ų | 35.4 | 8% | 0.084 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.7 | -47.6 | -175.5 | -161 | 72.9 | 178.2 | 0 | 0 | 113.1 | R393 I399 K400 A401 M471 L517 | R393-E397 PolarHBondContact O-N 2.98Å; E397-I399 PolarHBondContact O-N 3.28Å; E397-K400 PolarHBondContact O-N 2.8Å; E397-A401 PolarHBondContact O-N 3.21Å; E397-A401 VanDerWaalsContact O-N 3.07Å; E397-M471 WeakPolarHBondContact OE1-CB 3.42Å; E397-M471 PolarHBondContact OE1-N 2.93Å; E397-L517 HydrophobicContact CB-CD2 4.25Å; E397-L517 HydrophobicContact CG-CD1 4.25Å; E397-L517 HydrophobicContact CG-CD2 4.15Å |
| 398 | P | 86.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.6 | -40.5 | 174.2 | -22.1 | 35.7 | 0 | 0 | 0 | 112.3 | N394 K400 A401 Y402 P518 W520 L526 L529 V530 | N394-P398 WeakPolarHBondContact O-CD 3.38Å; P398-K400 PolarHBondContact O-N 3.34Å; P398-A401 PolarHBondContact O-N 3.13Å; P398-Y402 PolarHBondContact O-N 3.02Å; P398-P518 HydrophobicContact CG-CB 4.13Å; P398-P518 HydrophobicContact CG-CG 4.32Å; P398-W520 HydrophobicContact CB-CZ3 4.31Å; P398-W520 HydrophobicContact CG-CZ3 4.21Å; P398-L526 HydrophobicContact CB-CD1 4.02Å; P398-L529 HydrophobicContact CB-CD2 3.84Å; P398-L529 HydrophobicContact CB-CG 3.89Å; P398-L529 HydrophobicContact CG-CD2 3.63Å; P398-L529 HydrophobicContact CG-CG 3.85Å; P398-V530 HydrophobicContact CB-CG2 4.12Å; P398-V530 WeakPolarHBondContact O-CG2 3.43Å |
| 399 | I | 86.7 | Confident | 84.3 | Confident | 13 Ų | 13 | 41.4 Ų | 41.4 | 7% | 0.067 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.5 | -48.4 | 179.4 | -62 | 172.7 | 0 | 0 | 0 | 110.4 | L395 L396 E397 Y402 E403 V530 C533 Q534 L537 | L395-I399 VanDerWaalsContact O-CD1 3.29Å; L395-I399 WeakPolarHBondContact O-CD1 3.48Å; L395-I399 WeakPolarHBondContact O-CG1 3.49Å; L396-I399 PolarHBondContact O-N 2.83Å; E397-I399 PolarHBondContact O-N 3.28Å; I399-Y402 PolarHBondContact O-N 3.26Å; I399-E403 WeakPolarHBondContact O-CG 3.34Å; I399-E403 PolarHBondContact O-N 3.34Å; I399-V530 HydrophobicContact CG1-CG1 4.34Å; I399-C533 HydrophobicContact CD1-CB 4.25Å; I399-C533 HydrophobicContact CG1-CB 4.21Å; I399-Q534 HydrophobicContact CD1-CG 3.79Å; I399-Q534 HydrophobicContact CG1-CG 4.12Å; I399-L537 HydrophobicContact CD1-CD2 4.28Å |
| 400 | K | 83.7 | Confident | 84.1 | Confident | 81 Ų | 81 | 42.1 Ų | 42.1 | 35% | 0.352 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.2 | -39.6 | 176.6 | -70.2 | 171.6 | -174 | 170.2 | 0 | 113 | L396 E397 P398 Y402 E403 H404 | L396-K400 WeakPolarHBondContact O-CG 3.49Å; L396-K400 PolarHBondContact O-N 3.28Å; E397-K400 PolarHBondContact O-N 2.8Å; P398-K400 PolarHBondContact O-N 3.34Å; K400-Y402 VanDerWaalsContact C-N 3.3Å; K400-Y402 PolarHBondContact O-N 3.03Å; K400-E403 PolarHBondContact O-N 3.3Å; K400-H404 VanDerWaalsContact O-CB 3.3Å; K400-H404 WeakPolarHBondContact O-CB 3.48Å; K400-H404 PolarHBondContact O-N 2.95Å |
| 401 | A | 80.3 | Confident | 83.8 | Confident | 21 Ų | 21 | 47.3 Ų | 47.3 | 17% | 0.174 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.9 | -41.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | E397 P398 H404 L405 W520 L526 | E397-A401 PolarHBondContact O-N 3.21Å; E397-A401 VanDerWaalsContact O-N 3.07Å; P398-A401 PolarHBondContact O-N 3.13Å; A401-H404 PolarHBondContact O-N 2.64Å; A401-L405 WeakPolarHBondContact O-CB 3.4Å; A401-L405 PolarHBondContact O-N 3.03Å; A401-W520 HydrophobicContact CB-CH2 3.62Å; A401-W520 HydrophobicContact CB-CZ2 3.39Å; A401-L526 HydrophobicContact CB-CD1 4.24Å; A401-L526 HydrophobicContact CB-CD2 4.33Å |
| 402 | Y | 87.4 | Confident | 83.3 | Confident | 36 Ų | 36 | 50.6 Ų | 50.6 | 14% | 0.141 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.2 | -40.7 | 176.6 | -168.9 | -109.7 | 0 | 0 | 0 | 112.9 | P398 I399 K400 H404 L405 L406 L526 E527 V530 | P398-Y402 PolarHBondContact O-N 3.02Å; I399-Y402 PolarHBondContact O-N 3.26Å; K400-Y402 VanDerWaalsContact C-N 3.3Å; K400-Y402 PolarHBondContact O-N 3.03Å; Y402-H404 VanDerWaalsContact C-N 3.28Å; Y402-H404 PolarHBondContact O-N 3.08Å; Y402-L405 HydrophobicContact CD2-CD2 4.49Å; Y402-L405 PolarHBondContact O-N 3.35Å; Y402-L406 HydrophobicContact CD1-CD1 3.88Å; Y402-L406 HydrophobicContact CD1-CG 4.25Å; Y402-L406 HydrophobicContact CE1-CD1 3.63Å; Y402-L406 HydrophobicContact CE1-CD2 4.36Å; Y402-L406 HydrophobicContact CE1-CG 4.05Å; Y402-L406 WeakPolarHBondContact O-CG 3.46Å; Y402-L406 PolarHBondContact O-N 3.41Å; Y402-L526 HydrophobicContact CD2-CD2 4.19Å; Y402-L526 HydrophobicContact CD2-CG 4.1Å; Y402-E527 HydrophobicContact CE2-CB 3.81Å; Y402-E527 HydrophobicContact CE2-CG 4.09Å; Y402-E527 PolarHBondContact OH-OE2 3.25Å; Y402-E527 VanDerWaalsContact OH-OE2 3.06Å; Y402-V530 VanDerWaalsContact CB-CG2 3.43Å; Y402-V530 HydrophobicContact CD1-CG1 4.04Å; Y402-V530 HydrophobicContact CD1-CG2 4.33Å; Y402-V530 HydrophobicContact CD2-CG2 4.5Å; Y402-V530 HydrophobicContact CG-CG1 4.42Å; Y402-V530 HydrophobicContact CG-CG2 3.87Å |
| 403 | E | 83.2 | Confident | 83.1 | Confident | 78 Ų | 78 | 56.6 Ų | 56.6 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -56.8 | -42.2 | 170.7 | -76.1 | 175.3 | -175.7 | 0 | 0 | 111.9 | I399 K400 L406 F407 V662 | I399-E403 WeakPolarHBondContact O-CG 3.34Å; I399-E403 PolarHBondContact O-N 3.34Å; K400-E403 PolarHBondContact O-N 3.3Å; E403-L406 PolarHBondContact O-N 3.1Å; E403-F407 WeakPolarHBondContact O-CB 3.36Å; E403-F407 PolarHBondContact O-N 3.32Å; E403-V662 WeakPolarHBondContact OE1-CG2 3.29Å |
| 404 | H | 78.9 | Confident | 82.9 | Confident | 34 Ų | 34 | 58.1 Ų | 58.1 | 16% | 0.157 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.4 | -39.4 | 176.3 | -173.5 | -104.8 | 0 | 0 | 0 | 112.1 | K400 A401 Y402 F407 I408 Y478 | K400-H404 VanDerWaalsContact O-CB 3.3Å; K400-H404 WeakPolarHBondContact O-CB 3.48Å; K400-H404 PolarHBondContact O-N 2.95Å; A401-H404 PolarHBondContact O-N 2.64Å; Y402-H404 VanDerWaalsContact C-N 3.28Å; Y402-H404 PolarHBondContact O-N 3.08Å; H404-F407 WeakPolarHBondContact O-CB 3.39Å; H404-F407 PolarHBondContact O-N 2.92Å; H404-I408 WeakPolarHBondContact O-CG1 3.47Å; H404-I408 PolarHBondContact O-N 2.86Å; H404-Y478 AromaticContact NE2-CE2 3.96Å; H404-Y478 AromaticContact NE2-CZ 3.95Å |
| 405 | L | 81.6 | Confident | 82.6 | Confident | 22 Ų | 22 | 59 Ų | 59 | 12% | 0.115 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 174.5 | -178.2 | 143.4 | 0 | 0 | 0 | 112.1 | A401 Y402 F407 I408 R409 E523 L526 | A401-L405 WeakPolarHBondContact O-CB 3.4Å; A401-L405 PolarHBondContact O-N 3.03Å; Y402-L405 HydrophobicContact CD2-CD2 4.49Å; Y402-L405 PolarHBondContact O-N 3.35Å; L405-F407 VanDerWaalsContact C-N 3.32Å; L405-F407 PolarHBondContact O-N 3.05Å; L405-I408 PolarHBondContact O-N 3.48Å; L405-R409 HydrophobicContact CD2-CG 4.46Å; L405-R409 PolarHBondContact O-N 2.89Å; L405-E523 HydrophobicContact CD1-CG 3.7Å; L405-E523 HydrophobicContact CD2-CG 4.07Å; L405-E523 WeakPolarHBondContact CD2-OE1 3.34Å; L405-L526 HydrophobicContact CD1-CD2 4.45Å |
| 406 | L | 83.6 | Confident | 82.1 | Confident | 78 Ų | 78 | 61.6 Ų | 61.6 | 41% | 0.408 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.6 | -38.5 | 174 | -69.9 | 178.6 | 0 | 0 | 0 | 111.6 | Y402 E403 R409 E410 | Y402-L406 HydrophobicContact CD1-CD1 3.88Å; Y402-L406 HydrophobicContact CD1-CG 4.25Å; Y402-L406 HydrophobicContact CE1-CD1 3.63Å; Y402-L406 HydrophobicContact CE1-CD2 4.36Å; Y402-L406 HydrophobicContact CE1-CG 4.05Å; Y402-L406 WeakPolarHBondContact O-CG 3.46Å; Y402-L406 PolarHBondContact O-N 3.41Å; E403-L406 PolarHBondContact O-N 3.1Å; L406-R409 PolarHBondContact O-N 2.9Å; L406-E410 WeakPolarHBondContact O-CB 3.38Å; L406-E410 PolarHBondContact O-N 2.83Å |
| 407 | F | 81.6 | Confident | 81.8 | Confident | 109 Ų | 109 | 64.9 Ų | 64.9 | 48% | 0.478 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.9 | -39.3 | 174.8 | 176 | -104.9 | 0 | 0 | 0 | 112.9 | E403 H404 L405 K411 | E403-F407 WeakPolarHBondContact O-CB 3.36Å; E403-F407 PolarHBondContact O-N 3.32Å; H404-F407 WeakPolarHBondContact O-CB 3.39Å; H404-F407 PolarHBondContact O-N 2.92Å; L405-F407 VanDerWaalsContact C-N 3.32Å; L405-F407 PolarHBondContact O-N 3.05Å; F407-K411 HydrophobicContact CE1-CD 3.98Å; F407-K411 HydrophobicContact CZ-CD 4.14Å; F407-K411 VanDerWaalsContact CZ-CE 3.42Å; F407-K411 PolarHBondContact O-N 3.31Å; F407-K411 VanDerWaalsContact O-N 3.08Å |
| 408 | I | 78.3 | Confident | 81.4 | Confident | 36 Ų | 36 | 70.2 Ų | 70.2 | 19% | 0.185 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.4 | -50.4 | 172.7 | -70.4 | 167.6 | 0 | 0 | 0 | 110.1 | H404 L405 E410 K411 E412 L467 | H404-I408 WeakPolarHBondContact O-CG1 3.47Å; H404-I408 PolarHBondContact O-N 2.86Å; L405-I408 PolarHBondContact O-N 3.48Å; I408-E410 VanDerWaalsContact C-N 3.29Å; I408-E410 PolarHBondContact O-N 3.17Å; I408-K411 WeakPolarHBondContact O-CA 3.42Å; I408-K411 WeakPolarHBondContact O-CB 3.39Å; I408-K411 PolarHBondContact O-N 3.25Å; I408-K411 VanDerWaalsContact O-N 3.07Å; I408-E412 HydrophobicContact CG2-CG 4.32Å; I408-E412 WeakPolarHBondContact O-CG 3.49Å; I408-E412 PolarHBondContact O-N 2.91Å; I408-L467 HydrophobicContact CD1-CD1 3.92Å; I408-L467 HydrophobicContact CD1-CD2 3.67Å; I408-L467 HydrophobicContact CD1-CG 4.46Å |
| 409 | R | 80.4 | Confident | 80.8 | Confident | 116 Ų | 116 | 75.4 Ų | 75.4 | 44% | 0.438 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.6 | -38.2 | 178.2 | -79 | -178.8 | 160.7 | -175.9 | -3.6 | 113.3 | L405 L406 E412 R413 E523 | L405-R409 HydrophobicContact CD2-CG 4.46Å; L405-R409 PolarHBondContact O-N 2.89Å; L406-R409 PolarHBondContact O-N 2.9Å; R409-E412 PolarHBondContact O-N 3.35Å; R409-R413 WeakPolarHBondContact O-CB 3.48Å; R409-R413 PolarHBondContact O-N 3.41Å; R409-E523 VanDerWaalsContact CZ-CD 3.41Å; R409-E523 IonicContact CZ-OE1 3.08Å; R409-E523 IonicContact CZ-OE2 2.65Å; R409-E523 IonicContact NE-OE1 3.75Å; R409-E523 IonicContact NE-OE2 2.84Å; R409-E523 IonicContact NH1-OE1 2.81Å; R409-E523 PolarHBondContact NH1-OE1 3.08Å; R409-E523 IonicContact NH1-OE2 3.82Å; R409-E523 IonicContact NH2-OE1 2.8Å; R409-E523 PolarHBondContact NH2-OE1 3.46Å; R409-E523 IonicContact NH2-OE2 3.86Å; R409-E523 PolarHBondContact NH2-OE2 3.11Å |
| 410 | E | 81.8 | Confident | 79.9 | Confident | 75 Ų | 75 | 78.2 Ų | 78.2 | 35% | 0.35 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.6 | -40.2 | 175.4 | -175.4 | 60.7 | -167.3 | 0 | 0 | 111.5 | L406 I408 R413 L414 | L406-E410 WeakPolarHBondContact O-CB 3.38Å; L406-E410 PolarHBondContact O-N 2.83Å; I408-E410 VanDerWaalsContact C-N 3.29Å; I408-E410 PolarHBondContact O-N 3.17Å; E410-R413 PolarHBondContact O-N 2.88Å; E410-R413 IonicContact OE1-CZ 2.64Å; E410-R413 IonicContact OE1-NE 3.68Å; E410-R413 IonicContact OE1-NH2 3.49Å; E410-R413 PolarHBondContact OE1-NH2 3.29Å; E410-R413 IonicContact OE2-CZ 3.77Å; E410-R413 IonicContact OE2-NE 3.66Å; E410-R413 PolarHBondContact OE2-NE 3.03Å; E410-R413 IonicContact OE2-NH2 2.78Å; E410-R413 PolarHBondContact OE2-NH2 3.19Å; E410-L414 HydrophobicContact CG-CD1 4.18Å; E410-L414 WeakPolarHBondContact O-CB 3.38Å; E410-L414 VanDerWaalsContact O-CG 3.25Å; E410-L414 WeakPolarHBondContact O-CG 3.34Å; E410-L414 PolarHBondContact O-N 2.82Å |
| 411 | K | 79.7 | Confident | 79 | Confident | 120 Ų | 120 | 80.1 Ų | 80.1 | 52% | 0.522 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 171.5 | -83.3 | -176.8 | 165.3 | -175.1 | 0 | 112.3 | F407 I408 L414 A415 | F407-K411 HydrophobicContact CE1-CD 3.98Å; F407-K411 HydrophobicContact CZ-CD 4.14Å; F407-K411 VanDerWaalsContact CZ-CE 3.42Å; F407-K411 PolarHBondContact O-N 3.31Å; F407-K411 VanDerWaalsContact O-N 3.08Å; I408-K411 WeakPolarHBondContact O-CA 3.42Å; I408-K411 WeakPolarHBondContact O-CB 3.39Å; I408-K411 PolarHBondContact O-N 3.25Å; I408-K411 VanDerWaalsContact O-N 3.07Å; K411-L414 PolarHBondContact O-N 3.28Å; K411-A415 WeakPolarHBondContact O-CB 3.34Å; K411-A415 PolarHBondContact O-N 2.76Å |
| 412 | E | 79 | Confident | 78.2 | Confident | 123 Ų | 123 | 82.3 Ų | 82.3 | 58% | 0.575 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -63.8 | -42.1 | 176.8 | -71.4 | 177.2 | 163.2 | 0 | 0 | 111.6 | I408 R409 A415 A416 | I408-E412 HydrophobicContact CG2-CG 4.32Å; I408-E412 WeakPolarHBondContact O-CG 3.49Å; I408-E412 PolarHBondContact O-N 2.91Å; R409-E412 PolarHBondContact O-N 3.35Å; E412-A415 PolarHBondContact O-N 2.93Å; E412-A416 WeakPolarHBondContact O-CB 3.41Å; E412-A416 PolarHBondContact O-N 2.94Å |
| 413 | R | 81.9 | Confident | 76.9 | Confident | 127 Ų | 127 | 84.9 Ų | 84.9 | 48% | 0.479 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.1 | -49.7 | 174.2 | -176.4 | 174.7 | 71.6 | 123.7 | -6.6 | 111.6 | R409 E410 A415 A416 E417 | R409-R413 WeakPolarHBondContact O-CB 3.48Å; R409-R413 PolarHBondContact O-N 3.41Å; E410-R413 PolarHBondContact O-N 2.88Å; E410-R413 IonicContact OE1-CZ 2.64Å; E410-R413 IonicContact OE1-NE 3.68Å; E410-R413 IonicContact OE1-NH2 3.49Å; E410-R413 PolarHBondContact OE1-NH2 3.29Å; E410-R413 IonicContact OE2-CZ 3.77Å; E410-R413 IonicContact OE2-NE 3.66Å; E410-R413 PolarHBondContact OE2-NE 3.03Å; E410-R413 IonicContact OE2-NH2 2.78Å; E410-R413 PolarHBondContact OE2-NH2 3.19Å; R413-A415 VanDerWaalsContact C-N 3.3Å; R413-A415 PolarHBondContact O-N 3.26Å; R413-A416 WeakPolarHBondContact O-CB 3.15Å; R413-A416 PolarHBondContact O-N 2.96Å; R413-A416 VanDerWaalsContact O-N 3.11Å; R413-E417 HydrophobicContact CG-CG 4.43Å; R413-E417 WeakPolarHBondContact CG-OE1 3.39Å; R413-E417 IonicContact CZ-OE1 3.04Å; R413-E417 IonicContact NE-OE1 2.65Å; R413-E417 IonicContact NH1-OE1 2.84Å; R413-E417 PolarHBondContact NH1-OE1 3.09Å; R413-E417 WeakPolarHBondContact O-CG 3.49Å; R413-E417 PolarHBondContact O-N 3.48Å |
| 414 | L | 81.8 | Confident | 75.8 | Confident | 81 Ų | 81 | 86.9 Ų | 86.9 | 42% | 0.424 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.8 | -38 | 177.6 | -70.1 | 169.3 | 0 | 0 | 0 | 111.8 | E410 K411 E417 M418 | E410-L414 HydrophobicContact CG-CD1 4.18Å; E410-L414 WeakPolarHBondContact O-CB 3.38Å; E410-L414 VanDerWaalsContact O-CG 3.25Å; E410-L414 WeakPolarHBondContact O-CG 3.34Å; E410-L414 PolarHBondContact O-N 2.82Å; K411-L414 PolarHBondContact O-N 3.28Å; L414-E417 PolarHBondContact O-N 2.84Å; L414-M418 WeakPolarHBondContact O-CB 3.3Å; L414-M418 VanDerWaalsContact O-CG 3.32Å; L414-M418 WeakPolarHBondContact O-CG 3.18Å; L414-M418 PolarHBondContact O-N 3.08Å |
| 415 | A | 79.8 | Confident | 74.9 | Confident | 49 Ų | 49 | 90.4 Ų | 90.4 | 41% | 0.405 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66 | -38.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K411 E412 R413 N419 | K411-A415 WeakPolarHBondContact O-CB 3.34Å; K411-A415 PolarHBondContact O-N 2.76Å; E412-A415 PolarHBondContact O-N 2.93Å; R413-A415 VanDerWaalsContact C-N 3.3Å; R413-A415 PolarHBondContact O-N 3.26Å; A415-N419 WeakPolarHBondContact O-CB 2.93Å; A415-N419 VanDerWaalsContact O-CG 3.31Å; A415-N419 PolarHBondContact O-N 3.43Å; A415-N419 PolarHBondContact O-ND2 3.1Å |
| 416 | A | 79.2 | Confident | 73.9 | Confident | 60 Ų | 60 | 92.9 Ų | 92.9 | 50% | 0.496 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.9 | -41 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E412 R413 N419 S420 | E412-A416 WeakPolarHBondContact O-CB 3.41Å; E412-A416 PolarHBondContact O-N 2.94Å; R413-A416 WeakPolarHBondContact O-CB 3.15Å; R413-A416 PolarHBondContact O-N 2.96Å; R413-A416 VanDerWaalsContact O-N 3.11Å; A416-N419 PolarHBondContact O-N 2.61Å; A416-S420 WeakPolarHBondContact O-CB 3.49Å; A416-S420 PolarHBondContact O-N 2.92Å |
| 417 | E | 79.6 | Confident | 72.8 | Confident | 86 Ų | 86 | 93.3 Ų | 93.3 | 40% | 0.402 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.2 | -47.7 | 175.1 | -73.3 | 173.2 | -174.8 | 0 | 0 | 111 | R413 L414 N419 S420 E421 | R413-E417 HydrophobicContact CG-CG 4.43Å; R413-E417 WeakPolarHBondContact CG-OE1 3.39Å; R413-E417 IonicContact CZ-OE1 3.04Å; R413-E417 IonicContact NE-OE1 2.65Å; R413-E417 IonicContact NH1-OE1 2.84Å; R413-E417 PolarHBondContact NH1-OE1 3.09Å; R413-E417 WeakPolarHBondContact O-CG 3.49Å; R413-E417 PolarHBondContact O-N 3.48Å; L414-E417 PolarHBondContact O-N 2.84Å; E417-N419 VanDerWaalsContact C-N 3.31Å; E417-N419 PolarHBondContact O-N 3.45Å; E417-S420 WeakPolarHBondContact O-CB 3.46Å; E417-S420 PolarHBondContact O-N 3.11Å; E417-S420 VanDerWaalsContact O-N 3.09Å; E417-E421 PolarHBondContact O-N 2.97Å |
| 418 | M | 75 | Confident | 71.7 | Confident | 130 Ų | 130 | 93.5 Ų | 93.5 | 64% | 0.64 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.5 | -37.4 | 174.8 | -73.5 | -175.4 | 73.1 | 0 | 0 | 113 | L414 S422 | L414-M418 WeakPolarHBondContact O-CB 3.3Å; L414-M418 VanDerWaalsContact O-CG 3.32Å; L414-M418 WeakPolarHBondContact O-CG 3.18Å; L414-M418 PolarHBondContact O-N 3.08Å; M418-S422 VanDerWaalsContact O-CB 3.27Å; M418-S422 WeakPolarHBondContact O-CB 3.44Å; M418-S422 PolarHBondContact O-N 2.74Å; M418-S422 PolarHBondContact O-OG 2.81Å |
| 419 | N | 73.6 | Confident | 70.9 | Confident | 108 Ų | 108 | 98.2 Ų | 98.2 | 58% | 0.578 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.6 | -39.8 | 173.7 | -78.5 | -42.9 | 0 | 0 | 0 | 111.7 | A415 A416 E417 S422 V423 | A415-N419 WeakPolarHBondContact O-CB 2.93Å; A415-N419 VanDerWaalsContact O-CG 3.31Å; A415-N419 PolarHBondContact O-N 3.43Å; A415-N419 PolarHBondContact O-ND2 3.1Å; A416-N419 PolarHBondContact O-N 2.61Å; E417-N419 VanDerWaalsContact C-N 3.31Å; E417-N419 PolarHBondContact O-N 3.45Å; N419-S422 PolarHBondContact O-N 3.12Å; N419-V423 VanDerWaalsContact O-CG2 3.32Å; N419-V423 WeakPolarHBondContact O-CG2 3.34Å; N419-V423 PolarHBondContact O-N 3.12Å |
| 420 | S | 68.1 | Low | 69.7 | Low | 73 Ų | 73 | 100.6 Ų | 100.6 | 51% | 0.51 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.2 | -49.9 | 175.4 | -173 | 0 | 0 | 0 | 0 | 111.8 | A416 E417 S422 V423 E424 | A416-S420 WeakPolarHBondContact O-CB 3.49Å; A416-S420 PolarHBondContact O-N 2.92Å; E417-S420 WeakPolarHBondContact O-CB 3.46Å; E417-S420 PolarHBondContact O-N 3.11Å; E417-S420 VanDerWaalsContact O-N 3.09Å; S420-S422 VanDerWaalsContact C-N 3.28Å; S420-S422 PolarHBondContact O-N 2.97Å; S420-V423 PolarHBondContact O-N 3.35Å; S420-V423 VanDerWaalsContact O-N 3.16Å; S420-E424 WeakPolarHBondContact O-CB 3.47Å; S420-E424 PolarHBondContact O-N 3.3Å |
| 421 | E | 64.3 | Low | 68.3 | Low | 121 Ų | 121 | 101.8 Ų | 101.8 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.1 | -37.8 | 176.1 | -71.3 | -168.3 | 165 | 0 | 0 | 111.9 | E417 E424 Q425 | E417-E421 PolarHBondContact O-N 2.97Å; E421-E424 PolarHBondContact O-N 3.41Å; E421-Q425 WeakPolarHBondContact O-CB 3.29Å; E421-Q425 WeakPolarHBondContact O-CG 3.4Å; E421-Q425 PolarHBondContact O-N 3.2Å |
| 422 | S | 63 | Low | 67 | Low | 67 Ų | 67 | 99.2 Ų | 99.2 | 47% | 0.469 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 174.8 | -64.4 | 0 | 0 | 0 | 0 | 111.7 | M418 N419 S420 V426 | M418-S422 VanDerWaalsContact O-CB 3.27Å; M418-S422 WeakPolarHBondContact O-CB 3.44Å; M418-S422 PolarHBondContact O-N 2.74Å; M418-S422 PolarHBondContact O-OG 2.81Å; N419-S422 PolarHBondContact O-N 3.12Å; S420-S422 VanDerWaalsContact C-N 3.28Å; S420-S422 PolarHBondContact O-N 2.97Å; S422-V426 WeakPolarHBondContact O-CB 3.3Å; S422-V426 WeakPolarHBondContact O-CG2 3.23Å; S422-V426 PolarHBondContact O-N 3.18Å |
| 423 | V | 60.8 | Low | 65.7 | Low | 89 Ų | 89 | 102.3 Ų | 102.3 | 54% | 0.539 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.2 | -42.6 | 175.1 | 169.6 | 0 | 0 | 0 | 0 | 111 | N419 S420 V426 L427 | N419-V423 VanDerWaalsContact O-CG2 3.32Å; N419-V423 WeakPolarHBondContact O-CG2 3.34Å; N419-V423 PolarHBondContact O-N 3.12Å; S420-V423 PolarHBondContact O-N 3.35Å; S420-V423 VanDerWaalsContact O-N 3.16Å; V423-V426 CarbonylContact O-C 3.58Å; V423-V426 PolarHBondContact O-N 2.92Å; V423-L427 HydrophobicContact CG1-CD1 3.91Å; V423-L427 HydrophobicContact CG1-CG 4.42Å; V423-L427 WeakPolarHBondContact O-CG 3.43Å; V423-L427 PolarHBondContact O-N 2.78Å |
| 424 | E | 60.5 | Low | 64.1 | Low | 120 Ų | 120 | 100.9 Ų | 100.9 | 56% | 0.561 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.8 | -40.3 | -179.3 | -163.3 | 170.8 | -143.7 | 0 | 0 | 111.9 | S420 E421 V426 L427 L428 | S420-E424 WeakPolarHBondContact O-CB 3.47Å; S420-E424 PolarHBondContact O-N 3.3Å; E421-E424 PolarHBondContact O-N 3.41Å; E424-V426 VanDerWaalsContact C-N 3.32Å; E424-V426 PolarHBondContact O-N 2.87Å; E424-L427 PolarHBondContact O-N 3.3Å; E424-L428 HydrophobicContact CG-CD1 4.29Å; E424-L428 WeakPolarHBondContact O-CB 3.4Å; E424-L428 PolarHBondContact O-N 3.05Å |
| 425 | Q | 60.2 | Low | 62.5 | Low | 108 Ų | 108 | 104.2 Ų | 104.2 | 51% | 0.505 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.2 | -35.8 | 170.1 | -75.4 | -168.4 | 37.4 | 0 | 0 | 112.6 | E421 K429 | E421-Q425 WeakPolarHBondContact O-CB 3.29Å; E421-Q425 WeakPolarHBondContact O-CG 3.4Å; E421-Q425 PolarHBondContact O-N 3.2Å; Q425-K429 VanDerWaalsContact O-CB 3.31Å; Q425-K429 WeakPolarHBondContact O-CB 3.37Å; Q425-K429 WeakPolarHBondContact O-CG 3.45Å; Q425-K429 PolarHBondContact O-N 2.64Å |
| 426 | V | 59.8 | Low | 61.1 | Low | 75 Ų | 75 | 109.5 Ų | 109.5 | 46% | 0.455 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69.1 | -35.7 | 174.1 | 166.2 | 0 | 0 | 0 | 0 | 111.4 | S422 V423 E424 R430 | S422-V426 WeakPolarHBondContact O-CB 3.3Å; S422-V426 WeakPolarHBondContact O-CG2 3.23Å; S422-V426 PolarHBondContact O-N 3.18Å; V423-V426 CarbonylContact O-C 3.58Å; V423-V426 PolarHBondContact O-N 2.92Å; E424-V426 VanDerWaalsContact C-N 3.32Å; E424-V426 PolarHBondContact O-N 2.87Å; V426-R430 WeakPolarHBondContact O-CB 3.19Å; V426-R430 PolarHBondContact O-N 3.46Å |
| 427 | L | 59.7 | Low | 59.3 | Low | 87 Ų | 87 | 113.3 Ų | 113.3 | 46% | 0.455 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.9 | -44 | 174 | -72 | 168.3 | 0 | 0 | 0 | 111.9 | V423 E424 K429 R430 N431 | V423-L427 HydrophobicContact CG1-CD1 3.91Å; V423-L427 HydrophobicContact CG1-CG 4.42Å; V423-L427 WeakPolarHBondContact O-CG 3.43Å; V423-L427 PolarHBondContact O-N 2.78Å; E424-L427 PolarHBondContact O-N 3.3Å; L427-K429 VanDerWaalsContact C-N 3.34Å; L427-K429 PolarHBondContact O-N 3.07Å; L427-R430 WeakPolarHBondContact O-CB 3.44Å; L427-R430 PolarHBondContact O-N 2.98Å; L427-N431 PolarHBondContact O-N 2.66Å |
| 428 | L | 60.2 | Low | 57.4 | Low | 113 Ų | 113 | 117 Ų | 117 | 59% | 0.592 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -60.7 | -40.1 | 172.7 | -83.3 | 155.7 | 0 | 0 | 0 | 112.2 | E424 R430 S432 | E424-L428 HydrophobicContact CG-CD1 4.29Å; E424-L428 WeakPolarHBondContact O-CB 3.4Å; E424-L428 PolarHBondContact O-N 3.05Å; L428-R430 VanDerWaalsContact C-N 3.34Å; L428-S432 WeakPolarHBondContact O-CB 3.1Å; L428-S432 PolarHBondContact O-N 2.97Å; L428-S432 PolarHBondContact O-OG 3Å |
| 429 | K | 60.7 | Low | 55.6 | Low | 134 Ų | 134 | 117.9 Ų | 117.9 | 58% | 0.583 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69.9 | -24.4 | 172.1 | -78.6 | 173 | 178.4 | 162.1 | 0 | 113.9 | Q425 L427 S432 R433 | Q425-K429 VanDerWaalsContact O-CB 3.31Å; Q425-K429 WeakPolarHBondContact O-CB 3.37Å; Q425-K429 WeakPolarHBondContact O-CG 3.45Å; Q425-K429 PolarHBondContact O-N 2.64Å; L427-K429 VanDerWaalsContact C-N 3.34Å; L427-K429 PolarHBondContact O-N 3.07Å; K429-S432 WeakPolarHBondContact CA-OG 3.48Å; K429-S432 PolarHBondContact O-OG 2.94Å; K429-R433 WeakPolarHBondContact O-CB 3.42Å; K429-R433 PolarHBondContact O-N 3.22Å |
| 430 | R | 55.1 | Low | 53.8 | Low | 167 Ų | 167 | 119.2 Ų | 119.2 | 63% | 0.63 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -77.8 | -44.6 | 171.5 | -91 | -175.4 | 163.1 | 122.1 | -4.6 | 112 | V426 L427 L428 R433 T434 | V426-R430 WeakPolarHBondContact O-CB 3.19Å; V426-R430 PolarHBondContact O-N 3.46Å; L427-R430 WeakPolarHBondContact O-CB 3.44Å; L427-R430 PolarHBondContact O-N 2.98Å; L428-R430 VanDerWaalsContact C-N 3.34Å; R430-R433 PolarHBondContact O-N 2.88Å; R430-R433 VanDerWaalsContact O-N 3.12Å; R430-T434 PolarHBondContact O-N 3.33Å; R430-T434 PolarHBondContact O-OG1 3.39Å |
| 431 | N | 51.5 | Low | 52.3 | Low | 100 Ų | 100 | 122.5 Ų | 122.5 | 54% | 0.535 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.6 | -44.1 | -180 | -67.7 | -5.1 | 0 | 0 | 0 | 110.9 | L427 R433 T434 D435 | L427-N431 PolarHBondContact O-N 2.66Å; N431-R433 PolarHBondContact O-N 3.34Å; N431-T434 WeakPolarHBondContact CA-OG1 3.49Å; N431-T434 PolarHBondContact O-N 3.08Å; N431-T434 VanDerWaalsContact O-N 3.16Å; N431-T434 PolarHBondContact O-OG1 3.5Å; N431-D435 PolarHBondContact O-N 3.25Å |
| 432 | S | 53.1 | Low | 51.1 | Low | 65 Ų | 65 | 123.3 Ų | 123.3 | 46% | 0.455 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -65.8 | -18.5 | 172.6 | 53.3 | 0 | 0 | 0 | 0 | 114.8 | L428 K429 | L428-S432 WeakPolarHBondContact O-CB 3.1Å; L428-S432 PolarHBondContact O-N 2.97Å; L428-S432 PolarHBondContact O-OG 3Å; K429-S432 WeakPolarHBondContact CA-OG 3.48Å; K429-S432 PolarHBondContact O-OG 2.94Å |
| 433 | R | 51.9 | Low | 49.8 | Very low | 188 Ų | 188 | 128.2 Ų | 128.2 | 71% | 0.709 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -85.9 | -29.3 | 171.2 | -98.1 | -178.5 | 163.5 | 173.2 | -5 | 113.8 | K429 R430 N431 Q436 L437 | K429-R433 WeakPolarHBondContact O-CB 3.42Å; K429-R433 PolarHBondContact O-N 3.22Å; R430-R433 PolarHBondContact O-N 2.88Å; R430-R433 VanDerWaalsContact O-N 3.12Å; N431-R433 PolarHBondContact O-N 3.34Å; R433-Q436 PolarHBondContact O-N 3.36Å; R433-L437 PolarHBondContact O-N 2.84Å |
| 434 | T | 49.2 | Very low | 48.7 | Very low | 98 Ų | 98 | 131 Ų | 131 | 60% | 0.601 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -72.6 | -32.6 | 177.7 | 24.6 | 0 | 0 | 0 | 0 | 111.6 | R430 N431 Q436 | R430-T434 PolarHBondContact O-N 3.33Å; R430-T434 PolarHBondContact O-OG1 3.39Å; N431-T434 WeakPolarHBondContact CA-OG1 3.49Å; N431-T434 PolarHBondContact O-N 3.08Å; N431-T434 VanDerWaalsContact O-N 3.16Å; N431-T434 PolarHBondContact O-OG1 3.5Å; T434-Q436 PolarHBondContact O-N 2.91Å |
| 435 | D | 47.6 | Very low | 47.4 | Very low | 150 Ų | 150 | 134.3 Ų | 134.3 | 80% | 0.802 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -7 | 171.3 | -72.1 | -22.8 | 0 | 0 | 0 | 114.3 | N431 | N431-D435 PolarHBondContact O-N 3.25Š|
| 436 | Q | 49.4 | Very low | 46.2 | Very low | 160 Ų | 160 | 138.4 Ų | 138.4 | 75% | 0.748 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | 1 | 178.6 | -71.7 | -169.7 | -2.7 | 0 | 0 | 114.6 | R433 T434 | R433-Q436 PolarHBondContact O-N 3.36Å; T434-Q436 PolarHBondContact O-N 2.91Å |
| 437 | L | 42.9 | Very low | 44.7 | Very low | 140 Ų | 140 | 139.8 Ų | 139.8 | 73% | 0.733 | 71% | 0.708 | S | S | * | * | trans | -126 | 52.6 | -179.9 | -73.3 | 170.1 | 0 | 0 | 0 | 112.5 | R433 | R433-L437 PolarHBondContact O-N 2.84Š| ||
| 438 | L | 38.2 | Very low | 43.4 | Very low | 165 Ų | 165 | 142.3 Ų | 142.3 | 86% | 0.864 | 73% | 0.727 | S | S | * | * | trans | -89.2 | 97.2 | 141.8 | -82.4 | 166.4 | 0 | 0 | 0 | 107.9 | ||||
| 439 | L | 36.9 | Very low | 41.9 | Very low | 148 Ų | 148 | 142.2 Ų | 142.2 | 78% | 0.775 | 73% | 0.731 | S | S | * | * | trans | -177.7 | 142.1 | 153.2 | -98.7 | 159.7 | 0 | 0 | 0 | 109.6 | ||||
| 440 | D | 37 | Very low | 40.3 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | trans | 67.7 | 82.5 | 162.8 | -54.9 | -9.7 | 0 | 0 | 0 | 119.8 | ||||
| 441 | D | 37.1 | Very low | 39.3 | Very low | 143 Ų | 143 | 141.3 Ų | 141.3 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | 42.1 | 140.2 | 111.9 | -68 | -7.2 | 0 | 0 | 0 | 123.6 | |||||
| 442 | N | 37.8 | Very low | 38.4 | Very low | 138 Ų | 138 | 143.9 Ų | 143.9 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | trans | 93.6 | 108.2 | 149.5 | -60.9 | -38.6 | 0 | 0 | 0 | 121.7 | ||||
| 443 | E | 36.1 | Very low | 37.2 | Very low | 170 Ų | 170 | 147 Ų | 147 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | 43.5 | 111.7 | 131.2 | -54.4 | -167.7 | 141.6 | 0 | 0 | 120.6 | ||||
| 444 | T | 36.9 | Very low | 36.1 | Very low | 146 Ų | 146 | 144.3 Ų | 144.3 | 90% | 0.896 | 78% | 0.781 | S | S | * | * | -176.8 | 166.9 | 98.7 | 26.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 445 | K | 34 | Very low | 35 | Very low | 191 Ų | 191 | 143.1 Ų | 143.1 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | trans | -92.3 | 142.7 | -174.2 | -54 | 163.9 | -177.3 | 170.1 | 0 | 110.8 | ||||
| 446 | E | 34.2 | Very low | 34.1 | Very low | 194 Ų | 194 | 142.9 Ų | 142.9 | 91% | 0.907 | 78% | 0.775 | S | S | * | * | 171.2 | 161.2 | 111.2 | -94 | 175.6 | -176.4 | 0 | 0 | 112 | |||||
| 447 | S | 28.7 | Very low | 33.1 | Very low | 104 Ų | 104 | 141.1 Ų | 141.1 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -86.3 | 139 | -174.1 | 52.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 448 | T | 32.6 | Very low | 32.3 | Very low | 139 Ų | 139 | 141.8 Ų | 141.8 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | -170.4 | 162.7 | 127.2 | 23.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 449 | T | 28.1 | Very low | 31.8 | Very low | 112 Ų | 112 | 140.3 Ų | 140.3 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | trans | -61.8 | 178.6 | -169.8 | 46.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 450 | D | 27.9 | Very low | 31.5 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 77% | 0.765 | 76% | 0.755 | S | S | * | * | trans | 87.5 | 84.4 | 156.1 | -50.5 | -43.1 | 0 | 0 | 0 | 118.7 | ||||
| 451 | V | 33.4 | Very low | 31.3 | Very low | 139 Ų | 139 | 134.3 Ų | 134.3 | 84% | 0.842 | 75% | 0.752 | S | S | * | * | trans | -130.9 | 89.8 | 159.2 | -174.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 452 | I | 32.5 | Very low | 31.1 | Very low | 153 Ų | 153 | 132.1 Ų | 132.1 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | trans | 49.2 | 103.6 | 138.2 | -52 | 172.9 | 0 | 0 | 0 | 117.6 | ||||
| 453 | N | 27.9 | Very low | 30.8 | Very low | 131 Ų | 131 | 129 Ų | 129 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | trans | -75.9 | 126.7 | 164.5 | -139.2 | 31.6 | 0 | 0 | 0 | 110.4 | S455 | N453-S455 PolarHBondContact ND2-OG 2.9Å; N453-S455 PolarHBondContact O-N 3.41Å | ||
| 454 | P | 28.9 | Very low | 30.6 | Very low | 132 Ų | 132 | 124.8 Ų | 124.8 | 86% | 0.857 | 71% | 0.712 | S | S | * | * | trans | -84.1 | 57.6 | 168.7 | 35.4 | -33.7 | 0 | 0 | 0 | 110.4 | ||||
| 455 | S | 28 | Very low | 30.6 | Very low | 72 Ų | 72 | 122.1 Ų | 122.1 | 50% | 0.503 | 70% | 0.696 | S | S | . | * | trans | -116.4 | 78.8 | 176.8 | 64.3 | 0 | 0 | 0 | 0 | 109.6 | N453 | N453-S455 PolarHBondContact ND2-OG 2.9Å; N453-S455 PolarHBondContact O-N 3.41Å | ||
| 456 | N | 28.5 | Very low | 30.8 | Very low | 146 Ų | 146 | 118.2 Ų | 118.2 | 78% | 0.781 | 68% | 0.679 | S | S | * | * | trans | -163.4 | 66.8 | 168.9 | -100.8 | -20.6 | 0 | 0 | 0 | 111 | ||||
| 457 | V | 27.2 | Very low | 31.1 | Very low | 123 Ų | 123 | 111.5 Ų | 111.5 | 75% | 0.745 | 65% | 0.649 | S | S | * | * | trans | -124 | 82.1 | 150.3 | 179.9 | 0 | 0 | 0 | 0 | 105.8 | I459 | V457-I459 HydrophobicContact CG1-CD1 3.89Å; V457-I459 HydrophobicContact CG1-CG1 3.89Å; V457-I459 PolarHBondContact O-N 3.08Å | ||
| 458 | N | 26.5 | Very low | 31.7 | Very low | 154 Ų | 154 | 110.2 Ų | 110.2 | 82% | 0.824 | 63% | 0.633 | S | S | * | * | trans | -72.8 | 83 | 166.7 | -89.2 | -5.8 | 0 | 0 | 0 | 107.9 | ||||
| 459 | I | 28.6 | Very low | 32.2 | Very low | 134 Ų | 134 | 108.1 Ų | 108.1 | 69% | 0.687 | 61% | 0.613 | S | S | * | * | trans | -75.4 | 121.6 | 151 | -69.2 | 160.1 | 0 | 0 | 0 | 105.1 | V457 | V457-I459 HydrophobicContact CG1-CD1 3.89Å; V457-I459 HydrophobicContact CG1-CG1 3.89Å; V457-I459 PolarHBondContact O-N 3.08Å | ||
| 460 | S | 29.6 | Very low | 32.6 | Very low | 65 Ų | 65 | 104 Ų | 104 | 46% | 0.455 | 59% | 0.588 | S | S | . | * | trans | -61.6 | 135.8 | -176.9 | 42.4 | 0 | 0 | 0 | 0 | 111.4 | D462 D463 | S460-D462 PolarHBondContact O-N 2.81Å; S460-D463 PolarHBondContact O-N 3.49Å | ||
| 461 | S | 32.6 | Very low | 32.9 | Very low | 92 Ų | 92 | 99.4 Ų | 99.4 | 64% | 0.643 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -7 | 172.1 | 49 | 0 | 0 | 0 | 0 | 114.7 | S464 | S461-S464 PolarHBondContact O-OG 2.93Š|
| 462 | D | 32.5 | Very low | 33.1 | Very low | 96 Ų | 96 | 99.1 Ų | 99.1 | 51% | 0.513 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.4 | -35.6 | 178 | -71.4 | -5.8 | 0 | 0 | 0 | 112.6 | S460 S464 T465 K466 | S460-D462 PolarHBondContact O-N 2.81Å; D462-S464 PolarHBondContact O-N 3.48Å; D462-T465 PolarHBondContact O-N 2.58Å; D462-T465 PolarHBondContact O-OG1 2.74Å; D462-K466 PolarHBondContact O-N 3.19Å |
| 463 | D | 31.9 | Very low | 33.2 | Very low | 74 Ų | 74 | 97.9 Ų | 97.9 | 40% | 0.396 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.6 | -32.6 | -173 | -74.4 | -29.8 | 0 | 0 | 0 | 113.2 | S460 T465 K466 | S460-D463 PolarHBondContact O-N 3.49Å; D463-T465 PolarHBondContact O-N 2.75Å; D463-K466 PolarHBondContact O-N 3.2Å; D463-K466 WeakPolarHBondContact OD1-CD 3.38Å; D463-K466 WeakPolarHBondContact OD1-CE 3.36Å; D463-K466 IonicContact OD1-NZ 3.91Å; D463-K466 PolarHBondContact OD1-NZ 3.32Å |
| 464 | S | 32.2 | Very low | 33.4 | Very low | 80 Ų | 80 | 92.9 Ų | 92.9 | 56% | 0.559 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.3 | -26.1 | 170 | 33.7 | 0 | 0 | 0 | 0 | 113.5 | S461 D462 | S461-S464 PolarHBondContact O-OG 2.93Å; D462-S464 PolarHBondContact O-N 3.48Å |
| 465 | T | 37.4 | Very low | 33.5 | Very low | 90 Ų | 90 | 92.5 Ų | 92.5 | 55% | 0.552 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -86.4 | -21.7 | 179.2 | 67.9 | 0 | 0 | 0 | 0 | 113.5 | D462 D463 L467 | D462-T465 PolarHBondContact O-N 2.58Å; D462-T465 PolarHBondContact O-OG1 2.74Å; D463-T465 PolarHBondContact O-N 2.75Å; T465-L467 VanDerWaalsContact C-N 3.33Å |
| 466 | K | 38.3 | Very low | 33.6 | Very low | 109 Ų | 109 | 94.1 Ų | 94.1 | 47% | 0.474 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71.6 | -26.7 | 177 | -65.5 | 173.9 | -168.3 | 161.4 | 0 | 112.9 | D462 D463 L468 K469 | D462-K466 PolarHBondContact O-N 3.19Å; D463-K466 PolarHBondContact O-N 3.2Å; D463-K466 WeakPolarHBondContact OD1-CD 3.38Å; D463-K466 WeakPolarHBondContact OD1-CE 3.36Å; D463-K466 IonicContact OD1-NZ 3.91Å; D463-K466 PolarHBondContact OD1-NZ 3.32Å; K466-L468 PolarHBondContact O-N 3.36Å; K466-K469 PolarHBondContact O-N 2.85Å |
| 467 | L | 40.2 | Very low | 33.7 | Very low | 54 Ų | 54 | 90.9 Ų | 90.9 | 28% | 0.283 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -12.5 | -178.7 | -67.9 | 168 | 0 | 0 | 0 | 114.2 | I408 T465 K469 | I408-L467 HydrophobicContact CD1-CD1 3.92Å; I408-L467 HydrophobicContact CD1-CD2 3.67Å; I408-L467 HydrophobicContact CD1-CG 4.46Å; T465-L467 VanDerWaalsContact C-N 3.33Å; L467-K469 VanDerWaalsContact C-N 3.26Å; L467-K469 PolarHBondContact O-N 3.04Å |
| 468 | L | 41.1 | Very low | 33.9 | Very low | 76 Ų | 76 | 92 Ų | 92 | 40% | 0.398 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 12.2 | 176.2 | -69.2 | 168.3 | 0 | 0 | 0 | 113.4 | K466 | K466-L468 PolarHBondContact O-N 3.36Š|
| 469 | K | 42 | Very low | 34.1 | Very low | 95 Ų | 95 | 95.3 Ų | 95.3 | 41% | 0.413 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -119.1 | 149.5 | 177.7 | -71.2 | -174.8 | 176.5 | -174.6 | 0 | 112.3 | K466 L467 E473 | K466-K469 PolarHBondContact O-N 2.85Å; L467-K469 VanDerWaalsContact C-N 3.26Å; L467-K469 PolarHBondContact O-N 3.04Å; K469-E473 WeakPolarHBondContact CD-OE2 3.23Å; K469-E473 IonicContact NZ-OE1 3.67Å; K469-E473 PolarHBondContact NZ-OE1 3.45Å; K469-E473 IonicContact NZ-OE2 3.87Å; K469-E473 PolarHBondContact NZ-OE2 3.29Å |
| 470 | P | 36.7 | Very low | 34.2 | Very low | 25 Ų | 25 | 96.4 Ų | 96.4 | 16% | 0.162 | 50% | 0.502 | C | S | . | . | trans | -57 | 153.5 | 171.8 | -24.8 | 35.1 | 0 | 0 | 0 | 113.2 | N472 L517 T519 | P470-N472 PolarHBondContact O-N 2.68Å; P470-L517 HydrophobicContact CB-CB 4.11Å; P470-L517 HydrophobicContact CB-CD1 3.84Å; P470-L517 HydrophobicContact CG-CB 4.21Å; P470-T519 HydrophobicContact CG-CG2 3.83Å | ||
| 471 | M | 35.8 | Very low | 34.3 | Very low | 48 Ų | 48 | 103.2 Ų | 103.2 | 24% | 0.236 | 53% | 0.527 | C | S | . | . | G | 310 helix | trans | -70.8 | -3.6 | -158.7 | -148.4 | -176.5 | -168.9 | 0 | 0 | 115.5 | E397 E473 I474 L475 | E397-M471 WeakPolarHBondContact OE1-CB 3.42Å; E397-M471 PolarHBondContact OE1-N 2.93Å; M471-E473 PolarHBondContact O-N 3.07Å; M471-I474 HydrophobicContact CG-CB 4.13Å; M471-I474 PolarHBondContact O-N 3.1Å; M471-L475 HydrophobicContact CG-CD1 4.13Å; M471-L475 PolarHBondContact O-N 3.2Å; M471-L475 HydrophobicContact SD-CD1 4.1Å |
| 472 | N | 37.4 | Very low | 34.1 | Very low | 132 Ų | 132 | 101.6 Ų | 101.6 | 71% | 0.706 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -61.7 | -21.5 | 179.2 | -77.1 | -13 | 0 | 0 | 0 | 114.3 | P470 | P470-N472 PolarHBondContact O-N 2.68Š|
| 473 | E | 33.3 | Very low | 34 | Very low | 127 Ų | 127 | 105 Ų | 105 | 59% | 0.593 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -89.3 | -8.9 | 172.4 | -72.8 | -175.9 | -171.8 | 0 | 0 | 113.5 | K469 M471 | K469-E473 WeakPolarHBondContact CD-OE2 3.23Å; K469-E473 IonicContact NZ-OE1 3.67Å; K469-E473 PolarHBondContact NZ-OE1 3.45Å; K469-E473 IonicContact NZ-OE2 3.87Å; K469-E473 PolarHBondContact NZ-OE2 3.29Å; M471-E473 PolarHBondContact O-N 3.07Å |
| 474 | I | 33 | Very low | 33.9 | Very low | 27 Ų | 27 | 109.2 Ų | 109.2 | 14% | 0.138 | 57% | 0.565 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -103.6 | -23.8 | -169.4 | -62.1 | 176.9 | 0 | 0 | 0 | 112.8 | M471 D476 S477 Y478 | M471-I474 HydrophobicContact CG-CB 4.13Å; M471-I474 PolarHBondContact O-N 3.1Å; I474-D476 PolarHBondContact O-N 2.7Å; I474-S477 PolarHBondContact O-N 2.96Å; I474-S477 PolarHBondContact O-OG 2.95Å; I474-Y478 HydrophobicContact CG2-CD2 4.1Å; I474-Y478 HydrophobicContact CG2-CE2 3.89Å |
| 475 | L | 30.4 | Very low | 33.8 | Very low | 123 Ų | 123 | 110.7 Ų | 110.7 | 64% | 0.644 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -16.8 | -173 | -113 | 88.3 | 0 | 0 | 0 | 115.7 | M471 S477 | M471-L475 HydrophobicContact CG-CD1 4.13Å; M471-L475 PolarHBondContact O-N 3.2Å; M471-L475 HydrophobicContact SD-CD1 4.1Å; L475-S477 VanDerWaalsContact C-N 3.33Å |
| 476 | D | 30.9 | Very low | 33.4 | Very low | 106 Ų | 106 | 114.5 Ų | 114.5 | 57% | 0.567 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -7.7 | 177.6 | -67.3 | -26.5 | 0 | 0 | 0 | 113.7 | I474 F494 | I474-D476 PolarHBondContact O-N 2.7Å; D476-F494 HydrophobicContact CB-CE2 4.18Å; D476-F494 HydrophobicContact CB-CZ 4.33Å; D476-F494 WeakPolarHBondContact OD1-CE2 3.21Å; D476-F494 VanDerWaalsContact OD1-CZ 3.23Å; D476-F494 WeakPolarHBondContact OD1-CZ 3.38Å; D476-F494 WeakPolarHBondContact OD2-CE2 3.47Å |
| 477 | S | 29.3 | Very low | 33 | Very low | 79 Ų | 79 | 116 Ų | 116 | 55% | 0.552 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -99.1 | -6.2 | -174.7 | 63.6 | 0 | 0 | 0 | 0 | 115.6 | I474 L475 | I474-S477 PolarHBondContact O-N 2.96Å; I474-S477 PolarHBondContact O-OG 2.95Å; L475-S477 VanDerWaalsContact C-N 3.33Å |
| 478 | Y | 31.6 | Very low | 32.6 | Very low | 147 Ų | 147 | 119.3 Ų | 119.3 | 58% | 0.576 | 62% | 0.622 | S | S | * | * | trans | -121 | 58.9 | -173.6 | -73.3 | -76.1 | 0 | 0 | 0 | 114 | H404 I474 | H404-Y478 AromaticContact NE2-CE2 3.96Å; H404-Y478 AromaticContact NE2-CZ 3.95Å; I474-Y478 HydrophobicContact CG2-CD2 4.1Å; I474-Y478 HydrophobicContact CG2-CE2 3.89Å | ||
| 479 | R | 30.5 | Very low | 31.8 | Very low | 223 Ų | 223 | 119.5 Ų | 119.5 | 84% | 0.842 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -139.4 | 139.5 | 151.9 | -67.6 | -168.7 | 178.9 | -165 | -3.4 | 108.9 | ||
| 480 | D | 32 | Very low | 31.3 | Very low | 156 Ų | 156 | 124.2 Ų | 124.2 | 83% | 0.834 | 67% | 0.666 | S | S | * | * | trans | 65.3 | 77.2 | 179.7 | -59 | -17.5 | 0 | 0 | 0 | 118 | ||||
| 481 | E | 30.5 | Very low | 30.8 | Very low | 209 Ų | 209 | 133.2 Ų | 133.2 | 98% | 0.977 | 70% | 0.702 | S | S | * | * | trans | -92.4 | 89.6 | 135.2 | -76.7 | -164.1 | 158.7 | 0 | 0 | 107.7 | ||||
| 482 | G | 28.6 | Very low | 30.4 | Very low | 58 Ų | 58 | 137 Ų | 137 | 60% | 0.598 | 73% | 0.728 | S | S | * | * | trans | -156 | -3.8 | -164.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 483 | D | 30.9 | Very low | 29.9 | Very low | 166 Ų | 166 | 136.8 Ų | 136.8 | 89% | 0.888 | 73% | 0.732 | S | S | * | * | trans | -173.3 | 151.6 | 149.3 | -114.6 | -31.4 | 0 | 0 | 0 | 113.5 | ||||
| 484 | N | 28.9 | Very low | 29.6 | Very low | 163 Ų | 163 | 137.6 Ų | 137.6 | 87% | 0.872 | 73% | 0.733 | S | S | * | * | trans | -81.8 | 115.7 | 177.9 | -77 | -76.6 | 0 | 0 | 0 | 112.1 | ||||
| 485 | S | 31.7 | Very low | 29.3 | Very low | 112 Ų | 112 | 143.5 Ų | 143.5 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | -174.6 | 98.4 | 140.3 | 178.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 486 | M | 27.8 | Very low | 29.2 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 83% | 0.833 | 76% | 0.759 | S | S | * | * | 47.8 | 129.5 | 126.7 | -134 | 178.6 | 176.4 | 0 | 0 | 121.6 | |||||
| 487 | M | 31 | Very low | 29.1 | Very low | 142 Ų | 142 | 146 Ų | 146 | 70% | 0.7 | 77% | 0.767 | S | S | * | * | trans | 107.1 | 89.3 | 153.8 | -56.4 | -60.9 | -73.5 | 0 | 0 | 119.4 | ||||
| 488 | T | 30.1 | Very low | 28.9 | Very low | 122 Ų | 122 | 146 Ų | 146 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | 52.6 | 90 | 129.7 | 60.7 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 489 | G | 25.9 | Very low | 28.7 | Very low | 80 Ų | 80 | 146.7 Ų | 146.7 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | 69.9 | 107.9 | 113 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 490 | E | 30.1 | Very low | 28.5 | Very low | 194 Ų | 194 | 142.1 Ų | 142.1 | 91% | 0.907 | 78% | 0.776 | S | S | * | * | trans | -153.2 | 153.2 | 138.2 | -121.3 | 171.3 | -170.9 | 0 | 0 | 110.5 | ||||
| 491 | K | 26.5 | Very low | 28.3 | Very low | 214 Ų | 214 | 139 Ų | 139 | 93% | 0.93 | 78% | 0.78 | S | S | * | * | trans | -78.4 | 128.4 | -177 | -66.9 | 177.3 | 176.7 | -178.9 | 0 | 110.2 | ||||
| 492 | V | 28.2 | Very low | 28 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | -118.8 | 129.4 | 173.8 | -178.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 493 | T | 26.9 | Very low | 28.2 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | trans | -76 | 131.8 | 173.3 | 44.8 | 0 | 0 | 0 | 0 | 110.6 | D495 | T493-D495 PolarHBondContact O-N 3.24Š| ||
| 494 | F | 26.5 | Very low | 28.5 | Very low | 144 Ų | 144 | 128.9 Ų | 128.9 | 63% | 0.632 | 73% | 0.73 | S | S | * | * | trans | -78.8 | 98.9 | 171.7 | -83.3 | -82.8 | 0 | 0 | 0 | 111.3 | D476 | D476-F494 HydrophobicContact CB-CE2 4.18Å; D476-F494 HydrophobicContact CB-CZ 4.33Å; D476-F494 WeakPolarHBondContact OD1-CE2 3.21Å; D476-F494 VanDerWaalsContact OD1-CZ 3.23Å; D476-F494 WeakPolarHBondContact OD1-CZ 3.38Å; D476-F494 WeakPolarHBondContact OD2-CE2 3.47Å | ||
| 495 | D | 27.6 | Very low | 29.4 | Very low | 151 Ų | 151 | 122.9 Ų | 122.9 | 81% | 0.807 | 70% | 0.697 | S | S | * | * | trans | -134.6 | 147.1 | 154.8 | -114.8 | -35 | 0 | 0 | 0 | 108.7 | T493 | T493-D495 PolarHBondContact O-N 3.24Š| ||
| 496 | E | 28.2 | Very low | 30.4 | Very low | 110 Ų | 110 | 123.5 Ų | 123.5 | 51% | 0.514 | 69% | 0.691 | S | S | . | * | trans | 66.3 | 105.1 | 178.9 | -55.3 | -172.3 | 143.9 | 0 | 0 | 117.7 | K906 | E496-K906 IonicContact OE1-NZ 2.69Å; E496-K906 PolarHBondContact OE1-NZ 3.4Å; E496-K906 WeakPolarHBondContact OE2-CE 3.44Å; E496-K906 IonicContact OE2-NZ 2.67Å; E496-K906 PolarHBondContact OE2-NZ 2.98Å | ||
| 497 | K | 27.2 | Very low | 32 | Very low | 171 Ų | 171 | 120.2 Ų | 120.2 | 74% | 0.743 | 68% | 0.677 | S | S | * | * | trans | -104.1 | 143.1 | 150 | -87.1 | 174.2 | 178.9 | 157.2 | 0 | 109.3 | ||||
| 498 | P | 26.8 | Very low | 33.7 | Very low | 81 Ų | 81 | 116 Ų | 116 | 53% | 0.526 | 66% | 0.657 | S | S | . | * | trans | -76.1 | 154.2 | -164.6 | 28.6 | -36.1 | 0 | 0 | 0 | 114.6 | V500 | P498-V500 PolarHBondContact O-N 2.66Š| ||
| 499 | N | 26.2 | Very low | 36.1 | Very low | 160 Ų | 160 | 111.1 Ų | 111.1 | 86% | 0.856 | 63% | 0.626 | S | S | * | * | trans | -60 | 98.4 | 174 | -91.9 | -39.9 | 0 | 0 | 0 | 112.3 | ||||
| 500 | V | 27.5 | Very low | 38.5 | Very low | 127 Ų | 127 | 113.2 Ų | 113.2 | 77% | 0.77 | 62% | 0.615 | S | S | * | * | trans | -136.8 | 98.1 | 166.7 | -175.9 | 0 | 0 | 0 | 0 | 110.5 | P498 G502 | P498-V500 PolarHBondContact O-N 2.66Å; V500-G502 PolarHBondContact O-N 2.77Å | ||
| 501 | G | 26.2 | Very low | 40.9 | Very low | 90 Ų | 90 | 106.5 Ų | 106.5 | 93% | 0.928 | 58% | 0.581 | S | S | * | * | S | Bend | trans | 57 | -9.4 | 148 | 0 | 0 | 0 | 0 | 0 | 121 | ||
| 502 | G | 25.3 | Very low | 43.7 | Very low | 49 Ų | 49 | 96.8 Ų | 96.8 | 51% | 0.505 | 54% | 0.539 | S | S | . | . | trans | -75.9 | 145.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V500 N504 | V500-G502 PolarHBondContact O-N 2.77Å; G502-N504 PolarHBondContact O-N 3.38Å | ||
| 503 | I | 32.8 | Very low | 46.3 | Very low | 81 Ų | 81 | 91.1 Ų | 91.1 | 42% | 0.415 | 51% | 0.505 | S | S | . | . | trans | -64.5 | 103.6 | 166.8 | -61.1 | 168.4 | 0 | 0 | 0 | 106.4 | E505 Q648 | I503-E505 HydrophobicContact CG2-CG 4.03Å; I503-E505 PolarHBondContact O-N 2.95Å; I503-Q648 HydrophobicContact CD1-CB 4.07Å | ||
| 504 | N | 37.8 | Very low | 48.9 | Very low | 92 Ų | 92 | 87.9 Ų | 87.9 | 49% | 0.492 | 48% | 0.482 | S | S | . | . | trans | -66.8 | 80.7 | 174.1 | -77.8 | -4.5 | 0 | 0 | 0 | 109.4 | G502 L506 N507 | G502-N504 PolarHBondContact O-N 3.38Å; N504-L506 PolarHBondContact O-N 3.24Å; N504-L506 VanDerWaalsContact O-N 3.12Å; N504-N507 HydrophobicContact CB-CB 4.21Å; N504-N507 PolarHBondContact O-N 2.94Å | ||
| 505 | E | 47.9 | Very low | 51.5 | Low | 37 Ų | 37 | 82.9 Ų | 82.9 | 17% | 0.173 | 47% | 0.465 | C | S | . | . | G | 310 helix | trans | -58.6 | -26.2 | 179.9 | -63.1 | -165.3 | 155.9 | 0 | 0 | 111.9 | I503 P650 | I503-E505 HydrophobicContact CG2-CG 4.03Å; I503-E505 PolarHBondContact O-N 2.95Å; E505-P650 VanDerWaalsContact OE1-CA 3.29Å; E505-P650 WeakPolarHBondContact OE1-CA 3.27Å; E505-P650 VanDerWaalsContact OE1-CB 3.23Å; E505-P650 WeakPolarHBondContact OE1-CB 3.47Å |
| 506 | L | 52.6 | Low | 53.8 | Low | 125 Ų | 125 | 78.7 Ų | 78.7 | 65% | 0.654 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -66.7 | -34.1 | 175.5 | -69.8 | 157.9 | 0 | 0 | 0 | 114 | N504 D508 L509 | N504-L506 PolarHBondContact O-N 3.24Å; N504-L506 VanDerWaalsContact O-N 3.12Å; L506-D508 PolarHBondContact O-N 3.28Å; L506-D508 VanDerWaalsContact O-N 3.13Å; L506-L509 PolarHBondContact O-N 3.05Å |
| 507 | N | 60.8 | Low | 56.2 | Low | 99 Ų | 99 | 74.7 Ų | 74.7 | 53% | 0.529 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -67.2 | -17 | -176.4 | -78.6 | 20.7 | 0 | 0 | 0 | 113.2 | K371 N504 | K371-N507 PolarHBondContact NZ-O 3.4Å; N504-N507 HydrophobicContact CB-CB 4.21Å; N504-N507 PolarHBondContact O-N 2.94Å |
| 508 | D | 66.9 | Low | 58.7 | Low | 55 Ų | 55 | 68.2 Ų | 68.2 | 29% | 0.294 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -84 | -15.7 | 173.4 | -76.1 | -21.6 | 0 | 0 | 0 | 113 | H383 K385 L506 | H383-D508 PolarHBondContact NE2-O 2.75Å; K385-D508 IonicContact NZ-OD2 3.67Å; K385-D508 PolarHBondContact NZ-OD2 2.72Å; L506-D508 PolarHBondContact O-N 3.28Å; L506-D508 VanDerWaalsContact O-N 3.13Å |
| 509 | L | 79.1 | Confident | 61.3 | Low | 18 Ų | 18 | 69 Ų | 69 | 9% | 0.094 | 41% | 0.407 | C | S | . | . | trans | -98 | 3.8 | -173.1 | -59.5 | 174.4 | 0 | 0 | 0 | 114.2 | Y389 L506 Y511 Y512 | Y389-L509 HydrophobicContact CD1-CD1 3.58Å; Y389-L509 HydrophobicContact CE1-CD1 3.53Å; Y389-L509 HydrophobicContact CG-CD1 4.34Å; L506-L509 PolarHBondContact O-N 3.05Å; L509-Y511 PolarHBondContact O-N 3.01Å; L509-Y512 HydrophobicContact CD2-CD1 4.41Å; L509-Y512 HydrophobicContact CD2-CG 4.04Å; L509-Y512 WeakPolarHBondContact O-CB 3.07Å; L509-Y512 PolarHBondContact O-N 3.05Å | ||
| 510 | E | 76.7 | Confident | 64 | Low | 125 Ų | 125 | 61.7 Ų | 61.7 | 58% | 0.584 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48 | -37.2 | -175.2 | -171.4 | -171.7 | 163.8 | 0 | 0 | 114.9 | ||
| 511 | Y | 81.6 | Confident | 66.4 | Low | 53 Ų | 53 | 61.7 Ų | 61.7 | 21% | 0.208 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | 12 | 178.1 | -56.4 | -82.8 | 0 | 0 | 0 | 112.6 | K371 C374 K375 H380 H381 L509 | K371-Y511 HydrophobicContact CB-CD2 4.35Å; K371-Y511 HydrophobicContact CB-CE2 4.2Å; K371-Y511 HydrophobicContact CG-CD2 4.16Å; K371-Y511 HydrophobicContact CG-CE2 4.35Å; C374-Y511 HydrophobicContact CB-CD1 3.87Å; C374-Y511 HydrophobicContact CB-CD2 4.32Å; C374-Y511 HydrophobicContact CB-CG 3.76Å; K375-Y511 HydrophobicContact CB-CE1 4.09Å; H380-Y511 WeakPolarHBondContact CA-O 3.35Å; H381-Y511 PolarHBondContact N-O 3.46Å; L509-Y511 PolarHBondContact O-N 3.01Å |
| 512 | Y | 84.7 | Confident | 68.9 | Low | 10 Ų | 10 | 59.3 Ų | 59.3 | 4% | 0.039 | 33% | 0.332 | C | S | . | . | trans | -88.3 | 118.2 | -179.4 | -167.7 | -79.3 | 0 | 0 | 0 | 109.4 | H381 I382 H383 L387 E390 L509 L514 K562 | H381-Y512 WeakPolarHBondContact O-CD2 3.47Å; I382-Y512 HydrophobicContact CD1-CD2 4.49Å; I382-Y512 HydrophobicContact CD1-CE2 4.12Å; H383-Y512 AromaticContact CD2-CD2 3.78Å; H383-Y512 AromaticContact NE2-CD2 3.66Å; L387-Y512 WeakPolarHBondContact CA-OH 3.48Å; L387-Y512 PolarHBondContact N-OH 3.13Å; E390-Y512 HydrophobicContact CB-CE1 4.32Å; E390-Y512 WeakPolarHBondContact OE2-CE1 3.37Å; E390-Y512 PolarHBondContact OE2-OH 3.42Å; L509-Y512 HydrophobicContact CD2-CD1 4.41Å; L509-Y512 HydrophobicContact CD2-CG 4.04Å; L509-Y512 WeakPolarHBondContact O-CB 3.07Å; L509-Y512 PolarHBondContact O-N 3.05Å; Y512-L514 VanDerWaalsContact C-N 3.35Å; Y512-L514 HydrophobicContact CD1-CD2 3.89Å; Y512-L514 HydrophobicContact CD1-CG 4.18Å; Y512-L514 HydrophobicContact CE1-CD2 4.24Å; Y512-L514 PolarHBondContact O-N 2.75Å; Y512-K562 WeakPolarHBondContact OH-CE 3.32Å | ||
| 513 | P | 82.3 | Confident | 71.7 | Confident | 8 Ų | 8 | 59.2 Ų | 59.2 | 5% | 0.052 | 32% | 0.319 | C | S | . | . | trans | -77.1 | 82 | -173.4 | 31.7 | -36.2 | 0 | 0 | 0 | 110.5 | H380 I382 S515 K562 P567 | H380-P513 HydrophobicContact CB-CG 3.77Å; I382-P513 HydrophobicContact CD1-CG 3.92Å; P513-S515 PolarHBondContact O-N 2.77Å; P513-K562 WeakPolarHBondContact O-CE 3.18Å; P513-K562 PolarHBondContact O-NZ 2.73Å; P513-P567 HydrophobicContact CB-CB 3.82Å; P513-P567 HydrophobicContact CB-CG 4.3Å; P513-P567 HydrophobicContact CG-CB 4.16Å | ||
| 514 | L | 83.1 | Confident | 74.3 | Confident | 60 Ų | 60 | 61.1 Ų | 61.1 | 31% | 0.314 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 129.4 | 178.8 | -69.3 | 168.3 | 0 | 0 | 0 | 110.7 | E390 Y512 | E390-L514 HydrophobicContact CB-CD2 3.95Å; E390-L514 HydrophobicContact CG-CD2 4.12Å; Y512-L514 VanDerWaalsContact C-N 3.35Å; Y512-L514 HydrophobicContact CD1-CD2 3.89Å; Y512-L514 HydrophobicContact CD1-CG 4.18Å; Y512-L514 HydrophobicContact CE1-CD2 4.24Å; Y512-L514 PolarHBondContact O-N 2.75Å |
| 515 | S | 80.3 | Confident | 76.6 | Confident | 38 Ų | 38 | 60.7 Ų | 60.7 | 27% | 0.266 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 153.1 | 167.4 | 50 | 0 | 0 | 0 | 0 | 110.8 | E390 R393 N394 P513 | E390-S515 WeakPolarHBondContact OE1-CB 3.28Å; E390-S515 PolarHBondContact OE1-N 2.89Å; E390-S515 PolarHBondContact OE1-OG 3.36Å; R393-S515 PolarHBondContact NH2-O 3.47Å; N394-S515 PolarHBondContact ND2-OG 3.07Å; P513-S515 PolarHBondContact O-N 2.77Å |
| 516 | P | 75.4 | Confident | 78.5 | Confident | 64 Ų | 64 | 59.1 Ų | 59.1 | 42% | 0.416 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -52.2 | 148.7 | 164.6 | -21.8 | 32.6 | 0 | 0 | 0 | 110.7 | N285 V287 | N285-P516 HydrophobicContact CB-CG 4.1Å; N285-P516 VanDerWaalsContact O-CG 3.26Å; N285-P516 WeakPolarHBondContact O-CG 3.49Å; V287-P516 HydrophobicContact CG2-CG 4.07Å |
| 517 | L | 78.8 | Confident | 80.2 | Confident | 26 Ų | 26 | 56.9 Ų | 56.9 | 14% | 0.136 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 147.9 | 169.3 | -69.4 | 169.4 | 0 | 0 | 0 | 109.4 | R393 E397 P470 | R393-L517 HydrophobicContact CG-CD2 4.11Å; E397-L517 HydrophobicContact CB-CD2 4.25Å; E397-L517 HydrophobicContact CG-CD1 4.25Å; E397-L517 HydrophobicContact CG-CD2 4.15Å; P470-L517 HydrophobicContact CB-CB 4.11Å; P470-L517 HydrophobicContact CB-CD1 3.84Å; P470-L517 HydrophobicContact CG-CB 4.21Å |
| 518 | P | 80.8 | Confident | 81.6 | Confident | 34 Ų | 34 | 58.9 Ų | 58.9 | 22% | 0.221 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 146.5 | 168.4 | -24.4 | 34.9 | 0 | 0 | 0 | 111.2 | N394 P398 W520 L529 | N394-P518 HydrophobicContact CB-CG 4.24Å; P398-P518 HydrophobicContact CG-CB 4.13Å; P398-P518 HydrophobicContact CG-CG 4.32Å; P518-W520 WeakPolarHBondContact O-CZ3 3.21Å; P518-L529 HydrophobicContact CB-CD2 3.9Å |
| 519 | T | 80.1 | Confident | 82.7 | Confident | 99 Ų | 99 | 58.2 Ų | 58.2 | 61% | 0.607 | 31% | 0.308 | S | S | * | . | trans | -129.3 | 157.6 | 178.8 | 49.2 | 0 | 0 | 0 | 0 | 109.6 | P470 | P470-T519 HydrophobicContact CG-CG2 3.83Š| ||
| 520 | W | 82.6 | Confident | 83.1 | Confident | 6 Ų | 6 | 57.4 Ų | 57.4 | 2% | 0.023 | 30% | 0.304 | C | S | . | . | trans | -143.7 | 137.3 | -176.1 | 47.6 | 88.6 | 0 | 0 | 0 | 108.7 | P398 A401 P518 E525 L526 L529 | P398-W520 HydrophobicContact CB-CZ3 4.31Å; P398-W520 HydrophobicContact CG-CZ3 4.21Å; A401-W520 HydrophobicContact CB-CH2 3.62Å; A401-W520 HydrophobicContact CB-CZ2 3.39Å; P518-W520 WeakPolarHBondContact O-CZ3 3.21Å; W520-E525 HydrophobicContact CB-CB 4.25Å; W520-L526 HydrophobicContact CB-CB 4.14Å; W520-L526 HydrophobicContact CD2-CB 4.43Å; W520-L526 HydrophobicContact CD2-CD1 3.74Å; W520-L526 HydrophobicContact CD2-CG 4.5Å; W520-L526 HydrophobicContact CE3-CD1 3.97Å; W520-L526 HydrophobicContact CG-CB 3.89Å; W520-L526 HydrophobicContact CG-CD1 4.13Å; W520-L526 HydrophobicContact CG-CG 4.44Å; W520-L526 HydrophobicContact CZ2-CD1 4.32Å; W520-L526 HydrophobicContact CZ3-CD1 4.35Å; W520-L529 HydrophobicContact CE3-CD2 3.95Å | ||
| 521 | N | 78 | Confident | 83.8 | Confident | 127 Ų | 127 | 55.7 Ų | 55.7 | 68% | 0.679 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -99 | -16.8 | -177.3 | -50.7 | -81.4 | 0 | 0 | 0 | 112.6 | E525 | N521-E525 WeakPolarHBondContact CB-OE2 3.46Å; N521-E525 PolarHBondContact N-OE2 3.18Å; N521-E525 PolarHBondContact ND2-OE2 2.78Å |
| 522 | S | 80.1 | Confident | 84.2 | Confident | 39 Ų | 39 | 55.8 Ų | 55.8 | 27% | 0.273 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -139.1 | 165.1 | 179.6 | 62.3 | 0 | 0 | 0 | 0 | 110.5 | E525 L526 | S522-E525 WeakPolarHBondContact OG-CB 3.36Å; S522-E525 VanDerWaalsContact OG-CG 3.26Å; S522-E525 WeakPolarHBondContact OG-CG 3.14Å; S522-E525 PolarHBondContact OG-N 3.15Å; S522-E525 PolarHBondContact OG-OE1 2.89Å; S522-E525 VanDerWaalsContact OG-OE1 3.1Å; S522-L526 PolarHBondContact O-N 3.02Å |
| 523 | E | 84.4 | Confident | 84.5 | Confident | 48 Ų | 48 | 55.5 Ų | 55.5 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.7 | -36.5 | 175.7 | -161.5 | -171.5 | 126.8 | 0 | 0 | 112.1 | L405 R409 E525 L526 E527 | L405-E523 HydrophobicContact CD1-CG 3.7Å; L405-E523 HydrophobicContact CD2-CG 4.07Å; L405-E523 WeakPolarHBondContact CD2-OE1 3.34Å; R409-E523 VanDerWaalsContact CZ-CD 3.41Å; R409-E523 IonicContact CZ-OE1 3.08Å; R409-E523 IonicContact CZ-OE2 2.65Å; R409-E523 IonicContact NE-OE1 3.75Å; R409-E523 IonicContact NE-OE2 2.84Å; R409-E523 IonicContact NH1-OE1 2.81Å; R409-E523 PolarHBondContact NH1-OE1 3.08Å; R409-E523 IonicContact NH1-OE2 3.82Å; R409-E523 IonicContact NH2-OE1 2.8Å; R409-E523 PolarHBondContact NH2-OE1 3.46Å; R409-E523 IonicContact NH2-OE2 3.86Å; R409-E523 PolarHBondContact NH2-OE2 3.11Å; E523-E525 VanDerWaalsContact C-N 3.3Å; E523-E525 PolarHBondContact O-N 3.03Å; E523-L526 CarbonylContact O-C 3.58Å; E523-L526 WeakPolarHBondContact O-CA 2.95Å; E523-L526 WeakPolarHBondContact O-CB 3.33Å; E523-L526 PolarHBondContact O-N 3.07Å; E523-E527 PolarHBondContact O-N 3.37Å |
| 524 | D | 86.6 | Confident | 84.8 | Confident | 121 Ų | 121 | 59.3 Ų | 59.3 | 65% | 0.647 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61.9 | -39.3 | 176 | -56.9 | -18.5 | 0 | 0 | 0 | 111.1 | E527 M528 | D524-E527 PolarHBondContact O-N 3.5Å; D524-M528 WeakPolarHBondContact O-CB 3.43Å; D524-M528 WeakPolarHBondContact O-CG 3.44Å; D524-M528 PolarHBondContact O-N 3.2Å |
| 525 | E | 85.7 | Confident | 85.2 | Confident | 83 Ų | 83 | 61.8 Ų | 61.8 | 39% | 0.388 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 170.8 | -82.1 | 166.3 | -129.9 | 0 | 0 | 112 | W520 N521 S522 E523 L529 | W520-E525 HydrophobicContact CB-CB 4.25Å; N521-E525 WeakPolarHBondContact CB-OE2 3.46Å; N521-E525 PolarHBondContact N-OE2 3.18Å; N521-E525 PolarHBondContact ND2-OE2 2.78Å; S522-E525 WeakPolarHBondContact OG-CB 3.36Å; S522-E525 VanDerWaalsContact OG-CG 3.26Å; S522-E525 WeakPolarHBondContact OG-CG 3.14Å; S522-E525 PolarHBondContact OG-N 3.15Å; S522-E525 PolarHBondContact OG-OE1 2.89Å; S522-E525 VanDerWaalsContact OG-OE1 3.1Å; E523-E525 VanDerWaalsContact C-N 3.3Å; E523-E525 PolarHBondContact O-N 3.03Å; E525-L529 WeakPolarHBondContact O-CB 3.35Å; E525-L529 PolarHBondContact O-N 3.37Å |
| 526 | L | 88.2 | Confident | 85.6 | Confident | 3 Ų | 3 | 64.5 Ų | 64.5 | 2% | 0.016 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.2 | -46.1 | 176.7 | 175.3 | 59.7 | 0 | 0 | 0 | 111.1 | P398 A401 Y402 L405 W520 S522 E523 L529 V530 | P398-L526 HydrophobicContact CB-CD1 4.02Å; A401-L526 HydrophobicContact CB-CD1 4.24Å; A401-L526 HydrophobicContact CB-CD2 4.33Å; Y402-L526 HydrophobicContact CD2-CD2 4.19Å; Y402-L526 HydrophobicContact CD2-CG 4.1Å; L405-L526 HydrophobicContact CD1-CD2 4.45Å; W520-L526 HydrophobicContact CB-CB 4.14Å; W520-L526 HydrophobicContact CD2-CB 4.43Å; W520-L526 HydrophobicContact CD2-CD1 3.74Å; W520-L526 HydrophobicContact CD2-CG 4.5Å; W520-L526 HydrophobicContact CE3-CD1 3.97Å; W520-L526 HydrophobicContact CG-CB 3.89Å; W520-L526 HydrophobicContact CG-CD1 4.13Å; W520-L526 HydrophobicContact CG-CG 4.44Å; W520-L526 HydrophobicContact CZ2-CD1 4.32Å; W520-L526 HydrophobicContact CZ3-CD1 4.35Å; S522-L526 PolarHBondContact O-N 3.02Å; E523-L526 CarbonylContact O-C 3.58Å; E523-L526 WeakPolarHBondContact O-CA 2.95Å; E523-L526 WeakPolarHBondContact O-CB 3.33Å; E523-L526 PolarHBondContact O-N 3.07Å; L526-L529 PolarHBondContact O-N 2.84Å; L526-V530 HydrophobicContact CD1-CG2 3.9Å; L526-V530 HydrophobicContact CG-CG2 4.26Å; L526-V530 WeakPolarHBondContact O-CB 3.47Å; L526-V530 WeakPolarHBondContact O-CG2 3.23Å; L526-V530 PolarHBondContact O-N 3.03Å |
| 527 | E | 88.5 | Confident | 86.1 | Confident | 78 Ų | 78 | 62.4 Ų | 62.4 | 36% | 0.364 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 178 | -175.5 | 169.2 | 170.1 | 0 | 0 | 111.8 | Y402 E523 D524 L529 V530 N531 | Y402-E527 HydrophobicContact CE2-CB 3.81Å; Y402-E527 HydrophobicContact CE2-CG 4.09Å; Y402-E527 PolarHBondContact OH-OE2 3.25Å; Y402-E527 VanDerWaalsContact OH-OE2 3.06Å; E523-E527 PolarHBondContact O-N 3.37Å; D524-E527 PolarHBondContact O-N 3.5Å; E527-L529 PolarHBondContact O-N 3.38Å; E527-V530 PolarHBondContact O-N 2.97Å; E527-N531 PolarHBondContact O-N 3.22Å; E527-N531 VanDerWaalsContact O-N 3.08Å; E527-N531 PolarHBondContact O-ND2 3.38Å |
| 528 | M | 89.9 | Confident | 86.5 | Confident | 142 Ų | 142 | 66.1 Ų | 66.1 | 70% | 0.7 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -59.4 | -45.7 | 172.8 | -77.7 | -175.1 | 58.3 | 0 | 0 | 112.2 | D524 V530 N531 D532 | D524-M528 WeakPolarHBondContact O-CB 3.43Å; D524-M528 WeakPolarHBondContact O-CG 3.44Å; D524-M528 PolarHBondContact O-N 3.2Å; M528-V530 VanDerWaalsContact C-N 3.35Å; M528-V530 PolarHBondContact O-N 3.34Å; M528-N531 PolarHBondContact O-N 3.32Å; M528-D532 PolarHBondContact O-N 3.14Å |
| 529 | L | 89.2 | Confident | 86.8 | Confident | 40 Ų | 40 | 67.7 Ų | 67.7 | 21% | 0.209 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.4 | -38.5 | 178.7 | -179.4 | 62.9 | 0 | 0 | 0 | 111.8 | P398 P518 W520 E525 L526 E527 D532 C533 | P398-L529 HydrophobicContact CB-CD2 3.84Å; P398-L529 HydrophobicContact CB-CG 3.89Å; P398-L529 HydrophobicContact CG-CD2 3.63Å; P398-L529 HydrophobicContact CG-CG 3.85Å; P518-L529 HydrophobicContact CB-CD2 3.9Å; W520-L529 HydrophobicContact CE3-CD2 3.95Å; E525-L529 WeakPolarHBondContact O-CB 3.35Å; E525-L529 PolarHBondContact O-N 3.37Å; L526-L529 PolarHBondContact O-N 2.84Å; E527-L529 PolarHBondContact O-N 3.38Å; L529-D532 PolarHBondContact O-N 3.16Å; L529-C533 VanDerWaalsContact O-CB 3.26Å; L529-C533 WeakPolarHBondContact O-CB 3.44Å; L529-C533 PolarHBondContact O-N 3.49Å; L529-C533 PolarHBondContact O-SG 3.11Å |
| 530 | V | 89 | Confident | 87.1 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.012 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 176.5 | 169 | 0 | 0 | 0 | 0 | 111.2 | P398 I399 Y402 L526 E527 M528 C533 Q534 | P398-V530 HydrophobicContact CB-CG2 4.12Å; P398-V530 WeakPolarHBondContact O-CG2 3.43Å; I399-V530 HydrophobicContact CG1-CG1 4.34Å; Y402-V530 VanDerWaalsContact CB-CG2 3.43Å; Y402-V530 HydrophobicContact CD1-CG1 4.04Å; Y402-V530 HydrophobicContact CD1-CG2 4.33Å; Y402-V530 HydrophobicContact CD2-CG2 4.5Å; Y402-V530 HydrophobicContact CG-CG1 4.42Å; Y402-V530 HydrophobicContact CG-CG2 3.87Å; L526-V530 HydrophobicContact CD1-CG2 3.9Å; L526-V530 HydrophobicContact CG-CG2 4.26Å; L526-V530 WeakPolarHBondContact O-CB 3.47Å; L526-V530 WeakPolarHBondContact O-CG2 3.23Å; L526-V530 PolarHBondContact O-N 3.03Å; E527-V530 PolarHBondContact O-N 2.97Å; M528-V530 VanDerWaalsContact C-N 3.35Å; M528-V530 PolarHBondContact O-N 3.34Å; V530-C533 PolarHBondContact O-N 2.91Å; V530-Q534 HydrophobicContact CG1-CG 4.4Å; V530-Q534 WeakPolarHBondContact O-CB 3.35Å; V530-Q534 VanDerWaalsContact O-CG 3.31Å; V530-Q534 WeakPolarHBondContact O-CG 3.44Å; V530-Q534 PolarHBondContact O-N 3.24Å |
| 531 | N | 90.5 | Very high | 87.1 | Confident | 88 Ų | 88 | 66.1 Ų | 66.1 | 47% | 0.471 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.6 | -47.8 | 178.2 | -72.8 | -50.4 | 0 | 0 | 0 | 111.6 | E527 M528 C533 Q534 E535 | E527-N531 PolarHBondContact O-N 3.22Å; E527-N531 VanDerWaalsContact O-N 3.08Å; E527-N531 PolarHBondContact O-ND2 3.38Å; M528-N531 PolarHBondContact O-N 3.32Å; N531-C533 PolarHBondContact O-N 2.92Å; N531-Q534 PolarHBondContact O-N 3.09Å; N531-E535 PolarHBondContact O-N 2.99Å |
| 532 | D | 90.9 | Very high | 87.5 | Confident | 55 Ų | 55 | 67.7 Ų | 67.7 | 29% | 0.294 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 175.2 | 178 | 42.2 | 0 | 0 | 0 | 112.3 | M528 L529 R536 | M528-D532 PolarHBondContact O-N 3.14Å; L529-D532 PolarHBondContact O-N 3.16Å; D532-R536 WeakPolarHBondContact O-CG 3.36Å; D532-R536 PolarHBondContact O-N 3.4Å; D532-R536 VanDerWaalsContact O-N 3.1Å; D532-R536 IonicContact OD1-CZ 2.82Å; D532-R536 IonicContact OD1-NE 3.72Å; D532-R536 PolarHBondContact OD1-NE 2.95Å; D532-R536 IonicContact OD1-NH1 3.65Å; D532-R536 IonicContact OD1-NH2 2.9Å; D532-R536 PolarHBondContact OD1-NH2 3.19Å; D532-R536 IonicContact OD2-CZ 3.2Å; D532-R536 IonicContact OD2-NH1 2.67Å; D532-R536 PolarHBondContact OD2-NH1 3.09Å; D532-R536 IonicContact OD2-NH2 2.99Å; D532-R536 PolarHBondContact OD2-NH2 2.89Å |
| 533 | C | 90 | Very high | 87.8 | Confident | 4 Ų | 4 | 68.2 Ų | 68.2 | 3% | 0.027 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67 | -37.9 | 174.8 | -76.1 | 0 | 0 | 0 | 0 | 113.1 | L395 I399 L529 V530 N531 L537 | L395-C533 HydrophobicContact CD2-CB 4.12Å; L395-C533 WeakPolarHBondContact O-CB 3.13Å; I399-C533 HydrophobicContact CD1-CB 4.25Å; I399-C533 HydrophobicContact CG1-CB 4.21Å; L529-C533 VanDerWaalsContact O-CB 3.26Å; L529-C533 WeakPolarHBondContact O-CB 3.44Å; L529-C533 PolarHBondContact O-N 3.49Å; L529-C533 PolarHBondContact O-SG 3.11Å; V530-C533 PolarHBondContact O-N 2.91Å; N531-C533 PolarHBondContact O-N 2.92Å; C533-L537 WeakPolarHBondContact O-CB 3.49Å; C533-L537 PolarHBondContact O-N 2.84Å |
| 534 | Q | 88.8 | Confident | 87.7 | Confident | 88 Ų | 88 | 67 Ų | 67 | 41% | 0.411 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.8 | -47 | 175.5 | -75.7 | 178.7 | 3.4 | 0 | 0 | 111.1 | I399 V530 N531 R536 L537 E538 | I399-Q534 HydrophobicContact CD1-CG 3.79Å; I399-Q534 HydrophobicContact CG1-CG 4.12Å; V530-Q534 HydrophobicContact CG1-CG 4.4Å; V530-Q534 WeakPolarHBondContact O-CB 3.35Å; V530-Q534 VanDerWaalsContact O-CG 3.31Å; V530-Q534 WeakPolarHBondContact O-CG 3.44Å; V530-Q534 PolarHBondContact O-N 3.24Å; N531-Q534 PolarHBondContact O-N 3.09Å; Q534-R536 PolarHBondContact O-N 3.06Å; Q534-L537 WeakPolarHBondContact O-CB 3.42Å; Q534-L537 PolarHBondContact O-N 2.8Å; Q534-L537 VanDerWaalsContact O-N 3.08Å; Q534-E538 PolarHBondContact O-N 2.95Å |
| 535 | E | 91.1 | Very high | 87.3 | Confident | 113 Ų | 113 | 64.8 Ų | 64.8 | 53% | 0.528 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.3 | -47.9 | 177 | -167.3 | -167.3 | 147.4 | 0 | 0 | 111.2 | N531 L537 E538 Q539 | N531-E535 PolarHBondContact O-N 2.99Å; E535-L537 VanDerWaalsContact C-N 3.29Å; E535-L537 PolarHBondContact O-N 3.31Å; E535-E538 PolarHBondContact O-N 2.73Å; E535-Q539 WeakPolarHBondContact O-CG 3.34Å; E535-Q539 PolarHBondContact O-N 3.46Å; E535-Q539 PolarHBondContact OE1-NE2 2.69Å |
| 536 | R | 89.4 | Confident | 86.4 | Confident | 94 Ų | 94 | 68.3 Ų | 68.3 | 36% | 0.355 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.5 | -34.4 | 176 | -72.1 | -179.6 | -173.4 | 132.8 | 15.3 | 113 | L395 D532 Q534 L540 | L395-R536 HydrophobicContact CD1-CB 4.23Å; L395-R536 HydrophobicContact CD2-CB 3.78Å; D532-R536 WeakPolarHBondContact O-CG 3.36Å; D532-R536 PolarHBondContact O-N 3.4Å; D532-R536 VanDerWaalsContact O-N 3.1Å; D532-R536 IonicContact OD1-CZ 2.82Å; D532-R536 IonicContact OD1-NE 3.72Å; D532-R536 PolarHBondContact OD1-NE 2.95Å; D532-R536 IonicContact OD1-NH1 3.65Å; D532-R536 IonicContact OD1-NH2 2.9Å; D532-R536 PolarHBondContact OD1-NH2 3.19Å; D532-R536 IonicContact OD2-CZ 3.2Å; D532-R536 IonicContact OD2-NH1 2.67Å; D532-R536 PolarHBondContact OD2-NH1 3.09Å; D532-R536 IonicContact OD2-NH2 2.99Å; D532-R536 PolarHBondContact OD2-NH2 2.89Å; Q534-R536 PolarHBondContact O-N 3.06Å; R536-L540 WeakPolarHBondContact O-CG 3.47Å; R536-L540 PolarHBondContact O-N 3.42Å |
| 537 | L | 86.1 | Confident | 85.2 | Confident | 20 Ų | 20 | 74.5 Ų | 74.5 | 11% | 0.105 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -70.9 | -34.8 | 176.4 | -171.8 | 65.3 | 0 | 0 | 0 | 111.8 | L395 L396 I399 C533 Q534 E535 L540 K541 | L395-L537 HydrophobicContact CD1-CB 4.4Å; L395-L537 HydrophobicContact CD1-CD1 4.37Å; L396-L537 HydrophobicContact CD2-CD2 4.09Å; I399-L537 HydrophobicContact CD1-CD2 4.28Å; C533-L537 WeakPolarHBondContact O-CB 3.49Å; C533-L537 PolarHBondContact O-N 2.84Å; Q534-L537 WeakPolarHBondContact O-CB 3.42Å; Q534-L537 PolarHBondContact O-N 2.8Å; Q534-L537 VanDerWaalsContact O-N 3.08Å; E535-L537 VanDerWaalsContact C-N 3.29Å; E535-L537 PolarHBondContact O-N 3.31Å; L537-L540 HydrophobicContact CD1-CD1 4.28Å; L537-K541 WeakPolarHBondContact O-CG 3.46Å; L537-K541 PolarHBondContact O-N 3.22Å |
| 538 | E | 86 | Confident | 84.2 | Confident | 104 Ų | 104 | 71 Ų | 71 | 49% | 0.486 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.7 | -47.7 | 171.4 | -67.3 | -161.3 | 140 | 0 | 0 | 111.2 | Q534 E535 L540 K541 E542 | Q534-E538 PolarHBondContact O-N 2.95Å; E535-E538 PolarHBondContact O-N 2.73Å; E538-L540 VanDerWaalsContact C-N 3.25Å; E538-L540 PolarHBondContact O-N 3.06Å; E538-K541 WeakPolarHBondContact O-CA 3.38Å; E538-K541 WeakPolarHBondContact O-CB 3.3Å; E538-K541 PolarHBondContact O-N 3.04Å; E538-E542 PolarHBondContact O-N 3.42Å |
| 539 | Q | 87.2 | Confident | 83.5 | Confident | 67 Ų | 67 | 69.4 Ų | 69.4 | 31% | 0.313 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -55.7 | -38.7 | 173.7 | -68.4 | 177.4 | 17.2 | 0 | 0 | 112.2 | E535 N543 | E535-Q539 WeakPolarHBondContact O-CG 3.34Å; E535-Q539 PolarHBondContact O-N 3.46Å; E535-Q539 PolarHBondContact OE1-NE2 2.69Å; Q539-N543 WeakPolarHBondContact O-CB 3.49Å; Q539-N543 PolarHBondContact O-N 3.22Å; Q539-N543 VanDerWaalsContact O-N 3.13Å; Q539-N543 PolarHBondContact O-ND2 2.76Å |
| 540 | L | 86.6 | Confident | 83.3 | Confident | 6 Ų | 6 | 67.8 Ų | 67.8 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 173.2 | -81.7 | -178.9 | 0 | 0 | 0 | 112.9 | Y391 I392 L395 R536 L537 E538 N543 C544 L550 T554 L558 L656 | Y391-L540 HydrophobicContact CD1-CD1 3.78Å; Y391-L540 HydrophobicContact CD1-CD2 4.21Å; Y391-L540 HydrophobicContact CD1-CG 4.41Å; Y391-L540 HydrophobicContact CE1-CD1 3.7Å; Y391-L540 HydrophobicContact CE1-CD2 3.89Å; Y391-L540 HydrophobicContact CE1-CG 3.95Å; I392-L540 HydrophobicContact CG1-CD1 4.2Å; L395-L540 HydrophobicContact CD1-CD1 3.66Å; R536-L540 WeakPolarHBondContact O-CG 3.47Å; R536-L540 PolarHBondContact O-N 3.42Å; L537-L540 HydrophobicContact CD1-CD1 4.28Å; E538-L540 VanDerWaalsContact C-N 3.25Å; E538-L540 PolarHBondContact O-N 3.06Å; L540-N543 PolarHBondContact O-N 3.03Å; L540-C544 PolarHBondContact O-N 2.98Å; L540-C544 PolarHBondContact O-SG 2.93Å; L540-L550 HydrophobicContact CD2-CD2 3.85Å; L540-T554 HydrophobicContact CD2-CG2 4.27Å; L540-L558 HydrophobicContact CD2-CD1 4.28Å; L540-L656 HydrophobicContact CB-CD2 3.98Å; L540-L656 HydrophobicContact CD1-CD2 4.34Å |
| 541 | K | 83.5 | Confident | 83.2 | Confident | 66 Ų | 66 | 70.3 Ų | 70.3 | 29% | 0.287 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.6 | -43.8 | 179.1 | -72.6 | 179.7 | -179.2 | -153.9 | 0 | 111.3 | L537 E538 N543 C544 Y655 G658 | L537-K541 WeakPolarHBondContact O-CG 3.46Å; L537-K541 PolarHBondContact O-N 3.22Å; E538-K541 WeakPolarHBondContact O-CA 3.38Å; E538-K541 WeakPolarHBondContact O-CB 3.3Å; E538-K541 PolarHBondContact O-N 3.04Å; K541-N543 VanDerWaalsContact C-N 3.25Å; K541-N543 PolarHBondContact O-N 3.29Å; K541-C544 WeakPolarHBondContact O-CB 3.16Å; K541-C544 PolarHBondContact O-N 2.94Å; K541-C544 VanDerWaalsContact O-N 3.07Å; K541-Y655 WeakPolarHBondContact CE-O 3.26Å; K541-Y655 PolarHBondContact NZ-O 2.99Å; K541-G658 PolarHBondContact NZ-O 3.39Å |
| 542 | E | 86 | Confident | 83.1 | Confident | 161 Ų | 161 | 68.3 Ų | 68.3 | 75% | 0.752 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -60.9 | -35.3 | 175.8 | -67.5 | -176.8 | 161.1 | 0 | 0 | 112.3 | E538 C544 | E538-E542 PolarHBondContact O-N 3.42Å; E542-C544 VanDerWaalsContact C-N 3.28Å; E542-C544 PolarHBondContact O-N 2.72Å |
| 543 | N | 86.6 | Confident | 83 | Confident | 49 Ų | 49 | 72.4 Ų | 72.4 | 26% | 0.262 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 6 | 176.6 | -73.5 | -73.9 | 0 | 0 | 0 | 114.2 | Q539 L540 K541 L550 N551 | Q539-N543 WeakPolarHBondContact O-CB 3.49Å; Q539-N543 PolarHBondContact O-N 3.22Å; Q539-N543 VanDerWaalsContact O-N 3.13Å; Q539-N543 PolarHBondContact O-ND2 2.76Å; L540-N543 PolarHBondContact O-N 3.03Å; K541-N543 VanDerWaalsContact C-N 3.25Å; K541-N543 PolarHBondContact O-N 3.29Å; N543-L550 CarbonylContact O-C 3.53Å; N543-L550 WeakPolarHBondContact O-CA 3.27Å; N543-N551 PolarHBondContact O-N 2.99Å; N543-N551 PolarHBondContact OD1-ND2 2.8Å |
| 544 | C | 82.3 | Confident | 83 | Confident | 22 Ų | 22 | 72.6 Ų | 72.6 | 15% | 0.149 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | -102.3 | 139.1 | 176.6 | -77.8 | 0 | 0 | 0 | 0 | 112.8 | L540 K541 E542 | L540-C544 PolarHBondContact O-N 2.98Å; L540-C544 PolarHBondContact O-SG 2.93Å; K541-C544 WeakPolarHBondContact O-CB 3.16Å; K541-C544 PolarHBondContact O-N 2.94Å; K541-C544 VanDerWaalsContact O-N 3.07Å; E542-C544 VanDerWaalsContact C-N 3.28Å; E542-C544 PolarHBondContact O-N 2.72Å |
| 545 | N | 77.7 | Confident | 83.1 | Confident | 76 Ų | 76 | 69 Ų | 69 | 41% | 0.406 | 33% | 0.326 | S | S | . | . | trans | -77.7 | 172.1 | 167.2 | 76.9 | 3.5 | 0 | 0 | 0 | 112.4 | F547 G548 K549 | N545-F547 PolarHBondContact O-N 3.4Å; N545-F547 PolarHBondContact OD1-N 3.07Å; N545-F547 VanDerWaalsContact OD1-N 3.15Å; N545-G548 PolarHBondContact O-N 2.86Å; N545-G548 PolarHBondContact OD1-N 3Å; N545-K549 PolarHBondContact N-O 3.36Å; N545-K549 WeakPolarHBondContact OD1-CB 3.11Å; N545-K549 PolarHBondContact OD1-N 3.46Å; N545-K549 PolarHBondContact OD1-O 3.36Å | ||
| 546 | E | 66.6 | Low | 83.2 | Confident | 157 Ų | 157 | 64 Ų | 64 | 73% | 0.734 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -20.6 | -178.7 | -60.2 | -178.4 | -178.4 | 0 | 0 | 115.5 | ||
| 547 | F | 63.6 | Low | 83.3 | Confident | 133 Ų | 133 | 65.3 Ų | 65.3 | 58% | 0.583 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 6.8 | 178.4 | -57.2 | -77.2 | 0 | 0 | 0 | 112.8 | N545 K653 | N545-F547 PolarHBondContact O-N 3.4Å; N545-F547 PolarHBondContact OD1-N 3.07Å; N545-F547 VanDerWaalsContact OD1-N 3.15Å; F547-K653 WeakPolarHBondContact O-CE 3.42Å; F547-K653 PolarHBondContact O-NZ 3.25Å |
| 548 | G | 66.6 | Low | 83.5 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 5% | 0.052 | 30% | 0.304 | C | S | . | . | S | Bend | trans | 60.6 | 43.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N545 K653 | N545-G548 PolarHBondContact O-N 2.86Å; N545-G548 PolarHBondContact OD1-N 3Å; G548-K653 VanDerWaalsContact O-CE 3.22Å; G548-K653 WeakPolarHBondContact O-CE 3.39Å; G548-K653 PolarHBondContact O-NZ 3.5Å |
| 549 | K | 76.3 | Confident | 83.9 | Confident | 107 Ų | 107 | 59.6 Ų | 59.6 | 47% | 0.465 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -103.5 | 122.2 | 163.8 | -169.9 | -152.1 | 168.5 | -153.1 | 0 | 107.2 | N545 D552 | N545-K549 PolarHBondContact N-O 3.36Å; N545-K549 WeakPolarHBondContact OD1-CB 3.11Å; N545-K549 PolarHBondContact OD1-N 3.46Å; N545-K549 PolarHBondContact OD1-O 3.36Å; K549-D552 IonicContact NZ-OD1 3.02Å; K549-D552 PolarHBondContact NZ-OD1 3.33Å |
| 550 | L | 83.9 | Confident | 84.1 | Confident | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -62.4 | 153.7 | 170.8 | -74 | 73.3 | 0 | 0 | 0 | 110.1 | L388 L540 N543 T554 L555 L558 L656 | L388-L550 HydrophobicContact CD1-CD1 4.21Å; L388-L550 HydrophobicContact CD2-CD1 3.78Å; L388-L550 HydrophobicContact CD2-CD2 3.8Å; L388-L550 HydrophobicContact CD2-CG 4.47Å; L540-L550 HydrophobicContact CD2-CD2 3.85Å; N543-L550 CarbonylContact O-C 3.53Å; N543-L550 WeakPolarHBondContact O-CA 3.27Å; L550-T554 HydrophobicContact CD2-CG2 4.02Å; L550-L555 HydrophobicContact CB-CB 4.46Å; L550-L558 HydrophobicContact CD2-CD1 4.19Å; L550-L656 HydrophobicContact CD1-CD1 4.02Å |
| 551 | N | 88.4 | Confident | 84.3 | Confident | 56 Ų | 56 | 63.3 Ų | 63.3 | 30% | 0.299 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 153.7 | 162.7 | 65.6 | 10.7 | 0 | 0 | 0 | 111.1 | N543 E553 T554 L555 | N543-N551 PolarHBondContact O-N 2.99Å; N543-N551 PolarHBondContact OD1-ND2 2.8Å; N551-E553 VanDerWaalsContact C-N 3.3Å; N551-E553 PolarHBondContact O-N 3.49Å; N551-T554 WeakPolarHBondContact OD1-CB 3.45Å; N551-T554 PolarHBondContact OD1-N 2.86Å; N551-T554 VanDerWaalsContact OD1-N 3.11Å; N551-T554 PolarHBondContact OD1-OG1 3.14Å; N551-L555 WeakPolarHBondContact O-CB 3.21Å; N551-L555 PolarHBondContact O-N 3.32Å; N551-L555 VanDerWaalsContact O-N 3.17Å |
| 552 | D | 87.8 | Confident | 84.7 | Confident | 45 Ų | 45 | 60.8 Ų | 60.8 | 24% | 0.241 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70.1 | -29.8 | -170.7 | -68 | -1.6 | 0 | 0 | 0 | 111.2 | K549 L555 I556 Q584 | K549-D552 IonicContact NZ-OD1 3.02Å; K549-D552 PolarHBondContact NZ-OD1 3.33Å; D552-L555 PolarHBondContact O-N 3.42Å; D552-I556 VanDerWaalsContact O-CB 3.28Å; D552-I556 WeakPolarHBondContact O-CB 3.34Å; D552-I556 WeakPolarHBondContact O-CG1 3.35Å; D552-I556 PolarHBondContact O-N 3.11Å; D552-Q584 HydrophobicContact CB-CG 4.34Å; D552-Q584 PolarHBondContact OD2-NE2 3.32Å |
| 553 | E | 89 | Confident | 85 | Confident | 142 Ų | 142 | 53.1 Ų | 53.1 | 66% | 0.664 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -62.4 | -51.7 | 175.2 | -65.6 | -177.8 | 176.5 | 0 | 0 | 113 | N551 L555 I556 R557 | N551-E553 VanDerWaalsContact C-N 3.3Å; N551-E553 PolarHBondContact O-N 3.49Å; E553-L555 VanDerWaalsContact C-N 3.32Å; E553-L555 PolarHBondContact O-N 3.12Å; E553-I556 PolarHBondContact O-N 2.86Å; E553-R557 WeakPolarHBondContact O-CB 3.5Å; E553-R557 PolarHBondContact O-N 2.69Å |
| 554 | T | 90.3 | Very high | 85.1 | Confident | 8 Ų | 8 | 53.2 Ų | 53.2 | 5% | 0.049 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.5 | -41 | 178.2 | -56.8 | 0 | 0 | 0 | 0 | 110.6 | L540 L550 N551 I556 R557 L558 | L540-T554 HydrophobicContact CD2-CG2 4.27Å; L550-T554 HydrophobicContact CD2-CG2 4.02Å; N551-T554 WeakPolarHBondContact OD1-CB 3.45Å; N551-T554 PolarHBondContact OD1-N 2.86Å; N551-T554 VanDerWaalsContact OD1-N 3.11Å; N551-T554 PolarHBondContact OD1-OG1 3.14Å; T554-I556 VanDerWaalsContact C-N 3.35Å; T554-I556 PolarHBondContact O-N 3.41Å; T554-R557 PolarHBondContact O-N 3.36Å; T554-L558 HydrophobicContact CG2-CD1 4.45Å; T554-L558 WeakPolarHBondContact O-CG 3.38Å; T554-L558 PolarHBondContact O-N 3.07Å |
| 555 | L | 90.8 | Very high | 85.3 | Confident | 12 Ų | 12 | 53.5 Ų | 53.5 | 6% | 0.063 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 178.2 | -174.4 | 67.5 | 0 | 0 | 0 | 112 | L384 L388 L550 N551 D552 E553 L559 F578 | L384-L555 HydrophobicContact CD1-CD2 4.1Å; L384-L555 HydrophobicContact CD2-CD1 4.13Å; L384-L555 HydrophobicContact CD2-CD2 4.16Å; L384-L555 HydrophobicContact CD2-CG 4.18Å; L388-L555 HydrophobicContact CD1-CD1 4.37Å; L388-L555 HydrophobicContact CD2-CD1 4.12Å; L388-L555 HydrophobicContact CG-CD1 4.37Å; L550-L555 HydrophobicContact CB-CB 4.46Å; N551-L555 WeakPolarHBondContact O-CB 3.21Å; N551-L555 PolarHBondContact O-N 3.32Å; N551-L555 VanDerWaalsContact O-N 3.17Å; D552-L555 PolarHBondContact O-N 3.42Å; E553-L555 VanDerWaalsContact C-N 3.32Å; E553-L555 PolarHBondContact O-N 3.12Å; L555-L559 WeakPolarHBondContact O-CB 3.35Å; L555-L559 PolarHBondContact O-N 3.13Å; L555-F578 HydrophobicContact CD2-CE2 4.29Å |
| 556 | I | 92.3 | Very high | 85.4 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.7 | -42.6 | 177.6 | -72.9 | 171.7 | 0 | 0 | 0 | 110.6 | D552 E553 T554 L558 L559 V560 F578 Q584 L587 L588 | D552-I556 VanDerWaalsContact O-CB 3.28Å; D552-I556 WeakPolarHBondContact O-CB 3.34Å; D552-I556 WeakPolarHBondContact O-CG1 3.35Å; D552-I556 PolarHBondContact O-N 3.11Å; E553-I556 PolarHBondContact O-N 2.86Å; T554-I556 VanDerWaalsContact C-N 3.35Å; T554-I556 PolarHBondContact O-N 3.41Å; I556-L558 VanDerWaalsContact C-N 3.33Å; I556-L558 PolarHBondContact O-N 3.19Å; I556-L559 CarbonylContact O-C 3.5Å; I556-L559 PolarHBondContact O-N 3Å; I556-L559 VanDerWaalsContact O-N 3.07Å; I556-V560 HydrophobicContact CG2-CG2 4.1Å; I556-V560 WeakPolarHBondContact O-CG2 3.35Å; I556-V560 PolarHBondContact O-N 2.66Å; I556-F578 HydrophobicContact CD1-CZ 4.25Å; I556-F578 HydrophobicContact CG1-CE1 4.06Å; I556-F578 HydrophobicContact CG1-CZ 3.85Å; I556-Q584 HydrophobicContact CD1-CB 4.12Å; I556-Q584 HydrophobicContact CD1-CG 4.25Å; I556-L587 HydrophobicContact CD1-CB 3.62Å; I556-L587 HydrophobicContact CD1-CD1 4.21Å; I556-L587 HydrophobicContact CG2-CB 4.31Å; I556-L588 HydrophobicContact CG2-CB 4.2Å; I556-L588 HydrophobicContact CG2-CD1 4.23Å |
| 557 | R | 91.1 | Very high | 86 | Confident | 122 Ų | 122 | 47 Ų | 47 | 46% | 0.46 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -54.7 | -47.3 | 174.9 | -176.3 | 177.6 | 68.1 | -176.1 | 2.7 | 112.1 | E553 T554 V560 Q561 | E553-R557 WeakPolarHBondContact O-CB 3.5Å; E553-R557 PolarHBondContact O-N 2.69Å; T554-R557 PolarHBondContact O-N 3.36Å; R557-V560 PolarHBondContact O-N 3.27Å; R557-Q561 WeakPolarHBondContact O-CG 3.41Å; R557-Q561 PolarHBondContact O-N 3.33Å; R557-Q561 VanDerWaalsContact O-N 3.08Å |
| 558 | L | 91.7 | Very high | 87 | Confident | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.2 | -40 | 175.7 | -64.9 | 177.6 | 0 | 0 | 0 | 112 | L387 L388 Y391 L540 L550 T554 I556 K562 | L387-L558 HydrophobicContact CD1-CB 4.42Å; L387-L558 HydrophobicContact CD2-CB 4.03Å; L387-L558 HydrophobicContact CG-CB 4.36Å; L388-L558 HydrophobicContact CD2-CD1 4.42Å; Y391-L558 HydrophobicContact CD1-CD1 3.84Å; Y391-L558 HydrophobicContact CD1-CD2 3.95Å; Y391-L558 HydrophobicContact CD2-CD2 3.72Å; Y391-L558 HydrophobicContact CE1-CD1 4.09Å; Y391-L558 HydrophobicContact CE1-CD2 3.7Å; Y391-L558 HydrophobicContact CE2-CD2 3.45Å; Y391-L558 VanDerWaalsContact CE2-CD2 3.45Å; Y391-L558 HydrophobicContact CG-CD1 4.22Å; Y391-L558 HydrophobicContact CG-CD2 3.97Å; Y391-L558 VanDerWaalsContact CZ-CD2 3.45Å; L540-L558 HydrophobicContact CD2-CD1 4.28Å; L550-L558 HydrophobicContact CD2-CD1 4.19Å; T554-L558 HydrophobicContact CG2-CD1 4.45Å; T554-L558 WeakPolarHBondContact O-CG 3.38Å; T554-L558 PolarHBondContact O-N 3.07Å; I556-L558 VanDerWaalsContact C-N 3.33Å; I556-L558 PolarHBondContact O-N 3.19Å; L558-K562 PolarHBondContact O-N 3.17Å |
| 559 | L | 93.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.3 | -40.9 | 179.1 | -176.4 | 61.7 | 0 | 0 | 0 | 112 | I382 L384 L387 L555 I556 K562 L563 L575 F578 L588 | I382-L559 HydrophobicContact CG2-CD1 3.66Å; L384-L559 HydrophobicContact CD2-CD2 4.41Å; L387-L559 HydrophobicContact CD2-CB 3.86Å; L387-L559 HydrophobicContact CD2-CD1 4.18Å; L555-L559 WeakPolarHBondContact O-CB 3.35Å; L555-L559 PolarHBondContact O-N 3.13Å; I556-L559 CarbonylContact O-C 3.5Å; I556-L559 PolarHBondContact O-N 3Å; I556-L559 VanDerWaalsContact O-N 3.07Å; L559-K562 WeakPolarHBondContact O-CB 3.41Å; L559-K562 PolarHBondContact O-N 3.45Å; L559-K562 VanDerWaalsContact O-N 3.15Å; L559-L563 HydrophobicContact CD1-CD1 4.38Å; L559-L563 HydrophobicContact CD1-CD2 4.49Å; L559-L563 HydrophobicContact CD1-CG 4.16Å; L559-L563 HydrophobicContact CG-CD1 4.13Å; L559-L563 HydrophobicContact CG-CG 4.29Å; L559-L563 WeakPolarHBondContact O-CG 3.26Å; L559-L563 PolarHBondContact O-N 3.29Å; L559-L575 HydrophobicContact CD1-CD1 4Å; L559-L575 HydrophobicContact CD2-CD1 4.07Å; L559-F578 HydrophobicContact CD2-CD1 3.39Å; L559-F578 HydrophobicContact CD2-CE1 3.58Å; L559-F578 HydrophobicContact CD2-CG 4.49Å; L559-L588 HydrophobicContact CB-CD1 4.33Å; L559-L588 HydrophobicContact CD2-CD1 3.71Å; L559-L588 HydrophobicContact CD2-CD2 3.94Å; L559-L588 HydrophobicContact CG-CD1 3.93Å |
| 560 | V | 92.7 | Very high | 87.7 | Confident | 33 Ų | 33 | 38.1 Ų | 38.1 | 20% | 0.2 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.4 | -49.6 | 174.2 | 170.6 | 0 | 0 | 0 | 0 | 110.2 | I556 R557 K562 L563 L564 L588 I612 | I556-V560 HydrophobicContact CG2-CG2 4.1Å; I556-V560 WeakPolarHBondContact O-CG2 3.35Å; I556-V560 PolarHBondContact O-N 2.66Å; R557-V560 PolarHBondContact O-N 3.27Å; V560-K562 PolarHBondContact O-N 2.96Å; V560-L563 PolarHBondContact O-N 2.87Å; V560-L564 HydrophobicContact CG1-CD1 3.71Å; V560-L564 HydrophobicContact CG1-CG 4.31Å; V560-L564 WeakPolarHBondContact O-CB 3.32Å; V560-L564 WeakPolarHBondContact O-CG 3.33Å; V560-L564 PolarHBondContact O-N 2.89Å; V560-L588 HydrophobicContact CG2-CD1 3.84Å; V560-I612 HydrophobicContact CG1-CD1 4.47Å; V560-I612 HydrophobicContact CG2-CD1 4.16Å |
| 561 | Q | 90.4 | Very high | 87.2 | Confident | 117 Ų | 117 | 38.9 Ų | 38.9 | 55% | 0.547 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -53.5 | -38.8 | 173.5 | -74.5 | 175.1 | -20.2 | 0 | 0 | 112.1 | R557 S565 | R557-Q561 WeakPolarHBondContact O-CG 3.41Å; R557-Q561 PolarHBondContact O-N 3.33Å; R557-Q561 VanDerWaalsContact O-N 3.08Å; Q561-S565 PolarHBondContact O-N 3.49Å |
| 562 | K | 92.1 | Very high | 87 | Confident | 14 Ų | 14 | 36.2 Ų | 36.2 | 6% | 0.061 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -71.5 | -45.8 | 177.2 | -172.5 | 65.6 | -177.5 | -175.9 | 0 | 113.5 | I382 L387 E390 Y512 P513 L558 L559 V560 L564 S565 | I382-K562 HydrophobicContact CD1-CG 4.33Å; L387-K562 HydrophobicContact CD1-CB 3.57Å; L387-K562 HydrophobicContact CD1-CD 4.48Å; L387-K562 HydrophobicContact CD1-CG 3.96Å; E390-K562 IonicContact OE1-NZ 2.66Å; E390-K562 PolarHBondContact OE1-NZ 3.45Å; E390-K562 WeakPolarHBondContact OE2-CD 3.29Å; E390-K562 VanDerWaalsContact OE2-CE 3.26Å; E390-K562 WeakPolarHBondContact OE2-CE 3.38Å; E390-K562 IonicContact OE2-NZ 3.47Å; E390-K562 PolarHBondContact OE2-NZ 3.49Å; Y512-K562 WeakPolarHBondContact OH-CE 3.32Å; P513-K562 WeakPolarHBondContact O-CE 3.18Å; P513-K562 PolarHBondContact O-NZ 2.73Å; L558-K562 PolarHBondContact O-N 3.17Å; L559-K562 WeakPolarHBondContact O-CB 3.41Å; L559-K562 PolarHBondContact O-N 3.45Å; L559-K562 VanDerWaalsContact O-N 3.15Å; V560-K562 PolarHBondContact O-N 2.96Å; K562-L564 PolarHBondContact O-N 2.71Å; K562-S565 VanDerWaalsContact O-CB 3.23Å; K562-S565 WeakPolarHBondContact O-CB 3.38Å; K562-S565 PolarHBondContact O-N 2.81Å; K562-S565 PolarHBondContact O-OG 3.39Å |
| 563 | L | 91.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.1 | -24.6 | 179.6 | -65.1 | -178.2 | 0 | 0 | 0 | 112.2 | I382 L559 V560 S565 C568 F573 L588 I612 | I382-L563 HydrophobicContact CB-CD2 4.33Å; I382-L563 HydrophobicContact CG1-CD2 4.12Å; I382-L563 HydrophobicContact CG2-CD2 3.97Å; L559-L563 HydrophobicContact CD1-CD1 4.38Å; L559-L563 HydrophobicContact CD1-CD2 4.49Å; L559-L563 HydrophobicContact CD1-CG 4.16Å; L559-L563 HydrophobicContact CG-CD1 4.13Å; L559-L563 HydrophobicContact CG-CG 4.29Å; L559-L563 WeakPolarHBondContact O-CG 3.26Å; L559-L563 PolarHBondContact O-N 3.29Å; V560-L563 PolarHBondContact O-N 2.87Å; L563-S565 VanDerWaalsContact C-N 3.34Å; L563-C568 WeakPolarHBondContact O-CB 3.31Å; L563-F573 HydrophobicContact CB-CE1 4.4Å; L563-F573 HydrophobicContact CB-CZ 4.47Å; L563-F573 HydrophobicContact CD1-CE2 4.22Å; L563-F573 HydrophobicContact CD1-CZ 4.07Å; L563-F573 HydrophobicContact CD2-CD1 3.94Å; L563-F573 HydrophobicContact CD2-CD2 3.75Å; L563-F573 HydrophobicContact CD2-CE1 3.86Å; L563-F573 HydrophobicContact CD2-CE2 3.69Å; L563-F573 HydrophobicContact CD2-CG 3.88Å; L563-F573 HydrophobicContact CD2-CZ 3.73Å; L563-F573 HydrophobicContact CG-CZ 4.31Å; L563-L588 HydrophobicContact CD1-CD1 4.29Å; L563-I612 HydrophobicContact CB-CB 4.08Å; L563-I612 HydrophobicContact CB-CG2 3.55Å; L563-I612 HydrophobicContact CD1-CB 4.26Å |
| 564 | L | 89.4 | Confident | 87.4 | Confident | 50 Ų | 50 | 27.4 Ų | 27.4 | 26% | 0.262 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -0.1 | 170.4 | -67.1 | 175.9 | 0 | 0 | 0 | 114.1 | V560 K562 Q569 L611 I612 | V560-L564 HydrophobicContact CG1-CD1 3.71Å; V560-L564 HydrophobicContact CG1-CG 4.31Å; V560-L564 WeakPolarHBondContact O-CB 3.32Å; V560-L564 WeakPolarHBondContact O-CG 3.33Å; V560-L564 PolarHBondContact O-N 2.89Å; K562-L564 PolarHBondContact O-N 2.71Å; L564-Q569 PolarHBondContact O-NE2 3.4Å; L564-L611 HydrophobicContact CD2-CB 4.02Å; L564-L611 HydrophobicContact CD2-CD1 3.95Å; L564-I612 HydrophobicContact CD2-CG2 3.78Å; L564-I612 HydrophobicContact CG-CG2 4.13Å |
| 565 | S | 85.7 | Confident | 87.7 | Confident | 29 Ų | 29 | 27.1 Ų | 27.1 | 20% | 0.203 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -66.7 | 146.9 | 171.2 | 70.9 | 0 | 0 | 0 | 0 | 111.4 | Q561 K562 L563 P567 C568 Q569 | Q561-S565 PolarHBondContact O-N 3.49Å; K562-S565 VanDerWaalsContact O-CB 3.23Å; K562-S565 WeakPolarHBondContact O-CB 3.38Å; K562-S565 PolarHBondContact O-N 2.81Å; K562-S565 PolarHBondContact O-OG 3.39Å; L563-S565 VanDerWaalsContact C-N 3.34Å; S565-P567 VanDerWaalsContact C-N 3.32Å; S565-C568 PolarHBondContact O-N 3.26Å; S565-Q569 PolarHBondContact O-N 3.06Å |
| 566 | K | 79.1 | Confident | 87.8 | Confident | 83 Ų | 83 | 27.2 Ų | 27.2 | 36% | 0.361 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -49.1 | -44.1 | 179.3 | -64.4 | -58.5 | -169.6 | 179.5 | 0 | 113.7 | G282 C568 Q569 N570 | G282-K566 WeakPolarHBondContact O-CD 3.28Å; K566-C568 PolarHBondContact O-N 3.37Å; K566-Q569 PolarHBondContact O-N 2.88Å; K566-N570 WeakPolarHBondContact O-CB 3.16Å; K566-N570 VanDerWaalsContact O-CG 3.22Å; K566-N570 PolarHBondContact O-N 2.93Å; K566-N570 PolarHBondContact O-ND2 3.32Å |
| 567 | P | 78.9 | Confident | 87.7 | Confident | 14 Ų | 14 | 27.7 Ų | 27.7 | 9% | 0.091 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -43 | -58.5 | 167.5 | -36.5 | 40.1 | 0 | 0 | 0 | 114.7 | Q224 H380 P513 S565 Q571 | Q224-P567 VanDerWaalsContact NE2-CA 3.33Å; H380-P567 VanDerWaalsContact CD2-C 3.42Å; H380-P567 PolarHBondContact CD2-O 3.4Å; H380-P567 VanDerWaalsContact CD2-O 3.28Å; H380-P567 WeakPolarHBondContact NE2-CB 3.4Å; H380-P567 PolarHBondContact NE2-O 3.5Å; P513-P567 HydrophobicContact CB-CB 3.82Å; P513-P567 HydrophobicContact CB-CG 4.3Å; P513-P567 HydrophobicContact CG-CB 4.16Å; S565-P567 VanDerWaalsContact C-N 3.32Å; P567-Q571 PolarHBondContact O-N 2.82Å |
| 568 | C | 84.9 | Confident | 87.7 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -72.2 | -35.9 | -174.9 | -69 | 0 | 0 | 0 | 0 | 113.3 | L563 S565 K566 G572 F573 | L563-C568 WeakPolarHBondContact O-CB 3.31Å; S565-C568 PolarHBondContact O-N 3.26Å; K566-C568 PolarHBondContact O-N 3.37Å; C568-G572 VanDerWaalsContact O-CA 3.28Å; C568-G572 WeakPolarHBondContact O-CA 3.08Å; C568-G572 PolarHBondContact O-N 2.91Å; C568-F573 HydrophobicContact CB-CD1 3.81Å; C568-F573 HydrophobicContact CB-CE1 4.43Å |
| 569 | Q | 81.7 | Confident | 87.9 | Confident | 47 Ų | 47 | 21.8 Ų | 21.8 | 22% | 0.22 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.9 | -43.4 | 175.7 | -68.3 | -170.2 | -0.8 | 0 | 0 | 112.1 | P353 L564 S565 K566 | P353-Q569 WeakPolarHBondContact CB-O 3.33Å; P353-Q569 WeakPolarHBondContact CG-O 3.44Å; L564-Q569 PolarHBondContact O-NE2 3.4Å; S565-Q569 PolarHBondContact O-N 3.06Å; K566-Q569 PolarHBondContact O-N 2.88Å |
| 570 | N | 75.5 | Confident | 87.7 | Confident | 10 Ų | 10 | 26.5 Ų | 26.5 | 5% | 0.053 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -80.9 | -59.6 | -172.2 | -67.6 | -12.2 | 0 | 0 | 0 | 111.5 | W221 L283 P353 K566 | W221-N570 HydrophobicContact CE3-CB 3.98Å; W221-N570 HydrophobicContact CH2-CB 3.64Å; W221-N570 WeakPolarHBondContact CH2-O 3.22Å; W221-N570 HydrophobicContact CZ2-CB 4.23Å; W221-N570 WeakPolarHBondContact CZ2-O 3.44Å; W221-N570 HydrophobicContact CZ3-CB 3.5Å; W221-N570 VanDerWaalsContact CZ3-CB 3.5Å; L283-N570 WeakPolarHBondContact CA-ND2 3.46Å; L283-N570 PolarHBondContact O-ND2 3.32Å; P353-N570 WeakPolarHBondContact CB-O 3.35Å; K566-N570 WeakPolarHBondContact O-CB 3.16Å; K566-N570 VanDerWaalsContact O-CG 3.22Å; K566-N570 PolarHBondContact O-N 2.93Å; K566-N570 PolarHBondContact O-ND2 3.32Å |
| 571 | Q | 74.1 | Confident | 87.7 | Confident | 23 Ų | 23 | 26.4 Ų | 26.4 | 11% | 0.107 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -30.2 | -174.7 | -59.2 | -177.6 | 13.4 | 0 | 0 | 112.2 | W221 L354 L379 H380 P567 | W221-Q571 VanDerWaalsContact O-CD 3.28Å; W221-Q571 WeakPolarHBondContact O-CG 3.36Å; W221-Q571 PolarHBondContact O-NE2 2.95Å; L354-Q571 PolarHBondContact N-O 3.01Å; L379-Q571 WeakPolarHBondContact CD2-O 3.46Å; H380-Q571 PolarHBondContact CE1-OE1 3.28Å; H380-Q571 PolarHBondContact NE2-OE1 2.96Å; H380-Q571 VanDerWaalsContact NE2-OE1 3.13Å; P567-Q571 PolarHBondContact O-N 2.82Å |
| 572 | G | 85.1 | Confident | 87.7 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 90.9 | -175.9 | -166.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L354 H380 C568 | L354-G572 CarbonylContact O-C 3.58Å; L354-G572 VanDerWaalsContact O-CA 3.32Å; L354-G572 WeakPolarHBondContact O-CA 3.44Å; H380-G572 PolarHBondContact CD2-O 2.93Å; H380-G572 VanDerWaalsContact CD2-O 3.29Å; H380-G572 PolarHBondContact N-O 3.41Å; C568-G572 VanDerWaalsContact O-CA 3.28Å; C568-G572 WeakPolarHBondContact O-CA 3.08Å; C568-G572 PolarHBondContact O-N 2.91Å |
| 573 | F | 91.2 | Very high | 87.7 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 163.8 | -170.2 | 56.9 | -96.5 | 0 | 0 | 0 | 112.5 | L354 R355 L356 H380 I382 L563 C568 L575 I612 | L354-F573 PolarHBondContact O-N 3.17Å; R355-F573 WeakPolarHBondContact CA-O 3.43Å; R355-F573 HydrophobicContact CB-CE1 4.34Å; R355-F573 HydrophobicContact CB-CE2 4.35Å; R355-F573 HydrophobicContact CB-CZ 4.12Å; R355-F573 HydrophobicContact CG-CD1 4.04Å; R355-F573 HydrophobicContact CG-CE1 3.63Å; R355-F573 HydrophobicContact CG-CE2 4.49Å; R355-F573 HydrophobicContact CG-CZ 3.88Å; L356-F573 PolarHBondContact N-O 3.3Å; H380-F573 HydrophobicContact CB-CB 4.15Å; H380-F573 CarbonylContact O-C 3.39Å; H380-F573 VanDerWaalsContact O-CA 3.29Å; H380-F573 WeakPolarHBondContact O-CA 3.23Å; I382-F573 HydrophobicContact CG1-CB 3.82Å; I382-F573 HydrophobicContact CG1-CG 4.45Å; L563-F573 HydrophobicContact CB-CE1 4.4Å; L563-F573 HydrophobicContact CB-CZ 4.47Å; L563-F573 HydrophobicContact CD1-CE2 4.22Å; L563-F573 HydrophobicContact CD1-CZ 4.07Å; L563-F573 HydrophobicContact CD2-CD1 3.94Å; L563-F573 HydrophobicContact CD2-CD2 3.75Å; L563-F573 HydrophobicContact CD2-CE1 3.86Å; L563-F573 HydrophobicContact CD2-CE2 3.69Å; L563-F573 HydrophobicContact CD2-CG 3.88Å; L563-F573 HydrophobicContact CD2-CZ 3.73Å; L563-F573 HydrophobicContact CG-CZ 4.31Å; C568-F573 HydrophobicContact CB-CD1 3.81Å; C568-F573 HydrophobicContact CB-CE1 4.43Å; F573-L575 HydrophobicContact CD2-CB 4.39Å; F573-L575 HydrophobicContact CE2-CB 4.42Å; F573-I612 WeakPolarHBondContact CZ-O 3.12Å |
| 574 | I | 94 | Very high | 87.7 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 113.7 | 167.5 | -50.1 | -165.1 | 0 | 0 | 0 | 108.2 | L356 I358 A370 L373 C374 L379 H380 I382 | L356-I574 HydrophobicContact CB-CB 4.44Å; L356-I574 HydrophobicContact CB-CG1 4.15Å; L356-I574 HydrophobicContact CB-CG2 4.23Å; L356-I574 HydrophobicContact CD1-CD1 3.85Å; L356-I574 HydrophobicContact CD1-CG1 4.02Å; L356-I574 HydrophobicContact CG-CG1 4.43Å; L356-I574 CarbonylContact O-C 3.56Å; L356-I574 WeakPolarHBondContact O-CA 3.37Å; I358-I574 HydrophobicContact CD1-CG2 3.51Å; I358-I574 HydrophobicContact CG1-CG2 3.73Å; A370-I574 HydrophobicContact CB-CG2 4.03Å; L373-I574 HydrophobicContact CB-CD1 3.36Å; L373-I574 HydrophobicContact CD1-CD1 4.37Å; C374-I574 WeakPolarHBondContact SG-CD1 3.43Å; L379-I574 HydrophobicContact CB-CG1 4.03Å; L379-I574 HydrophobicContact CD1-CD1 4.12Å; L379-I574 HydrophobicContact CD1-CG1 3.77Å; H380-I574 PolarHBondContact O-N 3.42Å; I382-I574 PolarHBondContact N-O 3.13Å |
| 575 | L | 95.5 | Very high | 87.9 | Confident | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 116.2 | 173.2 | -168.9 | 64.1 | 0 | 0 | 0 | 109.5 | L356 I358 I382 L559 F573 F578 L588 F589 | L356-L575 PolarHBondContact O-N 3.03Å; I358-L575 PolarHBondContact N-O 3.13Å; I382-L575 HydrophobicContact CB-CD1 4.3Å; I382-L575 HydrophobicContact CG2-CD1 3.91Å; I382-L575 WeakPolarHBondContact O-CA 3.34Å; L559-L575 HydrophobicContact CD1-CD1 4Å; L559-L575 HydrophobicContact CD2-CD1 4.07Å; F573-L575 HydrophobicContact CD2-CB 4.39Å; F573-L575 HydrophobicContact CE2-CB 4.42Å; L575-F578 WeakPolarHBondContact CD2-O 3.45Å; L575-F578 VanDerWaalsContact CG-O 3.25Å; L575-F578 WeakPolarHBondContact CG-O 3.21Å; L575-L588 HydrophobicContact CD2-CD2 3.9Å; L575-F589 HydrophobicContact CD2-CZ 4.35Å |
| 576 | D | 93.4 | Very high | 88.1 | Confident | 15 Ų | 15 | 30 Ų | 30 | 8% | 0.08 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 110.1 | -174.3 | 179.8 | 9.7 | 0 | 0 | 0 | 112.3 | K366 T367 H381 I382 H383 F578 | K366-D576 VanDerWaalsContact CB-OD1 3.29Å; K366-D576 WeakPolarHBondContact CB-OD1 3.41Å; T367-D576 VanDerWaalsContact CA-OD2 3.25Å; T367-D576 WeakPolarHBondContact CA-OD2 3.31Å; T367-D576 VanDerWaalsContact CB-OD2 3.26Å; T367-D576 WeakPolarHBondContact CB-OD2 3.31Å; T367-D576 WeakPolarHBondContact CG2-OD2 3.38Å; T367-D576 PolarHBondContact OG1-OD2 3.17Å; H381-D576 IonicContact CE1-OD2 2.73Å; H381-D576 WeakPolarHBondContact NE2-CB 3.38Å; H381-D576 IonicContact NE2-OD2 2.87Å; H381-D576 PolarHBondContact NE2-OD2 3.32Å; I382-D576 PolarHBondContact O-N 3.31Å; H383-D576 HydrophobicContact CB-CB 4.27Å; D576-F578 VanDerWaalsContact C-N 3.35Å; D576-F578 PolarHBondContact O-N 3.24Å |
| 577 | G | 89.6 | Confident | 88.6 | Confident | 17 Ų | 17 | 30.1 Ų | 30.1 | 18% | 0.175 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 73.5 | 19.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | I358 K580 | I358-G577 PolarHBondContact O-N 3.4Å; G577-K580 WeakPolarHBondContact O-CE 3.41Å |
| 578 | F | 92.3 | Very high | 89.2 | Confident | 3 Ų | 3 | 29.5 Ų | 29.5 | 1% | 0.013 | 15% | 0.147 | C | C | . | . | trans | -145.8 | 152.3 | 173.5 | -167.6 | -97.6 | 0 | 0 | 0 | 109 | C357 L384 L555 I556 L559 L575 D576 K580 Q584 L588 | C357-F578 PolarHBondContact SG-O 3.46Å; L384-F578 HydrophobicContact CD1-CB 4.28Å; L384-F578 HydrophobicContact CD1-CD2 3.77Å; L384-F578 HydrophobicContact CD1-CE2 4.42Å; L384-F578 HydrophobicContact CD1-CG 4.16Å; L384-F578 HydrophobicContact CD2-CB 4.34Å; L384-F578 HydrophobicContact CD2-CD1 4.32Å; L384-F578 HydrophobicContact CD2-CD2 4.3Å; L384-F578 HydrophobicContact CD2-CG 4.05Å; L384-F578 HydrophobicContact CG-CB 4.31Å; L384-F578 HydrophobicContact CG-CD2 4.47Å; L384-F578 HydrophobicContact CG-CG 4.39Å; L555-F578 HydrophobicContact CD2-CE2 4.29Å; I556-F578 HydrophobicContact CD1-CZ 4.25Å; I556-F578 HydrophobicContact CG1-CE1 4.06Å; I556-F578 HydrophobicContact CG1-CZ 3.85Å; L559-F578 HydrophobicContact CD2-CD1 3.39Å; L559-F578 HydrophobicContact CD2-CE1 3.58Å; L559-F578 HydrophobicContact CD2-CG 4.49Å; L575-F578 WeakPolarHBondContact CD2-O 3.45Å; L575-F578 VanDerWaalsContact CG-O 3.25Å; L575-F578 WeakPolarHBondContact CG-O 3.21Å; D576-F578 VanDerWaalsContact C-N 3.35Å; D576-F578 PolarHBondContact O-N 3.24Å; F578-K580 HydrophobicContact CD2-CG 4.46Å; F578-Q584 HydrophobicContact CE2-CB 4.37Å; F578-Q584 HydrophobicContact CE2-CG 4.16Å; F578-Q584 HydrophobicContact CZ-CB 4.01Å; F578-Q584 HydrophobicContact CZ-CG 4.06Å; F578-L588 HydrophobicContact CD1-CD2 4.06Å; F578-L588 HydrophobicContact CE1-CD2 3.99Å | ||
| 579 | P | 94.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | cis | -61 | 164.7 | -11.4 | 28.3 | -34.8 | 0 | 0 | 0 | 112.5 | L359 Q584 A585 L588 F589 V815 F819 | L359-P579 VanDerWaalsContact CD2-O 3.24Å; L359-P579 WeakPolarHBondContact CD2-O 3.48Å; P579-Q584 HydrophobicContact CB-CB 3.84Å; P579-A585 HydrophobicContact CB-CB 4.04Å; P579-A585 HydrophobicContact CG-CB 3.66Å; P579-L588 HydrophobicContact CG-CD2 4.47Å; P579-F589 HydrophobicContact CG-CE2 3.99Å; P579-V815 HydrophobicContact CB-CG2 4.11Å; P579-V815 HydrophobicContact CG-CG2 3.81Å; P579-F819 HydrophobicContact CG-CZ 4.45Å | ||
| 580 | K | 90.5 | Very high | 89.7 | Confident | 98 Ų | 98 | 35.9 Ų | 35.9 | 43% | 0.426 | 17% | 0.169 | S | C | . | . | trans | -112.4 | -34.2 | 178.9 | -62.4 | -179.1 | -179.3 | 178.6 | 0 | 113.5 | G577 F578 V694 V815 | G577-K580 WeakPolarHBondContact O-CE 3.41Å; F578-K580 HydrophobicContact CD2-CG 4.46Å; K580-V694 WeakPolarHBondContact O-CG1 3.4Å; K580-V815 WeakPolarHBondContact O-CB 3.21Å | ||
| 581 | T | 92 | Very high | 89.8 | Confident | 31 Ų | 31 | 37.1 Ų | 37.1 | 19% | 0.19 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -109.8 | 159.8 | 179.4 | 60.8 | 0 | 0 | 0 | 0 | 110.4 | Q583 Q584 A585 V694 | T581-Q583 PolarHBondContact O-N 2.81Å; T581-Q584 PolarHBondContact O-N 2.87Å; T581-Q584 VanDerWaalsContact OG1-CB 3.23Å; T581-Q584 WeakPolarHBondContact OG1-CB 3.39Å; T581-Q584 WeakPolarHBondContact OG1-CG 3.47Å; T581-Q584 PolarHBondContact OG1-N 3.38Å; T581-Q584 PolarHBondContact OG1-OE1 2.94Å; T581-A585 PolarHBondContact O-N 3.06Å; T581-V694 HydrophobicContact CG2-CG1 3.58Å; T581-V694 HydrophobicContact CG2-CG2 4.23Å |
| 582 | L | 91.1 | Very high | 89.6 | Confident | 35 Ų | 35 | 37.9 Ų | 37.9 | 18% | 0.183 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -52.1 | -52.3 | 168.5 | 179.6 | 54.3 | 0 | 0 | 0 | 112.6 | Q584 A585 E586 E813 Y818 | L582-Q584 PolarHBondContact O-N 3.46Å; L582-A585 WeakPolarHBondContact O-CA 3.3Å; L582-A585 WeakPolarHBondContact O-CB 3.43Å; L582-A585 PolarHBondContact O-N 3.5Å; L582-E586 HydrophobicContact CD1-CG 4.27Å; L582-E586 PolarHBondContact O-N 2.8Å; L582-E813 HydrophobicContact CD2-CB 4.48Å; L582-Y818 HydrophobicContact CD1-CD2 4.21Å; L582-Y818 HydrophobicContact CD1-CG 4.47Å |
| 583 | Q | 90.9 | Very high | 88.7 | Confident | 142 Ų | 142 | 43.5 Ų | 43.5 | 66% | 0.664 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -56.4 | -44.6 | -179.3 | -66.2 | 173.5 | -7.9 | 0 | 0 | 113.5 | T581 A585 E586 L587 | T581-Q583 PolarHBondContact O-N 2.81Å; Q583-A585 VanDerWaalsContact C-N 3.28Å; Q583-A585 PolarHBondContact O-N 3.36Å; Q583-E586 PolarHBondContact O-N 3.37Å; Q583-L587 WeakPolarHBondContact O-CB 3.45Å; Q583-L587 WeakPolarHBondContact O-CG 3.22Å; Q583-L587 PolarHBondContact O-N 3.24Å |
| 584 | Q | 93 | Very high | 87.3 | Confident | 13 Ų | 13 | 51.4 Ų | 51.4 | 6% | 0.061 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.7 | -33.9 | 173.5 | -72.4 | 164.4 | 2.8 | 0 | 0 | 113 | D552 I556 F578 P579 T581 L582 L588 | D552-Q584 HydrophobicContact CB-CG 4.34Å; D552-Q584 PolarHBondContact OD2-NE2 3.32Å; I556-Q584 HydrophobicContact CD1-CB 4.12Å; I556-Q584 HydrophobicContact CD1-CG 4.25Å; F578-Q584 HydrophobicContact CE2-CB 4.37Å; F578-Q584 HydrophobicContact CE2-CG 4.16Å; F578-Q584 HydrophobicContact CZ-CB 4.01Å; F578-Q584 HydrophobicContact CZ-CG 4.06Å; P579-Q584 HydrophobicContact CB-CB 3.84Å; T581-Q584 PolarHBondContact O-N 2.87Å; T581-Q584 VanDerWaalsContact OG1-CB 3.23Å; T581-Q584 WeakPolarHBondContact OG1-CB 3.39Å; T581-Q584 WeakPolarHBondContact OG1-CG 3.47Å; T581-Q584 PolarHBondContact OG1-N 3.38Å; T581-Q584 PolarHBondContact OG1-OE1 2.94Å; L582-Q584 PolarHBondContact O-N 3.46Å; Q584-L588 WeakPolarHBondContact O-CB 3.4Å; Q584-L588 PolarHBondContact O-N 2.65Å |
| 585 | A | 92.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -73 | -41 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | P579 T581 L582 Q583 L588 F589 V815 Y818 | P579-A585 HydrophobicContact CB-CB 4.04Å; P579-A585 HydrophobicContact CG-CB 3.66Å; T581-A585 PolarHBondContact O-N 3.06Å; L582-A585 WeakPolarHBondContact O-CA 3.3Å; L582-A585 WeakPolarHBondContact O-CB 3.43Å; L582-A585 PolarHBondContact O-N 3.5Å; Q583-A585 VanDerWaalsContact C-N 3.28Å; Q583-A585 PolarHBondContact O-N 3.36Å; A585-L588 PolarHBondContact O-N 2.81Å; A585-F589 HydrophobicContact CB-CD2 4.32Å; A585-F589 WeakPolarHBondContact O-CB 3.18Å; A585-F589 WeakPolarHBondContact O-CD2 3.49Å; A585-F589 PolarHBondContact O-N 2.86Å; A585-V815 HydrophobicContact CB-CG2 4.27Å; A585-Y818 HydrophobicContact CB-CD1 3.81Å; A585-Y818 HydrophobicContact CB-CD2 3.81Å; A585-Y818 HydrophobicContact CB-CE1 4.42Å; A585-Y818 HydrophobicContact CB-CE2 4.41Å; A585-Y818 HydrophobicContact CB-CG 3.5Å |
| 586 | E | 90.3 | Very high | 83.4 | Confident | 97 Ų | 97 | 61.4 Ų | 61.4 | 45% | 0.453 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62 | -44.2 | 174.8 | -65.1 | 176.2 | 143.4 | 0 | 0 | 112.3 | L582 Q583 R590 Y818 | L582-E586 HydrophobicContact CD1-CG 4.27Å; L582-E586 PolarHBondContact O-N 2.8Å; Q583-E586 PolarHBondContact O-N 3.37Å; E586-R590 WeakPolarHBondContact O-CB 3.07Å; E586-R590 PolarHBondContact O-N 3.47Å; E586-Y818 HydrophobicContact CB-CE2 4.36Å; E586-Y818 HydrophobicContact CG-CD2 3.72Å; E586-Y818 HydrophobicContact CG-CE2 3.87Å |
| 587 | L | 89.8 | Confident | 81.5 | Confident | 84 Ų | 84 | 66 Ų | 66 | 44% | 0.44 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.5 | -39.5 | 175.8 | -73.3 | 171.7 | 0 | 0 | 0 | 112.5 | I556 Q583 | I556-L587 HydrophobicContact CD1-CB 3.62Å; I556-L587 HydrophobicContact CD1-CD1 4.21Å; I556-L587 HydrophobicContact CG2-CB 4.31Å; Q583-L587 WeakPolarHBondContact O-CB 3.45Å; Q583-L587 WeakPolarHBondContact O-CG 3.22Å; Q583-L587 PolarHBondContact O-N 3.24Å |
| 588 | L | 91.9 | Very high | 79.6 | Confident | 2 Ų | 2 | 67.8 Ų | 67.8 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -71.7 | -38.6 | -178.3 | 177.8 | 62.5 | 0 | 0 | 0 | 113.1 | I556 L559 V560 L563 L575 F578 P579 Q584 A585 I612 | I556-L588 HydrophobicContact CG2-CB 4.2Å; I556-L588 HydrophobicContact CG2-CD1 4.23Å; L559-L588 HydrophobicContact CB-CD1 4.33Å; L559-L588 HydrophobicContact CD2-CD1 3.71Å; L559-L588 HydrophobicContact CD2-CD2 3.94Å; L559-L588 HydrophobicContact CG-CD1 3.93Å; V560-L588 HydrophobicContact CG2-CD1 3.84Å; L563-L588 HydrophobicContact CD1-CD1 4.29Å; L575-L588 HydrophobicContact CD2-CD2 3.9Å; F578-L588 HydrophobicContact CD1-CD2 4.06Å; F578-L588 HydrophobicContact CE1-CD2 3.99Å; P579-L588 HydrophobicContact CG-CD2 4.47Å; Q584-L588 WeakPolarHBondContact O-CB 3.4Å; Q584-L588 PolarHBondContact O-N 2.65Å; A585-L588 PolarHBondContact O-N 2.81Å; L588-I612 WeakPolarHBondContact O-CD1 3.1Å |
| 589 | F | 91.6 | Very high | 77.5 | Confident | 1 Ų | 1 | 74.5 Ų | 74.5 | 0% | 0.004 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -110 | 16.6 | -171.8 | -58.6 | -55.8 | 0 | 0 | 0 | 113.4 | L575 P579 A585 S608 H609 I612 P614 Y818 F819 | L575-F589 HydrophobicContact CD2-CZ 4.35Å; P579-F589 HydrophobicContact CG-CE2 3.99Å; A585-F589 HydrophobicContact CB-CD2 4.32Å; A585-F589 WeakPolarHBondContact O-CB 3.18Å; A585-F589 WeakPolarHBondContact O-CD2 3.49Å; A585-F589 PolarHBondContact O-N 2.86Å; F589-S608 CarbonylContact O-C 3.54Å; F589-S608 WeakPolarHBondContact O-CA 3.27Å; F589-H609 PolarHBondContact O-N 2.84Å; F589-I612 HydrophobicContact CD1-CD1 4.45Å; F589-I612 HydrophobicContact CD1-CG1 4.22Å; F589-I612 VanDerWaalsContact CE1-O 3.31Å; F589-I612 WeakPolarHBondContact CE1-O 3.25Å; F589-P614 HydrophobicContact CZ-CG 4.32Å; F589-Y818 HydrophobicContact CB-CE1 4.02Å; F589-Y818 VanDerWaalsContact CB-OH 3.22Å; F589-Y818 WeakPolarHBondContact CB-OH 3.42Å; F589-Y818 HydrophobicContact CD2-CD1 4.22Å; F589-Y818 AromaticContact CD2-CE1 3.61Å; F589-Y818 HydrophobicContact CD2-CE1 3.61Å; F589-Y818 HydrophobicContact CG-CE1 4.22Å; F589-F819 HydrophobicContact CD2-CE1 4.35Å; F589-F819 AromaticContact CE2-CE1 3.83Å; F589-F819 HydrophobicContact CE2-CE1 3.83Å; F589-F819 AromaticContact CE2-CZ 3.76Å; F589-F819 HydrophobicContact CE2-CZ 3.76Å; F589-F819 HydrophobicContact CZ-CE1 4.5Å; F589-F819 HydrophobicContact CZ-CZ 4.48Å |
| 590 | R | 84.8 | Confident | 75.5 | Confident | 180 Ų | 180 | 82.2 Ų | 82.2 | 68% | 0.679 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 135.4 | 174.2 | -175 | 177.2 | 177 | 158.2 | 1.1 | 110.9 | E586 H609 | E586-R590 WeakPolarHBondContact O-CB 3.07Å; E586-R590 PolarHBondContact O-N 3.47Å; R590-H609 WeakPolarHBondContact O-CB 3.42Å |
| 591 | P | 77.4 | Confident | 73.5 | Confident | 36 Ų | 36 | 82.5 Ų | 82.5 | 23% | 0.234 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -52.2 | 146.5 | 175.3 | -24.5 | 33 | 0 | 0 | 0 | 113.1 | I598 Q607 | P591-I598 HydrophobicContact CB-CD1 3.45Å; P591-I598 VanDerWaalsContact CB-CD1 3.45Å; P591-Q607 HydrophobicContact CG-CB 3.71Å |
| 592 | D | 70.9 | Confident | 70.9 | Confident | 39 Ų | 39 | 88 Ų | 88 | 21% | 0.209 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 125.3 | 179.5 | -161.1 | -37.3 | 0 | 0 | 0 | 109.3 | E594 D595 I598 H609 | D592-E594 PolarHBondContact O-N 3.21Å; D592-E594 VanDerWaalsContact O-N 3.11Å; D592-E594 PolarHBondContact OD1-N 3.28Å; D592-E594 VanDerWaalsContact OD1-N 3.09Å; D592-D595 HydrophobicContact CB-CB 4.47Å; D592-D595 PolarHBondContact O-N 2.95Å; D592-I598 VanDerWaalsContact O-CD1 3.28Å; D592-I598 WeakPolarHBondContact O-CD1 3.46Å; D592-H609 IonicContact OD2-CE1 3.34Å; D592-H609 PolarHBondContact OD2-CE1 3.12Å; D592-H609 IonicContact OD2-NE2 2.76Å |
| 593 | P | 66.2 | Low | 68.5 | Low | 118 Ų | 118 | 94.6 Ų | 94.6 | 77% | 0.766 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -15.3 | 177.1 | 26.6 | -36.2 | 0 | 0 | 0 | 114.1 | ||
| 594 | E | 61.1 | Low | 66.3 | Low | 167 Ų | 167 | 90.7 Ų | 90.7 | 78% | 0.78 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -6.8 | 178.8 | -61.1 | -175.4 | -176.6 | 0 | 0 | 113.9 | D592 E596 | D592-E594 PolarHBondContact O-N 3.21Å; D592-E594 VanDerWaalsContact O-N 3.11Å; D592-E594 PolarHBondContact OD1-N 3.28Å; D592-E594 VanDerWaalsContact OD1-N 3.09Å; E594-E596 PolarHBondContact O-N 2.98Å |
| 595 | D | 57.9 | Low | 64.2 | Low | 50 Ų | 50 | 95.9 Ų | 95.9 | 27% | 0.267 | 49% | 0.494 | S | S | . | . | trans | -67.8 | 100.4 | 175.5 | -85.3 | -38.3 | 0 | 0 | 0 | 110.2 | D592 D597 I598 | D592-D595 HydrophobicContact CB-CB 4.47Å; D592-D595 PolarHBondContact O-N 2.95Å; D595-D597 PolarHBondContact O-N 3.45Å; D595-I598 HydrophobicContact CB-CD1 3.69Å; D595-I598 HydrophobicContact CB-CG1 3.77Å; D595-I598 WeakPolarHBondContact O-CB 3.37Å; D595-I598 WeakPolarHBondContact O-CG1 3.45Å; D595-I598 PolarHBondContact O-N 3.25Å | ||
| 596 | E | 50.6 | Low | 62.4 | Low | 161 Ų | 161 | 99 Ų | 99 | 75% | 0.752 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -54 | -30 | -178.3 | -66 | -171.1 | 159.7 | 0 | 0 | 114 | E594 I598 L599 | E594-E596 PolarHBondContact O-N 2.98Å; E596-I598 PolarHBondContact O-N 3.08Å; E596-L599 PolarHBondContact O-N 3.32Å; E596-L599 VanDerWaalsContact O-N 3.14Å |
| 597 | D | 52.6 | Low | 61.2 | Low | 111 Ų | 111 | 97 Ų | 97 | 59% | 0.594 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -59.9 | -23.6 | 176.1 | -76 | -31 | 0 | 0 | 0 | 113.1 | D595 | D595-D597 PolarHBondContact O-N 3.45Š|
| 598 | I | 50.2 | Low | 60.4 | Low | 55 Ų | 55 | 94.7 Ų | 94.7 | 28% | 0.282 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -75.1 | -36 | 178.3 | -56 | -176.5 | 0 | 0 | 0 | 110.9 | P591 D592 D595 E596 M600 N601 | P591-I598 HydrophobicContact CB-CD1 3.45Å; P591-I598 VanDerWaalsContact CB-CD1 3.45Å; D592-I598 VanDerWaalsContact O-CD1 3.28Å; D592-I598 WeakPolarHBondContact O-CD1 3.46Å; D595-I598 HydrophobicContact CB-CD1 3.69Å; D595-I598 HydrophobicContact CB-CG1 3.77Å; D595-I598 WeakPolarHBondContact O-CB 3.37Å; D595-I598 WeakPolarHBondContact O-CG1 3.45Å; D595-I598 PolarHBondContact O-N 3.25Å; E596-I598 PolarHBondContact O-N 3.08Å; I598-M600 PolarHBondContact O-N 2.9Å; I598-N601 PolarHBondContact O-N 2.9Å |
| 599 | L | 49 | Very low | 59.9 | Low | 145 Ų | 145 | 95 Ų | 95 | 76% | 0.759 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -14.6 | -178.3 | -64.3 | 173.2 | 0 | 0 | 0 | 113.3 | E596 | E596-L599 PolarHBondContact O-N 3.32Å; E596-L599 VanDerWaalsContact O-N 3.14Å |
| 600 | M | 52.4 | Low | 59.4 | Low | 161 Ų | 161 | 103 Ų | 103 | 79% | 0.793 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | -5.7 | -177 | -61.6 | -65.7 | -77 | 0 | 0 | 113.8 | I598 | I598-M600 PolarHBondContact O-N 2.9Š|
| 601 | N | 46.6 | Very low | 59.4 | Low | 105 Ų | 105 | 97.6 Ų | 97.6 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | trans | -128.4 | 81.4 | -177.6 | -79.9 | -58.1 | 0 | 0 | 0 | 112.2 | I598 H603 | I598-N601 PolarHBondContact O-N 2.9Å; N601-H603 PolarHBondContact O-N 3.06Å | ||
| 602 | D | 39.1 | Very low | 60 | Low | 147 Ų | 147 | 95.9 Ų | 95.9 | 79% | 0.786 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 128.2 | 168.1 | -92.7 | -38.1 | 0 | 0 | 0 | 111.4 | ||
| 603 | H | 39.7 | Very low | 60.9 | Low | 173 Ų | 173 | 94.7 Ų | 94.7 | 80% | 0.801 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 54.6 | 164.2 | -46.5 | -43.4 | 0 | 0 | 0 | 119.6 | N601 | N601-H603 PolarHBondContact O-N 3.06Š|
| 604 | S | 45.8 | Very low | 62.1 | Low | 59 Ų | 59 | 89.2 Ų | 89.2 | 41% | 0.413 | 46% | 0.461 | S | S | . | . | trans | -118.2 | 106.4 | 151 | 52.9 | 0 | 0 | 0 | 0 | 112.3 | S606 Q607 | S604-S606 PolarHBondContact O-N 3.02Å; S604-S606 VanDerWaalsContact O-N 3.11Å; S604-Q607 PolarHBondContact OG-NE2 3.13Å | ||
| 605 | P | 47.4 | Very low | 63.5 | Low | 123 Ų | 123 | 84.8 Ų | 84.8 | 80% | 0.799 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -4.4 | -177.9 | 29.1 | -35.3 | 0 | 0 | 0 | 114.2 | ||
| 606 | S | 55.8 | Low | 65.1 | Low | 65 Ų | 65 | 86.1 Ų | 86.1 | 46% | 0.455 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -2.9 | -175.5 | -42.5 | 0 | 0 | 0 | 0 | 114.4 | S604 R822 | S604-S606 PolarHBondContact O-N 3.02Å; S604-S606 VanDerWaalsContact O-N 3.11Å; S606-R822 PolarHBondContact O-NE 3.35Å |
| 607 | Q | 63.9 | Low | 67.2 | Low | 56 Ų | 56 | 78.5 Ų | 78.5 | 26% | 0.262 | 41% | 0.409 | S | S | . | . | trans | -61.6 | 151.9 | -178.5 | -63.7 | -178.2 | 23.9 | 0 | 0 | 111.6 | P591 S604 R822 | P591-Q607 HydrophobicContact CG-CB 3.71Å; S604-Q607 PolarHBondContact OG-NE2 3.13Å; Q607-R822 PolarHBondContact O-NE 3.34Å; Q607-R822 PolarHBondContact O-NH2 2.81Å | ||
| 608 | S | 74.1 | Confident | 69.2 | Low | 35 Ų | 35 | 73.2 Ų | 73.2 | 25% | 0.245 | 38% | 0.381 | C | S | . | . | trans | -149.9 | 158 | 176.6 | 63.7 | 0 | 0 | 0 | 0 | 110.5 | F589 R610 T613 | F589-S608 CarbonylContact O-C 3.54Å; F589-S608 WeakPolarHBondContact O-CA 3.27Å; S608-R610 PolarHBondContact O-N 3.26Å; S608-R610 VanDerWaalsContact O-N 3.1Å; S608-T613 PolarHBondContact OG-OG1 3.14Å | ||
| 609 | H | 80.8 | Confident | 71.3 | Confident | 9 Ų | 9 | 70.7 Ų | 70.7 | 4% | 0.042 | 37% | 0.368 | C | S | . | . | trans | -64 | 111.6 | -173.4 | -162.7 | -9.8 | 0 | 0 | 0 | 112.2 | F589 R590 D592 L611 I612 T613 | F589-H609 PolarHBondContact O-N 2.84Å; R590-H609 WeakPolarHBondContact O-CB 3.42Å; D592-H609 IonicContact OD2-CE1 3.34Å; D592-H609 PolarHBondContact OD2-CE1 3.12Å; D592-H609 IonicContact OD2-NE2 2.76Å; H609-L611 PolarHBondContact O-N 3.21Å; H609-L611 VanDerWaalsContact O-N 3.09Å; H609-I612 HydrophobicContact CB-CD1 4.21Å; H609-I612 HydrophobicContact CB-CG1 3.68Å; H609-I612 WeakPolarHBondContact CD2-CD1 3.23Å; H609-I612 VanDerWaalsContact CD2-CG1 3.46Å; H609-I612 WeakPolarHBondContact CD2-CG1 3.42Å; H609-I612 PolarHBondContact O-N 3.45Å; H609-T613 PolarHBondContact O-N 3.11Å; H609-T613 PolarHBondContact O-OG1 2.82Å | ||
| 610 | R | 81.6 | Confident | 73.5 | Confident | 168 Ų | 168 | 63.9 Ų | 63.9 | 63% | 0.634 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -31.3 | -171.8 | -178.2 | 175.3 | 170.4 | -176.8 | -6.9 | 114.8 | R355 S608 | R355-R610 VanDerWaalsContact CZ-O 3.32Å; R355-R610 PolarHBondContact NH1-O 3.01Å; R355-R610 PolarHBondContact NH2-O 3.38Å; S608-R610 PolarHBondContact O-N 3.26Å; S608-R610 VanDerWaalsContact O-N 3.1Å |
| 611 | L | 83.8 | Confident | 75.4 | Confident | 67 Ų | 67 | 57.1 Ų | 57.1 | 35% | 0.351 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -27.7 | -174.9 | -62.5 | 180 | 0 | 0 | 0 | 114.3 | R355 L564 H609 | R355-L611 VanDerWaalsContact CD-O 3.23Å; R355-L611 WeakPolarHBondContact CD-O 3.47Å; R355-L611 PolarHBondContact NE-O 2.89Å; R355-L611 PolarHBondContact NH1-O 3.49Å; L564-L611 HydrophobicContact CD2-CB 4.02Å; L564-L611 HydrophobicContact CD2-CD1 3.95Å; H609-L611 PolarHBondContact O-N 3.21Å; H609-L611 VanDerWaalsContact O-N 3.09Å |
| 612 | I | 89.5 | Confident | 77.5 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | -13.7 | -169.7 | 64.9 | 169.4 | 0 | 0 | 0 | 115.1 | V560 L563 L564 F573 L588 F589 H609 | V560-I612 HydrophobicContact CG1-CD1 4.47Å; V560-I612 HydrophobicContact CG2-CD1 4.16Å; L563-I612 HydrophobicContact CB-CB 4.08Å; L563-I612 HydrophobicContact CB-CG2 3.55Å; L563-I612 HydrophobicContact CD1-CB 4.26Å; L564-I612 HydrophobicContact CD2-CG2 3.78Å; L564-I612 HydrophobicContact CG-CG2 4.13Å; F573-I612 WeakPolarHBondContact CZ-O 3.12Å; L588-I612 WeakPolarHBondContact O-CD1 3.1Å; F589-I612 HydrophobicContact CD1-CD1 4.45Å; F589-I612 HydrophobicContact CD1-CG1 4.22Å; F589-I612 VanDerWaalsContact CE1-O 3.31Å; F589-I612 WeakPolarHBondContact CE1-O 3.25Å; H609-I612 HydrophobicContact CB-CD1 4.21Å; H609-I612 HydrophobicContact CB-CG1 3.68Å; H609-I612 WeakPolarHBondContact CD2-CD1 3.23Å; H609-I612 VanDerWaalsContact CD2-CG1 3.46Å; H609-I612 WeakPolarHBondContact CD2-CG1 3.42Å; H609-I612 PolarHBondContact O-N 3.45Å |
| 613 | T | 89.9 | Confident | 80 | Confident | 13 Ų | 13 | 46.2 Ų | 46.2 | 8% | 0.08 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -65.8 | 134.7 | 173.4 | 39.3 | 0 | 0 | 0 | 0 | 110.3 | R355 S608 H609 I824 | R355-T613 PolarHBondContact NH1-O 3.36Å; S608-T613 PolarHBondContact OG-OG1 3.14Å; H609-T613 PolarHBondContact O-N 3.11Å; H609-T613 PolarHBondContact O-OG1 2.82Å; T613-I824 HydrophobicContact CG2-CD1 3.52Å |
| 614 | P | 92.1 | Very high | 82.4 | Confident | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | trans | -70.6 | 147.3 | -176.1 | 28.2 | -36.8 | 0 | 0 | 0 | 112.6 | R355 C357 F589 V617 F819 | R355-P614 CarbonylContact O-C 3.56Å; C357-P614 HydrophobicContact CB-CB 3.94Å; C357-P614 HydrophobicContact CB-CG 3.89Å; F589-P614 HydrophobicContact CZ-CG 4.32Å; P614-V617 HydrophobicContact CG-CG2 4.08Å; P614-F819 HydrophobicContact CG-CD1 4.39Å; P614-F819 HydrophobicContact CG-CE1 3.61Å; P614-F819 HydrophobicContact CG-CZ 4.29Å | ||
| 615 | N | 89.8 | Confident | 84.5 | Confident | 74 Ų | 74 | 42.6 Ų | 42.6 | 40% | 0.396 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -78.6 | -30.9 | 172.8 | -51.5 | 113.5 | 0 | 0 | 0 | 112.2 | P353 R355 | P353-N615 PolarHBondContact O-OD1 3.15Å; R355-N615 PolarHBondContact N-OD1 2.64Å; R355-N615 PolarHBondContact O-N 3.34Å |
| 616 | Y | 93.2 | Very high | 86.5 | Confident | 77 Ų | 77 | 37.9 Ų | 37.9 | 30% | 0.302 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 136.9 | 177 | -56.5 | -89.2 | 0 | 0 | 0 | 110.8 | L354 R355 L356 C357 I827 V855 I856 | L354-Y616 HydrophobicContact CD1-CD2 3.87Å; L354-Y616 HydrophobicContact CD1-CE2 3.85Å; R355-Y616 PolarHBondContact O-N 3.33Å; L356-Y616 WeakPolarHBondContact CA-O 3.23Å; L356-Y616 HydrophobicContact CD2-CD2 3.77Å; L356-Y616 HydrophobicContact CD2-CG 4.2Å; C357-Y616 PolarHBondContact N-O 2.92Å; Y616-I827 HydrophobicContact CD1-CD1 4.18Å; Y616-V855 HydrophobicContact CD1-CG1 4.3Å; Y616-V855 HydrophobicContact CE1-CG1 4.18Å; Y616-I856 HydrophobicContact CD2-CG1 4.4Å |
| 617 | V | 94.4 | Very high | 88.1 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 129.9 | 170.4 | -178.1 | 0 | 0 | 0 | 0 | 108 | C357 L359 P614 F819 I824 P826 I827 | C357-V617 HydrophobicContact CB-CG2 4.28Å; C357-V617 CarbonylContact O-C 3.49Å; C357-V617 WeakPolarHBondContact O-CA 3.4Å; L359-V617 HydrophobicContact CD1-CG1 4.04Å; L359-V617 HydrophobicContact CG-CG1 4.5Å; P614-V617 HydrophobicContact CG-CG2 4.08Å; V617-F819 HydrophobicContact CG1-CD2 4.27Å; V617-F819 HydrophobicContact CG1-CE2 4.3Å; V617-F819 HydrophobicContact CG2-CB 4.34Å; V617-F819 HydrophobicContact CG2-CD1 3.59Å; V617-F819 HydrophobicContact CG2-CD2 3.96Å; V617-F819 HydrophobicContact CG2-CE1 3.73Å; V617-F819 HydrophobicContact CG2-CE2 4.08Å; V617-F819 HydrophobicContact CG2-CG 3.71Å; V617-F819 HydrophobicContact CG2-CZ 3.95Å; V617-I824 HydrophobicContact CG2-CG2 3.91Å; V617-P826 HydrophobicContact CB-CB 4.36Å; V617-P826 HydrophobicContact CG1-CB 4.16Å; V617-P826 HydrophobicContact CG1-CG 4.35Å; V617-I827 PolarHBondContact O-N 2.93Å |
| 618 | I | 94.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 122.3 | 177.9 | -60.9 | 161.1 | 0 | 0 | 0 | 107.4 | C357 I358 L359 L369 L373 L620 I827 I829 V852 | C357-I618 PolarHBondContact O-N 2.87Å; I358-I618 WeakPolarHBondContact CA-O 3.47Å; I358-I618 HydrophobicContact CD1-CD1 4.47Å; I358-I618 HydrophobicContact CG1-CB 4.38Å; I358-I618 HydrophobicContact CG1-CD1 4.21Å; L359-I618 PolarHBondContact N-O 3.2Å; L369-I618 HydrophobicContact CD2-CG2 4.26Å; L373-I618 HydrophobicContact CD1-CD1 4.22Å; I618-L620 HydrophobicContact CG2-CD2 3.96Å; I618-I827 HydrophobicContact CG1-CB 4.49Å; I618-I827 HydrophobicContact CG1-CD1 4.12Å; I618-I829 HydrophobicContact CG2-CD1 4.08Å; I618-V852 HydrophobicContact CD1-CB 4.46Å; I618-V852 HydrophobicContact CD1-CG1 3.56Å; I618-V852 HydrophobicContact CD1-CG2 3.99Å; I618-V852 HydrophobicContact CG1-CG2 4.41Å; I618-V852 HydrophobicContact CG2-CG2 4.16Å |
| 619 | Y | 94.7 | Very high | 89.8 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 111.3 | -179.2 | -172.5 | -112.1 | 0 | 0 | 0 | 110.8 | L359 I621 Y691 M695 L816 I827 M828 I829 | L359-Y619 HydrophobicContact CB-CD2 3.83Å; L359-Y619 HydrophobicContact CB-CE2 4.42Å; Y619-I621 HydrophobicContact CD1-CD1 4.02Å; Y619-I621 HydrophobicContact CD1-CG1 3.49Å; Y619-I621 VanDerWaalsContact CD1-CG1 3.49Å; Y619-I621 HydrophobicContact CE1-CD1 4.15Å; Y619-I621 HydrophobicContact CE1-CG1 3.42Å; Y619-I621 VanDerWaalsContact CE1-CG1 3.42Å; Y619-Y691 WeakPolarHBondContact CE2-OH 3.29Å; Y619-Y691 PolarHBondContact OH-OH 2.97Å; Y619-M695 HydrophobicContact CE2-CE 3.94Å; Y619-L816 HydrophobicContact CD1-CD1 4.08Å; Y619-L816 HydrophobicContact CD2-CD1 4.14Å; Y619-L816 HydrophobicContact CD2-CD2 3.87Å; Y619-L816 HydrophobicContact CE1-CD1 4.11Å; Y619-L816 HydrophobicContact CE2-CD1 4.21Å; Y619-L816 HydrophobicContact CE2-CD2 4.4Å; Y619-L816 HydrophobicContact CG-CD1 4.1Å; Y619-L816 HydrophobicContact CG-CD2 4.21Å; Y619-I827 PolarHBondContact N-O 3.44Å; Y619-M828 HydrophobicContact CD1-CE 3.65Å; Y619-M828 HydrophobicContact CD1-SD 3.49Å; Y619-M828 WeakPolarHBondContact CD1-SD 3.35Å; Y619-M828 HydrophobicContact CE1-CE 4.16Å; Y619-M828 HydrophobicContact CG-SD 3.94Å; Y619-I829 PolarHBondContact O-N 2.92Å |
| 620 | L | 94 | Very high | 90.1 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 115.5 | 177.7 | -55.7 | -173.3 | 0 | 0 | 0 | 110 | I358 L359 G360 P361 I364 K366 L369 I618 I829 M831 | I358-L620 HydrophobicContact CG2-CD1 4.43Å; L359-L620 PolarHBondContact O-N 2.96Å; G360-L620 WeakPolarHBondContact CA-O 3.43Å; P361-L620 WeakPolarHBondContact CD-O 3.41Å; I364-L620 HydrophobicContact CG1-CB 3.75Å; I364-L620 HydrophobicContact CG2-CB 3.96Å; I364-L620 HydrophobicContact CG2-CD1 4.13Å; K366-L620 HydrophobicContact CG-CD1 4.14Å; L369-L620 HydrophobicContact CD2-CD1 4.03Å; L369-L620 HydrophobicContact CD2-CD2 4.03Å; L369-L620 HydrophobicContact CD2-CG 4.45Å; I618-L620 HydrophobicContact CG2-CD2 3.96Å; L620-I829 HydrophobicContact CD2-CB 3.92Å; L620-I829 HydrophobicContact CD2-CD1 4.18Å; L620-I829 HydrophobicContact CD2-CG1 4.37Å; L620-I829 HydrophobicContact CD2-CG2 4.49Å; L620-M831 HydrophobicContact CB-CG 4.32Å; L620-M831 HydrophobicContact CD2-SD 4.07Å |
| 621 | I | 92 | Very high | 90.3 | Very high | 20 Ų | 20 | 32.6 Ų | 32.6 | 10% | 0.103 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 138.9 | 176.9 | -59 | 163.7 | 0 | 0 | 0 | 108.6 | Y619 V807 M828 I829 M831 | Y619-I621 HydrophobicContact CD1-CD1 4.02Å; Y619-I621 HydrophobicContact CD1-CG1 3.49Å; Y619-I621 VanDerWaalsContact CD1-CG1 3.49Å; Y619-I621 HydrophobicContact CE1-CD1 4.15Å; Y619-I621 HydrophobicContact CE1-CG1 3.42Å; Y619-I621 VanDerWaalsContact CE1-CG1 3.42Å; I621-V807 HydrophobicContact CG2-CG2 3.84Å; I621-M828 HydrophobicContact CD1-CB 4.29Å; I621-M828 HydrophobicContact CD1-CE 4.27Å; I621-I829 PolarHBondContact N-O 3.15Å; I621-M831 WeakPolarHBondContact O-CB 3.49Å; I621-M831 WeakPolarHBondContact O-CG 3.17Å; I621-M831 PolarHBondContact O-N 2.97Å |
| 622 | G | 90.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | trans | -157.3 | 149.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R692 D832 | G622-R692 PolarHBondContact O-NH2 3.42Å; G622-D832 VanDerWaalsContact CA-OD2 3.29Å; G622-D832 WeakPolarHBondContact CA-OD2 3.24Å | ||
| 623 | S | 91.8 | Very high | 89.9 | Confident | 21 Ų | 21 | 38.1 Ų | 38.1 | 15% | 0.147 | 19% | 0.193 | C | C | . | . | trans | -67.2 | 152.9 | 173.4 | 67.7 | 0 | 0 | 0 | 0 | 112.1 | N625 L626 L627 E806 D832 | S623-N625 PolarHBondContact O-N 3.3Å; S623-L626 PolarHBondContact O-N 2.84Å; S623-L626 VanDerWaalsContact O-N 3.11Å; S623-L626 PolarHBondContact OG-N 2.86Å; S623-L627 WeakPolarHBondContact O-CG 3.46Å; S623-L627 PolarHBondContact O-N 3.07Å; S623-L627 VanDerWaalsContact O-N 3.11Å; S623-E806 VanDerWaalsContact CA-OE2 3.23Å; S623-E806 WeakPolarHBondContact CA-OE2 3.45Å; S623-E806 VanDerWaalsContact CB-OE2 3.25Å; S623-E806 WeakPolarHBondContact CB-OE2 3.26Å; S623-D832 VanDerWaalsContact CB-OD1 3.22Å; S623-D832 WeakPolarHBondContact CB-OD1 3.25Å; S623-D832 PolarHBondContact N-OD1 2.84Å; S623-D832 PolarHBondContact N-OD2 2.83Å; S623-D832 PolarHBondContact OG-OD1 3.45Å | ||
| 624 | N | 90.4 | Very high | 89.2 | Confident | 42 Ų | 42 | 43 Ų | 43 | 23% | 0.225 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.3 | -30.8 | 177.4 | -63.9 | -27.4 | 0 | 0 | 0 | 111.2 | L627 L628 L688 R692 E806 | N624-L627 PolarHBondContact O-N 2.75Å; N624-L628 WeakPolarHBondContact O-CB 3.39Å; N624-L628 WeakPolarHBondContact O-CD1 3.24Å; N624-L628 VanDerWaalsContact O-CG 3.24Å; N624-L628 WeakPolarHBondContact O-CG 3.34Å; N624-L628 PolarHBondContact O-N 2.98Å; N624-L688 HydrophobicContact CB-CD2 4.47Å; N624-R692 PolarHBondContact OD1-NE 3.34Å; N624-R692 VanDerWaalsContact OD1-NE 3.13Å; N624-R692 PolarHBondContact OD1-NH2 3Å; N624-E806 WeakPolarHBondContact CB-OE1 3.35Å; N624-E806 PolarHBondContact N-OE1 3.49Å; N624-E806 PolarHBondContact ND2-OE1 3.36Å; N624-E806 VanDerWaalsContact ND2-OE1 3.1Å |
| 625 | N | 89.5 | Confident | 88.3 | Confident | 114 Ų | 114 | 44.1 Ų | 44.1 | 61% | 0.61 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -61.3 | -48.7 | 173 | -72.1 | -32 | 0 | 0 | 0 | 112.4 | S623 L627 L628 Q629 | S623-N625 PolarHBondContact O-N 3.3Å; N625-L627 VanDerWaalsContact C-N 3.3Å; N625-L627 PolarHBondContact O-N 2.84Å; N625-L628 PolarHBondContact O-N 3.31Å; N625-Q629 WeakPolarHBondContact O-CG 3.42Å; N625-Q629 PolarHBondContact O-N 2.78Å |
| 626 | L | 89 | Confident | 87 | Confident | 25 Ų | 25 | 44.5 Ų | 44.5 | 13% | 0.131 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.2 | -41.9 | 176.1 | 177 | 65.8 | 0 | 0 | 0 | 111.4 | I364 S623 Q629 R630 M831 D832 | I364-L626 HydrophobicContact CD1-CD2 4.1Å; S623-L626 PolarHBondContact O-N 2.84Å; S623-L626 VanDerWaalsContact O-N 3.11Å; S623-L626 PolarHBondContact OG-N 2.86Å; L626-Q629 PolarHBondContact O-N 3.16Å; L626-R630 HydrophobicContact CD1-CG 4.4Å; L626-R630 WeakPolarHBondContact O-CB 3.4Å; L626-R630 WeakPolarHBondContact O-CG 3.37Å; L626-R630 PolarHBondContact O-N 2.73Å; L626-M831 HydrophobicContact CD2-CB 3.76Å; L626-D832 WeakPolarHBondContact CB-OD1 3.3Å; L626-D832 WeakPolarHBondContact CD2-OD1 3.49Å |
| 627 | L | 90.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 179.4 | -60.7 | -178.9 | 0 | 0 | 0 | 112.3 | P361 P362 I364 S623 N624 N625 R630 F631 F684 L688 | P361-L627 HydrophobicContact CB-CD1 3.63Å; P361-L627 HydrophobicContact CG-CD1 3.7Å; P361-L627 HydrophobicContact CG-CD2 4.21Å; P362-L627 VanDerWaalsContact O-CD2 3.32Å; P362-L627 WeakPolarHBondContact O-CD2 3.34Å; I364-L627 HydrophobicContact CB-CD2 3.78Å; I364-L627 HydrophobicContact CD1-CD2 3.67Å; I364-L627 HydrophobicContact CG1-CD2 4.28Å; S623-L627 WeakPolarHBondContact O-CG 3.46Å; S623-L627 PolarHBondContact O-N 3.07Å; S623-L627 VanDerWaalsContact O-N 3.11Å; N624-L627 PolarHBondContact O-N 2.75Å; N625-L627 VanDerWaalsContact C-N 3.3Å; N625-L627 PolarHBondContact O-N 2.84Å; L627-R630 PolarHBondContact O-N 3.46Å; L627-F631 VanDerWaalsContact O-CB 3.3Å; L627-F631 WeakPolarHBondContact O-CB 3.48Å; L627-F631 PolarHBondContact O-N 2.86Å; L627-F684 HydrophobicContact CB-CZ 3.98Å; L627-L688 HydrophobicContact CD1-CD1 3.52Å; L627-L688 HydrophobicContact CD1-CD2 4.23Å |
| 628 | L | 88 | Confident | 83.8 | Confident | 49 Ų | 49 | 49.7 Ų | 49.7 | 26% | 0.257 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64 | -42.4 | 175 | -75 | 165.4 | 0 | 0 | 0 | 111.9 | N624 N625 F631 N632 F684 | N624-L628 WeakPolarHBondContact O-CB 3.39Å; N624-L628 WeakPolarHBondContact O-CD1 3.24Å; N624-L628 VanDerWaalsContact O-CG 3.24Å; N624-L628 WeakPolarHBondContact O-CG 3.34Å; N624-L628 PolarHBondContact O-N 2.98Å; N625-L628 PolarHBondContact O-N 3.31Å; L628-F631 PolarHBondContact O-N 3.47Å; L628-N632 WeakPolarHBondContact O-CB 3.38Å; L628-N632 VanDerWaalsContact O-CG 3.22Å; L628-N632 PolarHBondContact O-N 2.91Å; L628-N632 PolarHBondContact O-ND2 3.14Å; L628-F684 HydrophobicContact CD2-CD1 4.41Å; L628-F684 HydrophobicContact CD2-CE1 3.67Å; L628-F684 HydrophobicContact CG-CE1 4.29Å |
| 629 | Q | 86.4 | Confident | 82.1 | Confident | 121 Ų | 121 | 57.4 Ų | 57.4 | 57% | 0.565 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -61.7 | -48.4 | 174.3 | -73.6 | 176.5 | -7 | 0 | 0 | 111.6 | N625 L626 F631 N632 N633 | N625-Q629 WeakPolarHBondContact O-CG 3.42Å; N625-Q629 PolarHBondContact O-N 2.78Å; L626-Q629 PolarHBondContact O-N 3.16Å; Q629-F631 VanDerWaalsContact C-N 3.35Å; Q629-F631 PolarHBondContact O-N 3.23Å; Q629-N632 PolarHBondContact O-N 3.36Å; Q629-N633 WeakPolarHBondContact O-CB 3.49Å; Q629-N633 PolarHBondContact O-N 3.31Å; Q629-N633 PolarHBondContact O-ND2 3.08Å |
| 630 | R | 86.7 | Confident | 80.9 | Confident | 44 Ų | 44 | 63 Ų | 63 | 17% | 0.166 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 176.4 | -71.6 | -179 | -169.5 | -127.2 | -4.9 | 111.9 | C363 I364 L626 L627 Q634 Q845 | C363-R630 VanDerWaalsContact O-CD 3.24Å; C363-R630 WeakPolarHBondContact O-CD 3.41Å; I364-R630 PolarHBondContact O-NH1 3.46Å; L626-R630 HydrophobicContact CD1-CG 4.4Å; L626-R630 WeakPolarHBondContact O-CB 3.4Å; L626-R630 WeakPolarHBondContact O-CG 3.37Å; L626-R630 PolarHBondContact O-N 2.73Å; L627-R630 PolarHBondContact O-N 3.46Å; R630-Q634 PolarHBondContact O-N 2.92Å; R630-Q845 VanDerWaalsContact NH2-CD 3.31Å; R630-Q845 VanDerWaalsContact NH2-NE2 3.15Å; R630-Q845 VanDerWaalsContact NH2-OE1 3.09Å |
| 631 | F | 86 | Confident | 80 | Confident | 8 Ų | 8 | 66.2 Ų | 66.2 | 4% | 0.035 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.4 | -51.3 | 175.8 | 174.5 | -95.9 | 0 | 0 | 0 | 111.8 | L627 L628 Q629 N633 Q634 F635 P642 K681 F684 | L627-F631 VanDerWaalsContact O-CB 3.3Å; L627-F631 WeakPolarHBondContact O-CB 3.48Å; L627-F631 PolarHBondContact O-N 2.86Å; L628-F631 PolarHBondContact O-N 3.47Å; Q629-F631 VanDerWaalsContact C-N 3.35Å; Q629-F631 PolarHBondContact O-N 3.23Å; F631-N633 VanDerWaalsContact C-N 3.34Å; F631-N633 PolarHBondContact O-N 3.23Å; F631-Q634 WeakPolarHBondContact O-CB 3.43Å; F631-Q634 PolarHBondContact O-N 3.18Å; F631-F635 HydrophobicContact CD2-CE2 4.09Å; F631-F635 HydrophobicContact CE1-CD2 4.37Å; F631-F635 HydrophobicContact CE1-CE2 4.17Å; F631-F635 HydrophobicContact CE2-CD2 4.46Å; F631-F635 AromaticContact CE2-CE2 3.57Å; F631-F635 HydrophobicContact CE2-CE2 3.57Å; F631-F635 HydrophobicContact CE2-CZ 4.31Å; F631-F635 HydrophobicContact CZ-CD2 4.24Å; F631-F635 AromaticContact CZ-CE2 3.61Å; F631-F635 HydrophobicContact CZ-CE2 3.61Å; F631-F635 HydrophobicContact CZ-CZ 4.37Å; F631-F635 WeakPolarHBondContact O-CD2 3.33Å; F631-P642 HydrophobicContact CE1-CB 3.82Å; F631-P642 HydrophobicContact CE1-CG 3.99Å; F631-P642 HydrophobicContact CZ-CB 3.81Å; F631-P642 HydrophobicContact CZ-CG 4.48Å; F631-K681 HydrophobicContact CE1-CB 4.42Å; F631-K681 HydrophobicContact CE1-CD 3.95Å; F631-K681 HydrophobicContact CZ-CB 4.45Å; F631-F684 HydrophobicContact CB-CD2 4.22Å; F631-F684 HydrophobicContact CB-CE1 4.49Å; F631-F684 HydrophobicContact CB-CE2 4.08Å; F631-F684 HydrophobicContact CB-CG 4.48Å; F631-F684 HydrophobicContact CB-CZ 4.21Å; F631-F684 HydrophobicContact CD1-CD1 4.42Å; F631-F684 HydrophobicContact CD1-CG 4.46Å; F631-F684 HydrophobicContact CD2-CB 3.77Å; F631-F684 HydrophobicContact CD2-CD1 4.29Å; F631-F684 AromaticContact CD2-CD2 3.58Å; F631-F684 HydrophobicContact CD2-CD2 3.58Å; F631-F684 HydrophobicContact CD2-CE2 4.29Å; F631-F684 AromaticContact CD2-CG 3.58Å; F631-F684 HydrophobicContact CD2-CG 3.58Å; F631-F684 HydrophobicContact CE2-CB 3.47Å; F631-F684 VanDerWaalsContact CE2-CB 3.47Å; F631-F684 HydrophobicContact CE2-CD2 4.2Å; F631-F684 AromaticContact CE2-CG 3.85Å; F631-F684 HydrophobicContact CE2-CG 3.85Å; F631-F684 HydrophobicContact CG-CB 4.44Å; F631-F684 HydrophobicContact CG-CD1 4.18Å; F631-F684 HydrophobicContact CG-CD2 4.02Å; F631-F684 HydrophobicContact CG-CE2 4.36Å; F631-F684 AromaticContact CG-CG 3.92Å; F631-F684 HydrophobicContact CG-CG 3.92Å; F631-F684 HydrophobicContact CZ-CB 3.95Å; F631-F684 HydrophobicContact CZ-CG 4.41Å |
| 632 | N | 85 | Confident | 79.1 | Confident | 78 Ų | 78 | 66 Ų | 66 | 42% | 0.417 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 179.9 | -70.1 | -17.7 | 0 | 0 | 0 | 111.5 | L628 Q629 Q634 F635 S636 | L628-N632 WeakPolarHBondContact O-CB 3.38Å; L628-N632 VanDerWaalsContact O-CG 3.22Å; L628-N632 PolarHBondContact O-N 2.91Å; L628-N632 PolarHBondContact O-ND2 3.14Å; Q629-N632 PolarHBondContact O-N 3.36Å; N632-Q634 PolarHBondContact O-N 2.81Å; N632-F635 PolarHBondContact O-N 3.18Å; N632-S636 PolarHBondContact O-N 2.9Å; N632-S636 VanDerWaalsContact O-N 3.09Å; N632-S636 PolarHBondContact O-OG 3.03Å; N632-S636 VanDerWaalsContact O-OG 3.12Å |
| 633 | N | 80.4 | Confident | 78.6 | Confident | 105 Ų | 105 | 70.1 Ų | 70.1 | 56% | 0.561 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -59.8 | -26.9 | 179.8 | -73.1 | -10.8 | 0 | 0 | 0 | 114 | Q629 F631 F635 | Q629-N633 WeakPolarHBondContact O-CB 3.49Å; Q629-N633 PolarHBondContact O-N 3.31Å; Q629-N633 PolarHBondContact O-ND2 3.08Å; F631-N633 VanDerWaalsContact C-N 3.34Å; F631-N633 PolarHBondContact O-N 3.23Å; N633-F635 VanDerWaalsContact C-N 3.29Å; N633-F635 PolarHBondContact O-N 3.26Å |
| 634 | Q | 75.3 | Confident | 77.7 | Confident | 116 Ų | 116 | 76.1 Ų | 76.1 | 54% | 0.542 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.6 | -29.7 | 174.1 | -71.5 | 179.1 | -20.1 | 0 | 0 | 112.8 | R630 F631 N632 | R630-Q634 PolarHBondContact O-N 2.92Å; F631-Q634 WeakPolarHBondContact O-CB 3.43Å; F631-Q634 PolarHBondContact O-N 3.18Å; N632-Q634 PolarHBondContact O-N 2.81Å |
| 635 | F | 71.6 | Confident | 76.8 | Confident | 27 Ų | 27 | 77 Ų | 77 | 12% | 0.118 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -94.1 | -24.7 | 179.4 | -64 | -81.8 | 0 | 0 | 0 | 113.1 | F631 N632 N633 V637 S638 N639 F640 P642 M645 Y680 | F631-F635 HydrophobicContact CD2-CE2 4.09Å; F631-F635 HydrophobicContact CE1-CD2 4.37Å; F631-F635 HydrophobicContact CE1-CE2 4.17Å; F631-F635 HydrophobicContact CE2-CD2 4.46Å; F631-F635 AromaticContact CE2-CE2 3.57Å; F631-F635 HydrophobicContact CE2-CE2 3.57Å; F631-F635 HydrophobicContact CE2-CZ 4.31Å; F631-F635 HydrophobicContact CZ-CD2 4.24Å; F631-F635 AromaticContact CZ-CE2 3.61Å; F631-F635 HydrophobicContact CZ-CE2 3.61Å; F631-F635 HydrophobicContact CZ-CZ 4.37Å; F631-F635 WeakPolarHBondContact O-CD2 3.33Å; N632-F635 PolarHBondContact O-N 3.18Å; N633-F635 VanDerWaalsContact C-N 3.29Å; N633-F635 PolarHBondContact O-N 3.26Å; F635-V637 PolarHBondContact O-N 3.44Å; F635-V637 VanDerWaalsContact O-N 3.12Å; F635-S638 PolarHBondContact O-N 2.87Å; F635-S638 PolarHBondContact O-OG 3.33Å; F635-S638 VanDerWaalsContact O-OG 3.12Å; F635-N639 PolarHBondContact O-N 3.15Å; F635-F640 HydrophobicContact CD1-CB 4.37Å; F635-P642 HydrophobicContact CB-CG 4.46Å; F635-P642 HydrophobicContact CD1-CB 4.33Å; F635-P642 HydrophobicContact CD2-CB 3.87Å; F635-P642 HydrophobicContact CD2-CG 4.16Å; F635-P642 HydrophobicContact CE1-CB 4.47Å; F635-P642 HydrophobicContact CE2-CB 4.04Å; F635-P642 HydrophobicContact CG-CB 4.03Å; F635-P642 HydrophobicContact CG-CG 4.26Å; F635-P642 HydrophobicContact CZ-CB 4.34Å; F635-M645 HydrophobicContact CE1-CE 4.33Å; F635-Y680 HydrophobicContact CE1-CD1 4.17Å; F635-Y680 HydrophobicContact CE1-CG 4.16Å; F635-Y680 AromaticContact CZ-CD1 3.74Å; F635-Y680 HydrophobicContact CZ-CD1 3.74Å; F635-Y680 AromaticContact CZ-CG 3.92Å; F635-Y680 HydrophobicContact CZ-CG 3.92Å |
| 636 | S | 63.4 | Low | 76.1 | Confident | 82 Ų | 82 | 77.7 Ų | 77.7 | 57% | 0.573 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -53.9 | -32.1 | 177.2 | -56.8 | 0 | 0 | 0 | 0 | 114.2 | N632 S638 | N632-S636 PolarHBondContact O-N 2.9Å; N632-S636 VanDerWaalsContact O-N 3.09Å; N632-S636 PolarHBondContact O-OG 3.03Å; N632-S636 VanDerWaalsContact O-OG 3.12Å; S636-S638 VanDerWaalsContact C-N 3.35Å |
| 637 | V | 59.7 | Low | 75.2 | Confident | 137 Ų | 137 | 76.7 Ų | 76.7 | 83% | 0.83 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -18.4 | -179.3 | -175.4 | 0 | 0 | 0 | 0 | 112.5 | F635 | F635-V637 PolarHBondContact O-N 3.44Å; F635-V637 VanDerWaalsContact O-N 3.12Å |
| 638 | S | 59.7 | Low | 74.1 | Confident | 49 Ų | 49 | 82.9 Ų | 82.9 | 34% | 0.343 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | 8.1 | -168.2 | 52.7 | 0 | 0 | 0 | 0 | 114.8 | F635 S636 F640 | F635-S638 PolarHBondContact O-N 2.87Å; F635-S638 PolarHBondContact O-OG 3.33Å; F635-S638 VanDerWaalsContact O-OG 3.12Å; S636-S638 VanDerWaalsContact C-N 3.35Å; S638-F640 VanDerWaalsContact O-CD2 3.24Å; S638-F640 WeakPolarHBondContact O-CD2 3.5Å; S638-F640 WeakPolarHBondContact O-CE2 3.23Å; S638-F640 PolarHBondContact O-N 2.97Å; S638-F640 WeakPolarHBondContact OG-CD2 3.35Å |
| 639 | N | 61.1 | Low | 73 | Confident | 163 Ų | 163 | 82.6 Ų | 82.6 | 87% | 0.872 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 14.6 | -178.4 | -76.8 | -16.1 | 0 | 0 | 0 | 115.5 | F635 | F635-N639 PolarHBondContact O-N 3.15Š|
| 640 | F | 68.2 | Low | 71.9 | Confident | 119 Ų | 119 | 77.9 Ų | 77.9 | 52% | 0.522 | 41% | 0.406 | S | S | . | . | trans | -94 | 139.1 | -179.5 | -63.3 | -56.2 | 0 | 0 | 0 | 112.4 | F635 S638 P642 M645 | F635-F640 HydrophobicContact CD1-CB 4.37Å; S638-F640 VanDerWaalsContact O-CD2 3.24Å; S638-F640 WeakPolarHBondContact O-CD2 3.5Å; S638-F640 WeakPolarHBondContact O-CE2 3.23Å; S638-F640 PolarHBondContact O-N 2.97Å; S638-F640 WeakPolarHBondContact OG-CD2 3.35Å; F640-P642 WeakPolarHBondContact O-CD 3.46Å; F640-M645 HydrophobicContact CB-CE 4.36Å; F640-M645 HydrophobicContact CB-SD 4.02Å; F640-M645 HydrophobicContact CD1-SD 3.88Å; F640-M645 HydrophobicContact CD2-CE 4.46Å; F640-M645 HydrophobicContact CD2-SD 4.38Å; F640-M645 HydrophobicContact CE1-SD 4.47Å; F640-M645 HydrophobicContact CG-CE 4.35Å; F640-M645 HydrophobicContact CG-SD 3.84Å | ||
| 641 | N | 74.8 | Confident | 70.9 | Confident | 70 Ų | 70 | 79.7 Ų | 79.7 | 37% | 0.374 | 42% | 0.422 | S | S | . | . | trans | -89.9 | 109.6 | 173 | -176.1 | -15.7 | 0 | 0 | 0 | 110.3 | T643 Q644 M645 | N641-T643 PolarHBondContact O-N 2.98Å; N641-T643 VanDerWaalsContact O-N 3.14Å; N641-T643 WeakPolarHBondContact OD1-CB 2.98Å; N641-T643 PolarHBondContact OD1-N 3.41Å; N641-T643 VanDerWaalsContact OD1-N 3.07Å; N641-Q644 HydrophobicContact CB-CB 4.29Å; N641-Q644 HydrophobicContact CB-CG 4.43Å; N641-Q644 VanDerWaalsContact ND2-CD 3.3Å; N641-Q644 PolarHBondContact ND2-OE1 2.97Å; N641-Q644 PolarHBondContact O-N 3.43Å; N641-Q644 VanDerWaalsContact O-N 3.09Å; N641-M645 PolarHBondContact O-N 2.98Å | ||
| 642 | P | 74.4 | Confident | 69.9 | Low | 16 Ų | 16 | 80.5 Ų | 80.5 | 10% | 0.104 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -15.2 | -175.3 | 28.2 | -35.7 | 0 | 0 | 0 | 113.9 | F631 F635 F640 Y680 K681 | F631-P642 HydrophobicContact CE1-CB 3.82Å; F631-P642 HydrophobicContact CE1-CG 3.99Å; F631-P642 HydrophobicContact CZ-CB 3.81Å; F631-P642 HydrophobicContact CZ-CG 4.48Å; F635-P642 HydrophobicContact CB-CG 4.46Å; F635-P642 HydrophobicContact CD1-CB 4.33Å; F635-P642 HydrophobicContact CD2-CB 3.87Å; F635-P642 HydrophobicContact CD2-CG 4.16Å; F635-P642 HydrophobicContact CE1-CB 4.47Å; F635-P642 HydrophobicContact CE2-CB 4.04Å; F635-P642 HydrophobicContact CG-CB 4.03Å; F635-P642 HydrophobicContact CG-CG 4.26Å; F635-P642 HydrophobicContact CZ-CB 4.34Å; F640-P642 WeakPolarHBondContact O-CD 3.46Å; P642-Y680 PolarHBondContact O-N 3.46Å; P642-K681 HydrophobicContact CB-CB 4.47Å; P642-K681 WeakPolarHBondContact O-CB 3.29Å; P642-K681 PolarHBondContact O-N 3.15Å |
| 643 | T | 78.4 | Confident | 69.2 | Low | 86 Ų | 86 | 78.4 Ų | 78.4 | 53% | 0.528 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -20.6 | 176.7 | -49.4 | 0 | 0 | 0 | 0 | 112.3 | N641 T679 | N641-T643 PolarHBondContact O-N 2.98Å; N641-T643 VanDerWaalsContact O-N 3.14Å; N641-T643 WeakPolarHBondContact OD1-CB 2.98Å; N641-T643 PolarHBondContact OD1-N 3.41Å; N641-T643 VanDerWaalsContact OD1-N 3.07Å; T643-T679 WeakPolarHBondContact O-CG2 3.37Å |
| 644 | Q | 73.6 | Confident | 68.6 | Low | 148 Ų | 148 | 74.3 Ų | 74.3 | 69% | 0.692 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -32 | -179.6 | -68.5 | 174.4 | -21.3 | 0 | 0 | 112.7 | N641 K646 | N641-Q644 HydrophobicContact CB-CB 4.29Å; N641-Q644 HydrophobicContact CB-CG 4.43Å; N641-Q644 VanDerWaalsContact ND2-CD 3.3Å; N641-Q644 PolarHBondContact ND2-OE1 2.97Å; N641-Q644 PolarHBondContact O-N 3.43Å; N641-Q644 VanDerWaalsContact O-N 3.09Å; Q644-K646 PolarHBondContact O-N 3.03Å |
| 645 | M | 71.2 | Confident | 68.1 | Low | 59 Ų | 59 | 72.1 Ų | 72.1 | 29% | 0.291 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 118.5 | -175.7 | -161.3 | 163.7 | 84.6 | 0 | 0 | 111.2 | F635 F640 N641 T679 Y680 | F635-M645 HydrophobicContact CE1-CE 4.33Å; F640-M645 HydrophobicContact CB-CE 4.36Å; F640-M645 HydrophobicContact CB-SD 4.02Å; F640-M645 HydrophobicContact CD1-SD 3.88Å; F640-M645 HydrophobicContact CD2-CE 4.46Å; F640-M645 HydrophobicContact CD2-SD 4.38Å; F640-M645 HydrophobicContact CE1-SD 4.47Å; F640-M645 HydrophobicContact CG-CE 4.35Å; F640-M645 HydrophobicContact CG-SD 3.84Å; N641-M645 PolarHBondContact O-N 2.98Å; M645-T679 VanDerWaalsContact O-CA 3.27Å; M645-T679 WeakPolarHBondContact O-CA 3.4Å; M645-T679 WeakPolarHBondContact O-CB 3.44Å; M645-Y680 HydrophobicContact CB-CD2 4.13Å; M645-Y680 HydrophobicContact CB-CE2 4.49Å; M645-Y680 HydrophobicContact CE-CD2 3.76Å; M645-Y680 HydrophobicContact CE-CE2 3.37Å; M645-Y680 HydrophobicContact CG-CD2 4.25Å; M645-Y680 HydrophobicContact CG-CE2 4.11Å; M645-Y680 WeakPolarHBondContact O-CD2 3.41Å; M645-Y680 PolarHBondContact O-N 3.29Å |
| 646 | K | 75.8 | Confident | 68 | Low | 129 Ų | 129 | 71.4 Ų | 71.4 | 56% | 0.561 | 38% | 0.375 | S | S | * | . | B | Isolated β-bridge | trans | -72.7 | 144.7 | 171.7 | -69.7 | -180 | 172.4 | -178.4 | 0 | 110.4 | Q644 Q648 L677 | Q644-K646 PolarHBondContact O-N 3.03Å; K646-Q648 PolarHBondContact O-N 2.92Å; K646-L677 HydrophobicContact CB-CB 4.09Å; K646-L677 HydrophobicContact CD-CB 4.26Å; K646-L677 HydrophobicContact CG-CB 4.38Å |
| 647 | I | 69.5 | Low | 68.2 | Low | 4 Ų | 4 | 69.4 Ų | 69.4 | 2% | 0.021 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -77.8 | 123.3 | -179.8 | -73.9 | 148.5 | 0 | 0 | 0 | 111 | E678 T679 Y680 R683 | I647-E678 HydrophobicContact CD1-CG 3.78Å; I647-E678 WeakPolarHBondContact CD1-O 3.07Å; I647-E678 PolarHBondContact N-O 3.45Å; I647-T679 WeakPolarHBondContact CD1-O 3.3Å; I647-Y680 HydrophobicContact CB-CE2 4.33Å; I647-Y680 HydrophobicContact CD1-CG 4.39Å; I647-Y680 HydrophobicContact CG1-CD1 3.93Å; I647-Y680 HydrophobicContact CG1-CD2 3.62Å; I647-Y680 HydrophobicContact CG1-CE1 3.99Å; I647-Y680 HydrophobicContact CG1-CE2 3.64Å; I647-Y680 HydrophobicContact CG1-CG 3.76Å; I647-R683 HydrophobicContact CD1-CB 3.46Å; I647-R683 VanDerWaalsContact CD1-CB 3.46Å; I647-R683 HydrophobicContact CD1-CG 4.04Å |
| 648 | Q | 66.8 | Low | 68.2 | Low | 131 Ų | 131 | 63.3 Ų | 63.3 | 61% | 0.612 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -74 | 135.3 | 164.3 | -66.8 | 179.7 | -5.6 | 0 | 0 | 109.7 | I503 K646 | I503-Q648 HydrophobicContact CD1-CB 4.07Å; K646-Q648 PolarHBondContact O-N 2.92Å |
| 649 | L | 64.6 | Low | 67.6 | Low | 42 Ų | 42 | 67.7 Ų | 67.7 | 22% | 0.22 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -87.2 | 139 | 176.8 | -68 | 170.2 | 0 | 0 | 0 | 109.8 | K653 L654 M657 L677 | L649-K653 HydrophobicContact CD2-CD 4.2Å; L649-L654 HydrophobicContact CB-CD2 4.04Å; L649-L654 HydrophobicContact CB-CG 4.33Å; L649-L654 HydrophobicContact CD1-CD2 4.09Å; L649-M657 HydrophobicContact CD1-CE 4.22Å; L649-M657 HydrophobicContact CD1-SD 3.9Å; L649-L677 HydrophobicContact CD1-CD2 4.11Å; L649-L677 HydrophobicContact CG-CD2 4.33Å |
| 650 | P | 63.9 | Low | 66.8 | Low | 23 Ų | 23 | 68.8 Ų | 68.8 | 15% | 0.149 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -53.2 | 145.2 | 171.1 | -29.3 | 37.5 | 0 | 0 | 0 | 112.5 | E505 W652 K653 L654 | E505-P650 VanDerWaalsContact OE1-CA 3.29Å; E505-P650 WeakPolarHBondContact OE1-CA 3.27Å; E505-P650 VanDerWaalsContact OE1-CB 3.23Å; E505-P650 WeakPolarHBondContact OE1-CB 3.47Å; P650-W652 VanDerWaalsContact C-N 3.3Å; P650-W652 HydrophobicContact CB-CD2 4.35Å; P650-W652 HydrophobicContact CB-CG 4.19Å; P650-W652 VanDerWaalsContact CB-NE1 3.29Å; P650-W652 PolarHBondContact O-N 2.84Å; P650-K653 HydrophobicContact CB-CB 4.26Å; P650-K653 WeakPolarHBondContact O-CA 3.42Å; P650-K653 WeakPolarHBondContact O-CB 3.42Å; P650-K653 PolarHBondContact O-N 3.22Å; P650-L654 PolarHBondContact O-N 3.44Å |
| 651 | T | 65.2 | Low | 65.4 | Low | 82 Ų | 82 | 67.8 Ų | 67.8 | 50% | 0.503 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.1 | -42.9 | -177 | -47.6 | 0 | 0 | 0 | 0 | 111.8 | K653 L654 Y655 | T651-K653 PolarHBondContact O-N 3Å; T651-L654 WeakPolarHBondContact O-CB 3.31Å; T651-L654 PolarHBondContact O-N 3.28Å; T651-L654 VanDerWaalsContact O-N 3.12Å; T651-Y655 HydrophobicContact CG2-CE2 4.19Å; T651-Y655 VanDerWaalsContact O-CD2 3.3Å; T651-Y655 WeakPolarHBondContact O-CD2 3.25Å; T651-Y655 PolarHBondContact O-N 3.04Å |
| 652 | W | 65.9 | Low | 63.9 | Low | 25 Ų | 25 | 69.1 Ų | 69.1 | 10% | 0.095 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.4 | -31.3 | 175.3 | 67.1 | -99.8 | 0 | 0 | 0 | 113.3 | L388 Y389 I392 P650 Y655 L656 | L388-W652 HydrophobicContact CB-CE3 4.31Å; L388-W652 HydrophobicContact CB-CH2 3.77Å; L388-W652 HydrophobicContact CB-CZ2 4.3Å; L388-W652 HydrophobicContact CB-CZ3 3.78Å; L388-W652 HydrophobicContact CD1-CH2 3.68Å; L388-W652 HydrophobicContact CD1-CZ3 3.96Å; L388-W652 HydrophobicContact CG-CH2 4.39Å; L388-W652 HydrophobicContact CG-CZ3 4.47Å; Y389-W652 AromaticContact CD2-CD1 3.97Å; I392-W652 HydrophobicContact CB-CB 4.45Å; I392-W652 HydrophobicContact CD1-CB 4.29Å; I392-W652 HydrophobicContact CD1-CD2 4.27Å; I392-W652 HydrophobicContact CD1-CE3 3.47Å; I392-W652 VanDerWaalsContact CD1-CE3 3.47Å; I392-W652 HydrophobicContact CD1-CZ3 4.16Å; I392-W652 HydrophobicContact CG2-CB 4.1Å; P650-W652 VanDerWaalsContact C-N 3.3Å; P650-W652 HydrophobicContact CB-CD2 4.35Å; P650-W652 HydrophobicContact CB-CG 4.19Å; P650-W652 VanDerWaalsContact CB-NE1 3.29Å; P650-W652 PolarHBondContact O-N 2.84Å; W652-Y655 PolarHBondContact O-N 3.45Å; W652-L656 HydrophobicContact CE3-CD1 4.21Å; W652-L656 HydrophobicContact CZ3-CD1 3.96Å |
| 653 | K | 69.3 | Low | 62.5 | Low | 33 Ų | 33 | 70.2 Ų | 70.2 | 14% | 0.143 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -78.1 | -27 | -179.2 | -175.7 | 161.1 | 177.9 | 163.5 | 0 | 112 | F547 G548 L649 P650 T651 Y655 L656 M657 | F547-K653 WeakPolarHBondContact O-CE 3.42Å; F547-K653 PolarHBondContact O-NZ 3.25Å; G548-K653 VanDerWaalsContact O-CE 3.22Å; G548-K653 WeakPolarHBondContact O-CE 3.39Å; G548-K653 PolarHBondContact O-NZ 3.5Å; L649-K653 HydrophobicContact CD2-CD 4.2Å; P650-K653 HydrophobicContact CB-CB 4.26Å; P650-K653 WeakPolarHBondContact O-CA 3.42Å; P650-K653 WeakPolarHBondContact O-CB 3.42Å; P650-K653 PolarHBondContact O-N 3.22Å; T651-K653 PolarHBondContact O-N 3Å; K653-Y655 VanDerWaalsContact C-N 3.32Å; K653-L656 PolarHBondContact O-N 3.3Å; K653-M657 HydrophobicContact CG-SD 4.08Å; K653-M657 WeakPolarHBondContact O-CG 3.19Å; K653-M657 PolarHBondContact O-N 3.01Å |
| 654 | L | 67.5 | Low | 61 | Low | 20 Ų | 20 | 74.3 Ų | 74.3 | 11% | 0.105 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.7 | -35.4 | 172 | -62.9 | 168.6 | 0 | 0 | 0 | 111.4 | L649 P650 T651 L656 M657 G658 I668 | L649-L654 HydrophobicContact CB-CD2 4.04Å; L649-L654 HydrophobicContact CB-CG 4.33Å; L649-L654 HydrophobicContact CD1-CD2 4.09Å; P650-L654 PolarHBondContact O-N 3.44Å; T651-L654 WeakPolarHBondContact O-CB 3.31Å; T651-L654 PolarHBondContact O-N 3.28Å; T651-L654 VanDerWaalsContact O-N 3.12Å; L654-L656 VanDerWaalsContact C-N 3.33Å; L654-L656 PolarHBondContact O-N 3.23Å; L654-M657 CarbonylContact O-C 3.59Å; L654-M657 PolarHBondContact O-N 3.49Å; L654-M657 VanDerWaalsContact O-N 3.08Å; L654-G658 PolarHBondContact O-N 3.23Å; L654-I668 HydrophobicContact CD1-CG2 3.79Å |
| 655 | Y | 66.7 | Low | 59.7 | Low | 70 Ų | 70 | 72.3 Ų | 72.3 | 28% | 0.275 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.8 | -39.4 | 173.8 | -76.4 | -86.4 | 0 | 0 | 0 | 113.1 | L396 K541 T651 W652 K653 M657 | L396-Y655 HydrophobicContact CD1-CD1 4.16Å; L396-Y655 HydrophobicContact CD1-CD2 3.88Å; L396-Y655 HydrophobicContact CD1-CE1 4.07Å; L396-Y655 HydrophobicContact CD1-CE2 3.79Å; L396-Y655 HydrophobicContact CD1-CG 4.07Å; L396-Y655 HydrophobicContact CD2-CD1 4.04Å; L396-Y655 HydrophobicContact CD2-CE1 3.97Å; K541-Y655 WeakPolarHBondContact CE-O 3.26Å; K541-Y655 PolarHBondContact NZ-O 2.99Å; T651-Y655 HydrophobicContact CG2-CE2 4.19Å; T651-Y655 VanDerWaalsContact O-CD2 3.3Å; T651-Y655 WeakPolarHBondContact O-CD2 3.25Å; T651-Y655 PolarHBondContact O-N 3.04Å; W652-Y655 PolarHBondContact O-N 3.45Å; K653-Y655 VanDerWaalsContact C-N 3.32Å; Y655-M657 VanDerWaalsContact C-N 3.28Å; Y655-M657 PolarHBondContact O-N 3.14Å |
| 656 | L | 69.3 | Low | 58.5 | Low | 12 Ų | 12 | 76.4 Ų | 76.4 | 6% | 0.063 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -70.8 | -22.1 | 175.7 | -65.5 | 176.3 | 0 | 0 | 0 | 113.4 | I392 L540 L550 W652 K653 L654 | I392-L656 HydrophobicContact CD1-CD1 3.87Å; I392-L656 HydrophobicContact CD1-CD2 4.23Å; I392-L656 HydrophobicContact CD1-CG 3.97Å; L540-L656 HydrophobicContact CB-CD2 3.98Å; L540-L656 HydrophobicContact CD1-CD2 4.34Å; L550-L656 HydrophobicContact CD1-CD1 4.02Å; W652-L656 HydrophobicContact CE3-CD1 4.21Å; W652-L656 HydrophobicContact CZ3-CD1 3.96Å; K653-L656 PolarHBondContact O-N 3.3Å; L654-L656 VanDerWaalsContact C-N 3.33Å; L654-L656 PolarHBondContact O-N 3.23Å |
| 657 | M | 66.2 | Low | 57 | Low | 40 Ų | 40 | 71.7 Ų | 71.7 | 20% | 0.197 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -104.3 | -1 | -176 | -65.2 | 179.1 | 67.2 | 0 | 0 | 113.5 | L649 K653 L654 Y655 | L649-M657 HydrophobicContact CD1-CE 4.22Å; L649-M657 HydrophobicContact CD1-SD 3.9Å; K653-M657 HydrophobicContact CG-SD 4.08Å; K653-M657 WeakPolarHBondContact O-CG 3.19Å; K653-M657 PolarHBondContact O-N 3.01Å; L654-M657 CarbonylContact O-C 3.59Å; L654-M657 PolarHBondContact O-N 3.49Å; L654-M657 VanDerWaalsContact O-N 3.08Å; Y655-M657 VanDerWaalsContact C-N 3.28Å; Y655-M657 PolarHBondContact O-N 3.14Å |
| 658 | G | 59.4 | Low | 56.1 | Low | 9 Ų | 9 | 73.1 Ų | 73.1 | 9% | 0.093 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -101.1 | 138 | -175 | 0 | 0 | 0 | 0 | 0 | 113.8 | K541 L654 | K541-G658 PolarHBondContact NZ-O 3.39Å; L654-G658 PolarHBondContact O-N 3.23Å |
| 659 | D | 48.2 | Very low | 55.3 | Low | 141 Ų | 141 | 72.2 Ų | 72.2 | 75% | 0.754 | 37% | 0.365 | S | S | * | . | trans | -61.8 | 168.3 | 171.9 | -80.4 | -45.5 | 0 | 0 | 0 | 113 | T661 | D659-T661 PolarHBondContact O-N 2.75Š| ||
| 660 | K | 44.1 | Very low | 54.5 | Low | 186 Ų | 186 | 76.9 Ų | 76.9 | 81% | 0.809 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -63 | 18.7 | -159.4 | -62.1 | -168 | 171.5 | -154.1 | 0 | 118.4 | ||
| 661 | T | 39 | Very low | 53.9 | Low | 98 Ų | 98 | 78 Ų | 78 | 60% | 0.601 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -119.2 | 128.2 | 175.7 | 54.5 | 0 | 0 | 0 | 0 | 110.8 | D659 L663 | D659-T661 PolarHBondContact O-N 2.75Å; T661-L663 PolarHBondContact O-N 2.95Å |
| 662 | V | 43.5 | Very low | 53.3 | Low | 98 Ų | 98 | 77.3 Ų | 77.3 | 59% | 0.594 | 39% | 0.385 | S | S | * | . | trans | -49.2 | 115.1 | 169.4 | 179.1 | 0 | 0 | 0 | 0 | 108.5 | E403 K664 | E403-V662 WeakPolarHBondContact OE1-CG2 3.29Å; V662-K664 PolarHBondContact O-N 3.07Å | ||
| 663 | L | 44.4 | Very low | 52.6 | Low | 39 Ų | 39 | 82.8 Ų | 82.8 | 20% | 0.204 | 42% | 0.416 | C | S | . | . | trans | -74.7 | 100.3 | -157.7 | -65.6 | 163.9 | 0 | 0 | 0 | 110.3 | T661 D665 S667 I668 | T661-L663 PolarHBondContact O-N 2.95Å; L663-D665 PolarHBondContact O-N 3.12Å; L663-S667 WeakPolarHBondContact CA-OG 3.33Å; L663-S667 WeakPolarHBondContact CB-OG 3.41Å; L663-S667 WeakPolarHBondContact CD2-OG 3.42Å; L663-I668 HydrophobicContact CB-CD1 4.12Å; L663-I668 HydrophobicContact CB-CG1 3.7Å; L663-I668 HydrophobicContact CD1-CD1 4.49Å; L663-I668 HydrophobicContact CD1-CG1 3.98Å; L663-I668 HydrophobicContact CG-CG1 4.34Å | ||
| 664 | K | 46.1 | Very low | 51.7 | Low | 171 Ų | 171 | 85.5 Ų | 85.5 | 74% | 0.743 | 44% | 0.439 | S | S | * | . | trans | -52.3 | 135.9 | 157.7 | -70.3 | -176.2 | 178.2 | -178.9 | 0 | 107.8 | V662 E666 S667 | V662-K664 PolarHBondContact O-N 3.07Å; K664-E666 PolarHBondContact O-N 3.13Å; K664-S667 WeakPolarHBondContact O-CB 3.27Å; K664-S667 PolarHBondContact O-N 3.25Å; K664-S667 PolarHBondContact O-OG 2.65Å | ||
| 665 | D | 47 | Very low | 51.3 | Low | 107 Ų | 107 | 89 Ų | 89 | 57% | 0.572 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -51.3 | -25.8 | -167 | -158.3 | 48.3 | 0 | 0 | 0 | 114.9 | L663 K669 | L663-D665 PolarHBondContact O-N 3.12Å; D665-K669 IonicContact OD2-NZ 3.2Å; D665-K669 PolarHBondContact OD2-NZ 2.7Å; D665-K669 VanDerWaalsContact OD2-NZ 3.15Å |
| 666 | E | 45.4 | Very low | 51 | Low | 145 Ų | 145 | 95 Ų | 95 | 68% | 0.678 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.4 | -36 | 174.1 | -58.4 | -176 | 139.9 | 0 | 0 | 114.2 | K664 K669 Q670 | K664-E666 PolarHBondContact O-N 3.13Å; E666-K669 WeakPolarHBondContact O-CB 3.48Å; E666-K669 PolarHBondContact O-N 2.82Å; E666-Q670 PolarHBondContact O-N 3.35Å |
| 667 | S | 46 | Very low | 50.9 | Low | 30 Ų | 30 | 96.5 Ų | 96.5 | 21% | 0.21 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -70.2 | -33.3 | -179 | 60.2 | 0 | 0 | 0 | 0 | 112.4 | L663 K664 K669 Q670 V671 | L663-S667 WeakPolarHBondContact CA-OG 3.33Å; L663-S667 WeakPolarHBondContact CB-OG 3.41Å; L663-S667 WeakPolarHBondContact CD2-OG 3.42Å; K664-S667 WeakPolarHBondContact O-CB 3.27Å; K664-S667 PolarHBondContact O-N 3.25Å; K664-S667 PolarHBondContact O-OG 2.65Å; S667-K669 VanDerWaalsContact C-N 3.31Å; S667-K669 PolarHBondContact O-N 3.24Å; S667-Q670 PolarHBondContact O-N 2.67Å; S667-V671 PolarHBondContact O-N 2.97Å; S667-V671 VanDerWaalsContact O-N 3.14Å |
| 668 | I | 49 | Very low | 51.2 | Low | 34 Ų | 34 | 96.8 Ų | 96.8 | 17% | 0.174 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -60 | -43.9 | 171.4 | -57.3 | -175.5 | 0 | 0 | 0 | 110.5 | L654 L663 Q670 V671 I672 | L654-I668 HydrophobicContact CD1-CG2 3.79Å; L663-I668 HydrophobicContact CB-CD1 4.12Å; L663-I668 HydrophobicContact CB-CG1 3.7Å; L663-I668 HydrophobicContact CD1-CD1 4.49Å; L663-I668 HydrophobicContact CD1-CG1 3.98Å; L663-I668 HydrophobicContact CG-CG1 4.34Å; I668-Q670 VanDerWaalsContact C-N 3.29Å; I668-Q670 PolarHBondContact O-N 2.99Å; I668-V671 PolarHBondContact O-N 3.03Å; I668-I672 HydrophobicContact CG2-CD1 3.77Å; I668-I672 HydrophobicContact CG2-CG1 4.42Å; I668-I672 WeakPolarHBondContact O-CG1 3.26Å; I668-I672 PolarHBondContact O-N 3.34Å |
| 669 | K | 49.9 | Very low | 52.4 | Low | 112 Ų | 112 | 97 Ų | 97 | 49% | 0.487 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.2 | -35.6 | 178.9 | -63.9 | 168.4 | -169.9 | 162.1 | 0 | 111.6 | D665 E666 S667 N673 | D665-K669 IonicContact OD2-NZ 3.2Å; D665-K669 PolarHBondContact OD2-NZ 2.7Å; D665-K669 VanDerWaalsContact OD2-NZ 3.15Å; E666-K669 WeakPolarHBondContact O-CB 3.48Å; E666-K669 PolarHBondContact O-N 2.82Å; S667-K669 VanDerWaalsContact C-N 3.31Å; S667-K669 PolarHBondContact O-N 3.24Å; K669-N673 WeakPolarHBondContact O-CB 3.33Å; K669-N673 PolarHBondContact O-N 2.69Å; K669-N673 PolarHBondContact O-ND2 3.3Å |
| 670 | Q | 49.1 | Very low | 54 | Low | 140 Ų | 140 | 93 Ų | 93 | 65% | 0.654 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -66.8 | -45.7 | 175 | -66.8 | -179.3 | 5.9 | 0 | 0 | 112.4 | E666 S667 I668 I672 N673 S674 | E666-Q670 PolarHBondContact O-N 3.35Å; S667-Q670 PolarHBondContact O-N 2.67Å; I668-Q670 VanDerWaalsContact C-N 3.29Å; I668-Q670 PolarHBondContact O-N 2.99Å; Q670-I672 VanDerWaalsContact C-N 3.35Å; Q670-I672 PolarHBondContact O-N 3.35Å; Q670-N673 PolarHBondContact O-N 3.32Å; Q670-S674 WeakPolarHBondContact O-CB 3.4Å; Q670-S674 PolarHBondContact O-N 2.83Å; Q670-S674 PolarHBondContact O-OG 3.48Å |
| 671 | V | 51 | Low | 55.9 | Low | 45 Ų | 45 | 86.4 Ų | 86.4 | 27% | 0.273 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.5 | -45 | 175.9 | 177.5 | 0 | 0 | 0 | 0 | 110.9 | S667 I668 N673 S674 K675 | S667-V671 PolarHBondContact O-N 2.97Å; S667-V671 VanDerWaalsContact O-N 3.14Å; I668-V671 PolarHBondContact O-N 3.03Å; V671-N673 VanDerWaalsContact C-N 3.34Å; V671-N673 PolarHBondContact O-N 3.41Å; V671-S674 PolarHBondContact O-N 2.89Å; V671-S674 PolarHBondContact O-OG 2.97Å; V671-K675 PolarHBondContact O-N 2.91Å |
| 672 | I | 51.9 | Low | 58.2 | Low | 69 Ų | 69 | 87 Ų | 87 | 35% | 0.354 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61 | -39.4 | 176.7 | -71.5 | 172.6 | 0 | 0 | 0 | 112.2 | I668 Q670 L677 | I668-I672 HydrophobicContact CG2-CD1 3.77Å; I668-I672 HydrophobicContact CG2-CG1 4.42Å; I668-I672 WeakPolarHBondContact O-CG1 3.26Å; I668-I672 PolarHBondContact O-N 3.34Å; Q670-I672 VanDerWaalsContact C-N 3.35Å; Q670-I672 PolarHBondContact O-N 3.35Å; I672-L677 HydrophobicContact CG2-CD1 4.12Å |
| 673 | N | 51.3 | Low | 60.1 | Low | 139 Ų | 139 | 84.9 Ų | 84.9 | 74% | 0.743 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -72.9 | -28 | 178.3 | -74.6 | -17.2 | 0 | 0 | 0 | 113.2 | K669 Q670 V671 | K669-N673 WeakPolarHBondContact O-CB 3.33Å; K669-N673 PolarHBondContact O-N 2.69Å; K669-N673 PolarHBondContact O-ND2 3.3Å; Q670-N673 PolarHBondContact O-N 3.32Å; V671-N673 VanDerWaalsContact C-N 3.34Å; V671-N673 PolarHBondContact O-N 3.41Å |
| 674 | S | 51.7 | Low | 62.2 | Low | 90 Ų | 90 | 83.4 Ų | 83.4 | 63% | 0.629 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -79.6 | -30.1 | -177 | 70.6 | 0 | 0 | 0 | 0 | 114.7 | Q670 V671 | Q670-S674 WeakPolarHBondContact O-CB 3.4Å; Q670-S674 PolarHBondContact O-N 2.83Å; Q670-S674 PolarHBondContact O-OG 3.48Å; V671-S674 PolarHBondContact O-N 2.89Å; V671-S674 PolarHBondContact O-OG 2.97Å |
| 675 | K | 57.9 | Low | 64.2 | Low | 95 Ų | 95 | 78.2 Ų | 78.2 | 41% | 0.413 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -101.9 | 129.3 | -177.2 | -69.3 | -174.3 | 174.6 | -177.4 | 0 | 111.1 | V671 L677 | V671-K675 PolarHBondContact O-N 2.91Å; K675-L677 PolarHBondContact O-N 2.88Å |
| 676 | Q | 60.7 | Low | 66.1 | Low | 196 Ų | 196 | 77.6 Ų | 77.6 | 92% | 0.916 | 38% | 0.377 | S | S | * | . | trans | -67.3 | 94.4 | 171.8 | -70.8 | -168.5 | 3.3 | 0 | 0 | 110.3 | E678 | Q676-E678 PolarHBondContact O-N 2.84Š| ||
| 677 | L | 66.1 | Low | 68.2 | Low | 42 Ų | 42 | 76.2 Ų | 76.2 | 22% | 0.22 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 128.5 | 174.8 | -67.2 | 170.2 | 0 | 0 | 0 | 111.1 | K646 L649 I672 K675 | K646-L677 HydrophobicContact CB-CB 4.09Å; K646-L677 HydrophobicContact CD-CB 4.26Å; K646-L677 HydrophobicContact CG-CB 4.38Å; L649-L677 HydrophobicContact CD1-CD2 4.11Å; L649-L677 HydrophobicContact CG-CD2 4.33Å; I672-L677 HydrophobicContact CG2-CD1 4.12Å; K675-L677 PolarHBondContact O-N 2.88Å |
| 678 | E | 74.5 | Confident | 70.3 | Confident | 46 Ų | 46 | 75.5 Ų | 75.5 | 22% | 0.215 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 151.1 | 173.1 | 52 | 174.1 | -165.2 | 0 | 0 | 112.4 | I647 Q676 Q682 R683 R686 | I647-E678 HydrophobicContact CD1-CG 3.78Å; I647-E678 WeakPolarHBondContact CD1-O 3.07Å; I647-E678 PolarHBondContact N-O 3.45Å; Q676-E678 PolarHBondContact O-N 2.84Å; E678-Q682 HydrophobicContact CB-CB 4.44Å; E678-R683 HydrophobicContact CG-CB 4.38Å; E678-R683 WeakPolarHBondContact OE1-CB 3.41Å; E678-R683 WeakPolarHBondContact OE1-CD 3.4Å; E678-R683 VanDerWaalsContact OE1-CG 3.23Å; E678-R683 WeakPolarHBondContact OE1-CG 3.47Å; E678-R683 IonicContact OE1-NE 3.87Å; E678-R686 IonicContact OE1-CZ 2.71Å; E678-R686 IonicContact OE1-NH1 3.44Å; E678-R686 IonicContact OE1-NH2 3.83Å; E678-R686 PolarHBondContact OE1-NH2 2.81Å; E678-R686 IonicContact OE2-CZ 2.68Å; E678-R686 IonicContact OE2-NH1 2.99Å; E678-R686 PolarHBondContact OE2-NH1 3.13Å; E678-R686 IonicContact OE2-NH2 2.97Å; E678-R686 PolarHBondContact OE2-NH2 3.37Å |
| 679 | T | 83.6 | Confident | 72.3 | Confident | 15 Ų | 15 | 78.8 Ų | 78.8 | 9% | 0.092 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -84.9 | 157 | 173.7 | 70.6 | 0 | 0 | 0 | 0 | 111.4 | T643 M645 I647 K681 Q682 R683 | T643-T679 WeakPolarHBondContact O-CG2 3.37Å; M645-T679 VanDerWaalsContact O-CA 3.27Å; M645-T679 WeakPolarHBondContact O-CA 3.4Å; M645-T679 WeakPolarHBondContact O-CB 3.44Å; I647-T679 WeakPolarHBondContact CD1-O 3.3Å; T679-K681 PolarHBondContact O-N 3.31Å; T679-Q682 PolarHBondContact O-N 2.98Å; T679-Q682 VanDerWaalsContact O-N 3.12Å; T679-Q682 WeakPolarHBondContact OG1-CG 3.27Å; T679-Q682 PolarHBondContact OG1-N 2.77Å; T679-Q682 PolarHBondContact OG1-OE1 2.86Å; T679-R683 PolarHBondContact O-N 3.1Å |
| 680 | Y | 80.9 | Confident | 74.1 | Confident | 56 Ų | 56 | 77.7 Ų | 77.7 | 22% | 0.22 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -55 | -37.6 | -179.4 | -79.8 | -93.9 | 0 | 0 | 0 | 112.4 | F635 P642 M645 I647 F684 | F635-Y680 HydrophobicContact CE1-CD1 4.17Å; F635-Y680 HydrophobicContact CE1-CG 4.16Å; F635-Y680 AromaticContact CZ-CD1 3.74Å; F635-Y680 HydrophobicContact CZ-CD1 3.74Å; F635-Y680 AromaticContact CZ-CG 3.92Å; F635-Y680 HydrophobicContact CZ-CG 3.92Å; P642-Y680 PolarHBondContact O-N 3.46Å; M645-Y680 HydrophobicContact CB-CD2 4.13Å; M645-Y680 HydrophobicContact CB-CE2 4.49Å; M645-Y680 HydrophobicContact CE-CD2 3.76Å; M645-Y680 HydrophobicContact CE-CE2 3.37Å; M645-Y680 HydrophobicContact CG-CD2 4.25Å; M645-Y680 HydrophobicContact CG-CE2 4.11Å; M645-Y680 WeakPolarHBondContact O-CD2 3.41Å; M645-Y680 PolarHBondContact O-N 3.29Å; I647-Y680 HydrophobicContact CB-CE2 4.33Å; I647-Y680 HydrophobicContact CD1-CG 4.39Å; I647-Y680 HydrophobicContact CG1-CD1 3.93Å; I647-Y680 HydrophobicContact CG1-CD2 3.62Å; I647-Y680 HydrophobicContact CG1-CE1 3.99Å; I647-Y680 HydrophobicContact CG1-CE2 3.64Å; I647-Y680 HydrophobicContact CG1-CG 3.76Å; Y680-F684 WeakPolarHBondContact O-CB 3.2Å; Y680-F684 PolarHBondContact O-N 2.79Å; Y680-F684 VanDerWaalsContact O-N 3.09Å |
| 681 | K | 85.7 | Confident | 76.1 | Confident | 47 Ų | 47 | 72.4 Ų | 72.4 | 20% | 0.204 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.2 | -50.8 | 175.1 | -179.6 | 52.7 | 174.2 | 148.2 | 0 | 112.2 | F631 P642 T679 R683 F684 D685 | F631-K681 HydrophobicContact CE1-CB 4.42Å; F631-K681 HydrophobicContact CE1-CD 3.95Å; F631-K681 HydrophobicContact CZ-CB 4.45Å; P642-K681 HydrophobicContact CB-CB 4.47Å; P642-K681 WeakPolarHBondContact O-CB 3.29Å; P642-K681 PolarHBondContact O-N 3.15Å; T679-K681 PolarHBondContact O-N 3.31Å; K681-R683 VanDerWaalsContact C-N 3.32Å; K681-R683 PolarHBondContact O-N 3.44Å; K681-F684 PolarHBondContact O-N 2.9Å; K681-F684 VanDerWaalsContact O-N 3.12Å; K681-D685 VanDerWaalsContact CD-OD2 3.27Å; K681-D685 WeakPolarHBondContact CD-OD2 3.42Å; K681-D685 WeakPolarHBondContact CE-OD2 3.45Å; K681-D685 IonicContact NZ-OD1 3.4Å; K681-D685 PolarHBondContact NZ-OD1 2.88Å; K681-D685 IonicContact NZ-OD2 2.77Å; K681-D685 PolarHBondContact NZ-OD2 3.01Å; K681-D685 PolarHBondContact O-N 3.33Å |
| 682 | Q | 85.7 | Confident | 78.1 | Confident | 110 Ų | 110 | 70.7 Ų | 70.7 | 51% | 0.514 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -56.1 | -44.2 | 177.2 | -72.9 | 168.8 | -20.9 | 0 | 0 | 112.2 | E678 T679 F684 D685 R686 | E678-Q682 HydrophobicContact CB-CB 4.44Å; T679-Q682 PolarHBondContact O-N 2.98Å; T679-Q682 VanDerWaalsContact O-N 3.12Å; T679-Q682 WeakPolarHBondContact OG1-CG 3.27Å; T679-Q682 PolarHBondContact OG1-N 2.77Å; T679-Q682 PolarHBondContact OG1-OE1 2.86Å; Q682-F684 PolarHBondContact O-N 3.27Å; Q682-D685 PolarHBondContact O-N 3.05Å; Q682-R686 WeakPolarHBondContact O-CB 2.76Å; Q682-R686 PolarHBondContact O-N 2.99Å |
| 683 | R | 83.6 | Confident | 80 | Confident | 55 Ų | 55 | 69.3 Ų | 69.3 | 21% | 0.208 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.2 | -37.9 | 177.5 | -176.8 | 175.5 | -171.1 | -169.6 | 13.9 | 112.9 | I647 E678 T679 K681 R687 | I647-R683 HydrophobicContact CD1-CB 3.46Å; I647-R683 VanDerWaalsContact CD1-CB 3.46Å; I647-R683 HydrophobicContact CD1-CG 4.04Å; E678-R683 HydrophobicContact CG-CB 4.38Å; E678-R683 WeakPolarHBondContact OE1-CB 3.41Å; E678-R683 WeakPolarHBondContact OE1-CD 3.4Å; E678-R683 VanDerWaalsContact OE1-CG 3.23Å; E678-R683 WeakPolarHBondContact OE1-CG 3.47Å; E678-R683 IonicContact OE1-NE 3.87Å; T679-R683 PolarHBondContact O-N 3.1Å; K681-R683 VanDerWaalsContact C-N 3.32Å; K681-R683 PolarHBondContact O-N 3.44Å; R683-R687 VanDerWaalsContact O-CB 3.29Å; R683-R687 WeakPolarHBondContact O-CB 3.44Å; R683-R687 WeakPolarHBondContact O-CD 3.23Å; R683-R687 WeakPolarHBondContact O-CG 3.46Å; R683-R687 PolarHBondContact O-N 2.86Å; R683-R687 VanDerWaalsContact O-N 3.1Å |
| 684 | F | 88.5 | Confident | 81.8 | Confident | 8 Ų | 8 | 65.1 Ų | 65.1 | 4% | 0.035 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.8 | -49.6 | 176.1 | 168 | -94.8 | 0 | 0 | 0 | 110.6 | P362 C363 L627 L628 F631 Y680 K681 Q682 R687 L688 | P362-F684 HydrophobicContact CB-CE2 4.45Å; P362-F684 HydrophobicContact CG-CE2 4.37Å; C363-F684 HydrophobicContact CB-CD2 4.48Å; C363-F684 HydrophobicContact CB-CE2 3.85Å; C363-F684 VanDerWaalsContact SG-CD2 3.58Å; C363-F684 VanDerWaalsContact SG-CE2 3.56Å; L627-F684 HydrophobicContact CB-CZ 3.98Å; L628-F684 HydrophobicContact CD2-CD1 4.41Å; L628-F684 HydrophobicContact CD2-CE1 3.67Å; L628-F684 HydrophobicContact CG-CE1 4.29Å; F631-F684 HydrophobicContact CB-CD2 4.22Å; F631-F684 HydrophobicContact CB-CE1 4.49Å; F631-F684 HydrophobicContact CB-CE2 4.08Å; F631-F684 HydrophobicContact CB-CG 4.48Å; F631-F684 HydrophobicContact CB-CZ 4.21Å; F631-F684 HydrophobicContact CD1-CD1 4.42Å; F631-F684 HydrophobicContact CD1-CG 4.46Å; F631-F684 HydrophobicContact CD2-CB 3.77Å; F631-F684 HydrophobicContact CD2-CD1 4.29Å; F631-F684 AromaticContact CD2-CD2 3.58Å; F631-F684 HydrophobicContact CD2-CD2 3.58Å; F631-F684 HydrophobicContact CD2-CE2 4.29Å; F631-F684 AromaticContact CD2-CG 3.58Å; F631-F684 HydrophobicContact CD2-CG 3.58Å; F631-F684 HydrophobicContact CE2-CB 3.47Å; F631-F684 VanDerWaalsContact CE2-CB 3.47Å; F631-F684 HydrophobicContact CE2-CD2 4.2Å; F631-F684 AromaticContact CE2-CG 3.85Å; F631-F684 HydrophobicContact CE2-CG 3.85Å; F631-F684 HydrophobicContact CG-CB 4.44Å; F631-F684 HydrophobicContact CG-CD1 4.18Å; F631-F684 HydrophobicContact CG-CD2 4.02Å; F631-F684 HydrophobicContact CG-CE2 4.36Å; F631-F684 AromaticContact CG-CG 3.92Å; F631-F684 HydrophobicContact CG-CG 3.92Å; F631-F684 HydrophobicContact CZ-CB 3.95Å; F631-F684 HydrophobicContact CZ-CG 4.41Å; Y680-F684 WeakPolarHBondContact O-CB 3.2Å; Y680-F684 PolarHBondContact O-N 2.79Å; Y680-F684 VanDerWaalsContact O-N 3.09Å; K681-F684 PolarHBondContact O-N 2.9Å; K681-F684 VanDerWaalsContact O-N 3.12Å; Q682-F684 PolarHBondContact O-N 3.27Å; F684-R687 PolarHBondContact O-N 2.82Å; F684-L688 HydrophobicContact CE1-CD2 4.11Å; F684-L688 HydrophobicContact CZ-CD2 3.97Å; F684-L688 WeakPolarHBondContact O-CB 3.18Å; F684-L688 PolarHBondContact O-N 3.15Å |
| 685 | D | 88.7 | Confident | 83.7 | Confident | 61 Ų | 61 | 61 Ų | 61 | 33% | 0.326 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63 | -45.9 | -178.6 | -67 | -34.5 | 0 | 0 | 0 | 111.4 | K681 Q682 R687 L688 Q689 | K681-D685 VanDerWaalsContact CD-OD2 3.27Å; K681-D685 WeakPolarHBondContact CD-OD2 3.42Å; K681-D685 WeakPolarHBondContact CE-OD2 3.45Å; K681-D685 IonicContact NZ-OD1 3.4Å; K681-D685 PolarHBondContact NZ-OD1 2.88Å; K681-D685 IonicContact NZ-OD2 2.77Å; K681-D685 PolarHBondContact NZ-OD2 3.01Å; K681-D685 PolarHBondContact O-N 3.33Å; Q682-D685 PolarHBondContact O-N 3.05Å; D685-R687 PolarHBondContact O-N 3.27Å; D685-L688 PolarHBondContact O-N 3.07Å; D685-Q689 WeakPolarHBondContact O-CB 3.45Å; D685-Q689 PolarHBondContact O-N 3.2Å |
| 686 | R | 87.7 | Confident | 85.2 | Confident | 94 Ų | 94 | 56.5 Ų | 56.5 | 36% | 0.355 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -56.5 | -49.6 | 174 | -170.5 | -172.3 | 66.2 | -133.4 | -23.1 | 111.5 | E678 Q682 L688 Q689 E690 | E678-R686 IonicContact OE1-CZ 2.71Å; E678-R686 IonicContact OE1-NH1 3.44Å; E678-R686 IonicContact OE1-NH2 3.83Å; E678-R686 PolarHBondContact OE1-NH2 2.81Å; E678-R686 IonicContact OE2-CZ 2.68Å; E678-R686 IonicContact OE2-NH1 2.99Å; E678-R686 PolarHBondContact OE2-NH1 3.13Å; E678-R686 IonicContact OE2-NH2 2.97Å; E678-R686 PolarHBondContact OE2-NH2 3.37Å; Q682-R686 WeakPolarHBondContact O-CB 2.76Å; Q682-R686 PolarHBondContact O-N 2.99Å; R686-L688 VanDerWaalsContact C-N 3.31Å; R686-L688 PolarHBondContact O-N 2.98Å; R686-Q689 PolarHBondContact O-N 3.43Å; R686-E690 VanDerWaalsContact CD-OE1 3.24Å; R686-E690 WeakPolarHBondContact CD-OE1 3.44Å; R686-E690 HydrophobicContact CG-CG 4.27Å; R686-E690 VanDerWaalsContact CG-OE1 3.29Å; R686-E690 WeakPolarHBondContact CG-OE1 3.2Å; R686-E690 IonicContact NE-OE1 2.7Å; R686-E690 PolarHBondContact NE-OE1 3.13Å; R686-E690 WeakPolarHBondContact O-CB 3.33Å; R686-E690 VanDerWaalsContact O-CG 3.3Å; R686-E690 WeakPolarHBondContact O-CG 3.46Å; R686-E690 PolarHBondContact O-N 2.93Å |
| 687 | R | 88.6 | Confident | 86.6 | Confident | 116 Ų | 116 | 48.9 Ų | 48.9 | 44% | 0.438 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.6 | -33.3 | -179.4 | -78.7 | 174.7 | 163.4 | -168.1 | -11 | 113.4 | P362 R683 F684 D685 Y691 | P362-R687 HydrophobicContact CG-CB 4.38Å; R683-R687 VanDerWaalsContact O-CB 3.29Å; R683-R687 WeakPolarHBondContact O-CB 3.44Å; R683-R687 WeakPolarHBondContact O-CD 3.23Å; R683-R687 WeakPolarHBondContact O-CG 3.46Å; R683-R687 PolarHBondContact O-N 2.86Å; R683-R687 VanDerWaalsContact O-N 3.1Å; F684-R687 PolarHBondContact O-N 2.82Å; D685-R687 PolarHBondContact O-N 3.27Å; R687-Y691 VanDerWaalsContact O-CB 3.26Å; R687-Y691 WeakPolarHBondContact O-CB 3.36Å; R687-Y691 PolarHBondContact O-N 3.07Å; R687-Y691 VanDerWaalsContact O-N 3.14Å |
| 688 | L | 91.1 | Very high | 87.7 | Confident | 15 Ų | 15 | 50.9 Ų | 50.9 | 8% | 0.079 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.8 | -46.1 | 175.3 | 179.9 | 56.1 | 0 | 0 | 0 | 110 | P361 P362 N624 L627 F684 D685 R686 Y691 R692 | P361-L688 HydrophobicContact CB-CD1 4.06Å; P362-L688 HydrophobicContact CG-CB 3.98Å; P362-L688 HydrophobicContact CG-CD1 4.16Å; N624-L688 HydrophobicContact CB-CD2 4.47Å; L627-L688 HydrophobicContact CD1-CD1 3.52Å; L627-L688 HydrophobicContact CD1-CD2 4.23Å; F684-L688 HydrophobicContact CE1-CD2 4.11Å; F684-L688 HydrophobicContact CZ-CD2 3.97Å; F684-L688 WeakPolarHBondContact O-CB 3.18Å; F684-L688 PolarHBondContact O-N 3.15Å; D685-L688 PolarHBondContact O-N 3.07Å; R686-L688 VanDerWaalsContact C-N 3.31Å; R686-L688 PolarHBondContact O-N 2.98Å; L688-Y691 PolarHBondContact O-N 3.02Å; L688-R692 HydrophobicContact CD1-CG 4.24Å; L688-R692 VanDerWaalsContact O-CG 3.3Å; L688-R692 WeakPolarHBondContact O-CG 3.45Å; L688-R692 PolarHBondContact O-N 3.44Å |
| 689 | Q | 89.6 | Confident | 88.3 | Confident | 103 Ų | 103 | 50 Ų | 50 | 48% | 0.481 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.8 | -49.5 | 177 | -171.9 | 177.6 | -11.1 | 0 | 0 | 112.1 | D685 R686 Y691 R692 S693 L804 | D685-Q689 WeakPolarHBondContact O-CB 3.45Å; D685-Q689 PolarHBondContact O-N 3.2Å; R686-Q689 PolarHBondContact O-N 3.43Å; Q689-Y691 VanDerWaalsContact C-N 3.27Å; Q689-Y691 PolarHBondContact O-N 2.76Å; Q689-R692 PolarHBondContact O-N 2.96Å; Q689-R692 VanDerWaalsContact O-N 3.17Å; Q689-S693 PolarHBondContact O-N 3.37Å; Q689-S693 PolarHBondContact O-OG 3.46Å; Q689-S693 VanDerWaalsContact O-OG 3.12Å; Q689-L804 HydrophobicContact CG-CD1 4.4Å |
| 690 | E | 88.8 | Confident | 88.4 | Confident | 90 Ų | 90 | 50.2 Ų | 50.2 | 42% | 0.421 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -52.1 | -44.4 | 173.4 | -76.4 | 169.4 | -167.7 | 0 | 0 | 111.8 | R686 S693 V694 | R686-E690 VanDerWaalsContact CD-OE1 3.24Å; R686-E690 WeakPolarHBondContact CD-OE1 3.44Å; R686-E690 HydrophobicContact CG-CG 4.27Å; R686-E690 VanDerWaalsContact CG-OE1 3.29Å; R686-E690 WeakPolarHBondContact CG-OE1 3.2Å; R686-E690 IonicContact NE-OE1 2.7Å; R686-E690 PolarHBondContact NE-OE1 3.13Å; R686-E690 WeakPolarHBondContact O-CB 3.33Å; R686-E690 VanDerWaalsContact O-CG 3.3Å; R686-E690 WeakPolarHBondContact O-CG 3.46Å; R686-E690 PolarHBondContact O-N 2.93Å; E690-S693 WeakPolarHBondContact CA-OG 3.26Å; E690-S693 PolarHBondContact O-OG 3.33Å; E690-V694 WeakPolarHBondContact O-CG2 3.49Å; E690-V694 PolarHBondContact O-N 3.35Å; E690-V694 VanDerWaalsContact O-N 3.15Å |
| 691 | Y | 91.3 | Very high | 88.8 | Confident | 29 Ų | 29 | 52.2 Ų | 52.2 | 11% | 0.114 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66 | -47.1 | 178.3 | 175.8 | -89 | 0 | 0 | 0 | 111.8 | G360 P361 Y619 R687 L688 Q689 S693 V694 M695 | G360-Y691 VanDerWaalsContact C-CE2 3.5Å; G360-Y691 VanDerWaalsContact C-OH 3.24Å; G360-Y691 WeakPolarHBondContact CA-OH 3.24Å; G360-Y691 PolarHBondContact N-OH 3.34Å; G360-Y691 VanDerWaalsContact O-CE2 3.3Å; G360-Y691 WeakPolarHBondContact O-CE2 3.34Å; P361-Y691 HydrophobicContact CB-CD1 3.67Å; P361-Y691 HydrophobicContact CB-CE1 3.62Å; P361-Y691 HydrophobicContact CB-CG 4.37Å; P361-Y691 HydrophobicContact CG-CE1 4.21Å; Y619-Y691 WeakPolarHBondContact CE2-OH 3.29Å; Y619-Y691 PolarHBondContact OH-OH 2.97Å; R687-Y691 VanDerWaalsContact O-CB 3.26Å; R687-Y691 WeakPolarHBondContact O-CB 3.36Å; R687-Y691 PolarHBondContact O-N 3.07Å; R687-Y691 VanDerWaalsContact O-N 3.14Å; L688-Y691 PolarHBondContact O-N 3.02Å; Q689-Y691 VanDerWaalsContact C-N 3.27Å; Q689-Y691 PolarHBondContact O-N 2.76Å; Y691-S693 VanDerWaalsContact C-N 3.32Å; Y691-S693 PolarHBondContact O-N 3.44Å; Y691-V694 PolarHBondContact O-N 3Å; Y691-M695 HydrophobicContact CD1-CG 4.18Å; Y691-M695 HydrophobicContact CD2-CG 4.46Å; Y691-M695 HydrophobicContact CE1-CG 3.66Å; Y691-M695 HydrophobicContact CE2-CG 3.99Å; Y691-M695 HydrophobicContact CE2-SD 4.26Å; Y691-M695 VanDerWaalsContact O-CG 3.31Å; Y691-M695 WeakPolarHBondContact O-CG 3.36Å; Y691-M695 PolarHBondContact O-N 2.67Å |
| 692 | R | 92.1 | Very high | 88.8 | Confident | 9 Ų | 9 | 55.2 Ų | 55.2 | 3% | 0.034 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 179 | -66.2 | -65.2 | -174.1 | -164.1 | 6.9 | 111.6 | G622 N624 L688 Q689 M695 A696 L804 E806 | G622-R692 PolarHBondContact O-NH2 3.42Å; N624-R692 PolarHBondContact OD1-NE 3.34Å; N624-R692 VanDerWaalsContact OD1-NE 3.13Å; N624-R692 PolarHBondContact OD1-NH2 3Å; L688-R692 HydrophobicContact CD1-CG 4.24Å; L688-R692 VanDerWaalsContact O-CG 3.3Å; L688-R692 WeakPolarHBondContact O-CG 3.45Å; L688-R692 PolarHBondContact O-N 3.44Å; Q689-R692 PolarHBondContact O-N 2.96Å; Q689-R692 VanDerWaalsContact O-N 3.17Å; R692-M695 PolarHBondContact O-N 2.89Å; R692-A696 PolarHBondContact O-N 3.5Å; R692-A696 VanDerWaalsContact O-N 3.16Å; R692-L804 HydrophobicContact CB-CB 3.89Å; R692-L804 HydrophobicContact CB-CD1 3.85Å; R692-E806 PolarHBondContact NH1-O 3.49Å |
| 693 | S | 91 | Very high | 88.8 | Confident | 39 Ų | 39 | 53.3 Ų | 53.3 | 27% | 0.273 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -69.5 | -34.6 | 178.8 | 51.8 | 0 | 0 | 0 | 0 | 113.2 | Q689 E690 Y691 A696 P697 | Q689-S693 PolarHBondContact O-N 3.37Å; Q689-S693 PolarHBondContact O-OG 3.46Å; Q689-S693 VanDerWaalsContact O-OG 3.12Å; E690-S693 WeakPolarHBondContact CA-OG 3.26Å; E690-S693 PolarHBondContact O-OG 3.33Å; Y691-S693 VanDerWaalsContact C-N 3.32Å; Y691-S693 PolarHBondContact O-N 3.44Å; S693-A696 CarbonylContact O-C 3.54Å; S693-P697 WeakPolarHBondContact O-CA 3.3Å |
| 694 | V | 90.8 | Very high | 88.9 | Confident | 51 Ų | 51 | 53.5 Ų | 53.5 | 31% | 0.309 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -72.6 | -32.2 | 176.5 | 165.4 | 0 | 0 | 0 | 0 | 112.1 | K580 T581 E690 Y691 | K580-V694 WeakPolarHBondContact O-CG1 3.4Å; T581-V694 HydrophobicContact CG2-CG1 3.58Å; T581-V694 HydrophobicContact CG2-CG2 4.23Å; E690-V694 WeakPolarHBondContact O-CG2 3.49Å; E690-V694 PolarHBondContact O-N 3.35Å; E690-V694 VanDerWaalsContact O-N 3.15Å; Y691-V694 PolarHBondContact O-N 3Å |
| 695 | M | 90.8 | Very high | 88.7 | Confident | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.02 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -79.1 | -20.9 | 178.2 | -68.2 | -61.8 | -50.1 | 0 | 0 | 113.4 | Y619 Y691 R692 P808 N814 V815 L816 | Y619-M695 HydrophobicContact CE2-CE 3.94Å; Y691-M695 HydrophobicContact CD1-CG 4.18Å; Y691-M695 HydrophobicContact CD2-CG 4.46Å; Y691-M695 HydrophobicContact CE1-CG 3.66Å; Y691-M695 HydrophobicContact CE2-CG 3.99Å; Y691-M695 HydrophobicContact CE2-SD 4.26Å; Y691-M695 VanDerWaalsContact O-CG 3.31Å; Y691-M695 WeakPolarHBondContact O-CG 3.36Å; Y691-M695 PolarHBondContact O-N 2.67Å; R692-M695 PolarHBondContact O-N 2.89Å; M695-P808 HydrophobicContact CB-CG 3.74Å; M695-P808 HydrophobicContact CE-CG 4Å; M695-P808 VanDerWaalsContact O-CB 3.27Å; M695-P808 WeakPolarHBondContact O-CB 3.14Å; M695-P808 WeakPolarHBondContact O-CG 3.3Å; M695-N814 HydrophobicContact CE-CB 4.29Å; M695-N814 WeakPolarHBondContact CE-OD1 3.31Å; M695-N814 WeakPolarHBondContact O-CB 3.38Å; M695-V815 HydrophobicContact CE-CG1 4.32Å; M695-V815 HydrophobicContact SD-CG1 3.81Å; M695-L816 HydrophobicContact CE-CD1 4.09Å; M695-L816 HydrophobicContact CE-CG 4.11Å |
| 696 | A | 90.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -136.2 | 71.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | R692 S693 N698 A699 A700 P805 E812 | R692-A696 PolarHBondContact O-N 3.5Å; R692-A696 VanDerWaalsContact O-N 3.16Å; S693-A696 CarbonylContact O-C 3.54Å; A696-N698 PolarHBondContact O-N 3.48Å; A696-A699 HydrophobicContact CB-CB 4.05Å; A696-A699 PolarHBondContact O-N 3.45Å; A696-A700 WeakPolarHBondContact O-CB 3.48Å; A696-A700 PolarHBondContact O-N 3.38Å; A696-P805 HydrophobicContact CB-CG 3.62Å; A696-E812 WeakPolarHBondContact CA-OE1 3.49Å; A696-E812 HydrophobicContact CB-CG 4.25Å; A696-E812 WeakPolarHBondContact CB-OE1 3.33Å | ||
| 697 | P | 89 | Confident | 88.1 | Confident | 37 Ų | 37 | 55.9 Ų | 55.9 | 24% | 0.24 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.2 | -35.5 | -173 | 25.2 | -35.2 | 0 | 0 | 0 | 113.7 | S693 A700 N701 E812 E813 | S693-P697 WeakPolarHBondContact O-CA 3.3Å; P697-A700 PolarHBondContact O-N 2.78Å; P697-N701 WeakPolarHBondContact O-CB 3.46Å; P697-N701 PolarHBondContact O-N 3.02Å; P697-N701 PolarHBondContact O-ND2 3.39Å; P697-E812 WeakPolarHBondContact CD-OE2 3.47Å; P697-E813 WeakPolarHBondContact CG-O 3.46Å |
| 698 | N | 88.7 | Confident | 87.8 | Confident | 84 Ų | 84 | 54.9 Ų | 54.9 | 45% | 0.449 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -68.1 | -45.8 | 178.3 | -63.2 | -45.9 | 0 | 0 | 0 | 110.6 | A696 A700 N701 L702 E812 | A696-N698 PolarHBondContact O-N 3.48Å; N698-A700 VanDerWaalsContact C-N 3.27Å; N698-A700 PolarHBondContact O-N 3.34Å; N698-N701 PolarHBondContact O-N 3.14Å; N698-L702 WeakPolarHBondContact O-CG 3.33Å; N698-L702 PolarHBondContact O-N 3.26Å; N698-E812 VanDerWaalsContact CB-OE2 3.22Å; N698-E812 WeakPolarHBondContact CB-OE2 3.47Å; N698-E812 PolarHBondContact N-OE1 2.86Å; N698-E812 PolarHBondContact N-OE2 2.66Å; N698-E812 PolarHBondContact ND2-OE2 2.87Å |
| 699 | A | 87.5 | Confident | 87.2 | Confident | 27 Ų | 27 | 59.5 Ų | 59.5 | 22% | 0.223 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.6 | -36.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A696 R703 L804 P805 E812 | A696-A699 HydrophobicContact CB-CB 4.05Å; A696-A699 PolarHBondContact O-N 3.45Å; A699-R703 VanDerWaalsContact O-CB 3.26Å; A699-R703 WeakPolarHBondContact O-CB 3.15Å; A699-R703 PolarHBondContact O-N 2.84Å; A699-L804 HydrophobicContact CB-CD2 4.41Å; A699-P805 HydrophobicContact CB-CG 4.16Å; A699-E812 WeakPolarHBondContact CB-OE1 3.48Å; A699-E812 PolarHBondContact N-OE1 3.27Å |
| 700 | A | 86.9 | Confident | 86.3 | Confident | 19 Ų | 19 | 54.9 Ų | 54.9 | 16% | 0.157 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.6 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A696 P697 N698 R703 S704 L804 | A696-A700 WeakPolarHBondContact O-CB 3.48Å; A696-A700 PolarHBondContact O-N 3.38Å; P697-A700 PolarHBondContact O-N 2.78Å; N698-A700 VanDerWaalsContact C-N 3.27Å; N698-A700 PolarHBondContact O-N 3.34Å; A700-R703 PolarHBondContact O-N 3Å; A700-S704 PolarHBondContact O-N 2.98Å; A700-L804 HydrophobicContact CB-CD2 3.97Å |
| 701 | N | 87.8 | Confident | 85.5 | Confident | 98 Ų | 98 | 54.4 Ų | 54.4 | 52% | 0.524 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.5 | -47.3 | 176.1 | -71.8 | -24.3 | 0 | 0 | 0 | 111.1 | P697 N698 R703 S704 I705 | P697-N701 WeakPolarHBondContact O-CB 3.46Å; P697-N701 PolarHBondContact O-N 3.02Å; P697-N701 PolarHBondContact O-ND2 3.39Å; N698-N701 PolarHBondContact O-N 3.14Å; N701-R703 VanDerWaalsContact C-N 3.31Å; N701-R703 PolarHBondContact O-N 3.43Å; N701-S704 WeakPolarHBondContact O-CB 3.32Å; N701-S704 PolarHBondContact O-N 3.26Å; N701-S704 VanDerWaalsContact O-N 3.15Å; N701-I705 WeakPolarHBondContact O-CG1 3.31Å; N701-I705 PolarHBondContact O-N 2.74Å |
| 702 | L | 86.2 | Confident | 84.5 | Confident | 111 Ų | 111 | 56.1 Ų | 56.1 | 58% | 0.581 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -58.3 | -43.1 | 174.2 | -71.4 | 172 | 0 | 0 | 0 | 111.8 | N698 S704 I705 L706 | N698-L702 WeakPolarHBondContact O-CG 3.33Å; N698-L702 PolarHBondContact O-N 3.26Å; L702-S704 VanDerWaalsContact C-N 3.34Å; L702-S704 PolarHBondContact O-N 2.86Å; L702-I705 PolarHBondContact O-N 2.87Å; L702-L706 WeakPolarHBondContact O-CG 3.11Å; L702-L706 PolarHBondContact O-N 3.23Å |
| 703 | R | 85.8 | Confident | 83.1 | Confident | 69 Ų | 69 | 59 Ų | 59 | 26% | 0.26 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.6 | -35.4 | 176.5 | -174.1 | 170.9 | -176 | -81.4 | 1.5 | 112.7 | A699 A700 N701 M707 I801 | A699-R703 VanDerWaalsContact O-CB 3.26Å; A699-R703 WeakPolarHBondContact O-CB 3.15Å; A699-R703 PolarHBondContact O-N 2.84Å; A700-R703 PolarHBondContact O-N 3Å; N701-R703 VanDerWaalsContact C-N 3.31Å; N701-R703 PolarHBondContact O-N 3.43Å; R703-M707 WeakPolarHBondContact O-CB 3.5Å; R703-M707 WeakPolarHBondContact O-CG 3.16Å; R703-M707 PolarHBondContact O-N 3.44Å; R703-M707 VanDerWaalsContact O-N 3.09Å; R703-I801 HydrophobicContact CG-CG2 3.78Å |
| 704 | S | 85.1 | Confident | 81.3 | Confident | 59 Ų | 59 | 62 Ų | 62 | 41% | 0.413 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.1 | -50.5 | 172.8 | -161.3 | 0 | 0 | 0 | 0 | 110.6 | A700 N701 L702 L706 M707 D708 | A700-S704 PolarHBondContact O-N 2.98Å; N701-S704 WeakPolarHBondContact O-CB 3.32Å; N701-S704 PolarHBondContact O-N 3.26Å; N701-S704 VanDerWaalsContact O-N 3.15Å; L702-S704 VanDerWaalsContact C-N 3.34Å; L702-S704 PolarHBondContact O-N 2.86Å; S704-L706 VanDerWaalsContact C-N 3.3Å; S704-L706 PolarHBondContact O-N 3.08Å; S704-M707 WeakPolarHBondContact O-CB 3.27Å; S704-M707 PolarHBondContact O-N 3.03Å; S704-D708 VanDerWaalsContact O-CG 3.27Å; S704-D708 PolarHBondContact O-N 3.12Å; S704-D708 VanDerWaalsContact O-OD2 3.13Å; S704-D708 PolarHBondContact OG-OD2 3.32Å |
| 705 | I | 85.1 | Confident | 79.4 | Confident | 104 Ų | 104 | 61.2 Ų | 61.2 | 53% | 0.533 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.1 | -44.6 | 179.6 | -65.8 | 162.5 | 0 | 0 | 0 | 111.1 | N701 L702 D708 E709 | N701-I705 WeakPolarHBondContact O-CG1 3.31Å; N701-I705 PolarHBondContact O-N 2.74Å; L702-I705 PolarHBondContact O-N 2.87Å; I705-D708 PolarHBondContact O-N 3.17Å; I705-E709 WeakPolarHBondContact O-CB 3.41Å; I705-E709 PolarHBondContact O-N 3.29Å |
| 706 | L | 83.1 | Confident | 77.3 | Confident | 67 Ų | 67 | 66.8 Ų | 66.8 | 35% | 0.351 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.6 | -35 | 177.4 | -69.2 | 171.5 | 0 | 0 | 0 | 113.2 | L702 S704 A710 I801 | L702-L706 WeakPolarHBondContact O-CG 3.11Å; L702-L706 PolarHBondContact O-N 3.23Å; S704-L706 VanDerWaalsContact C-N 3.3Å; S704-L706 PolarHBondContact O-N 3.08Å; L706-A710 WeakPolarHBondContact O-CB 3.46Å; L706-A710 PolarHBondContact O-N 3.15Å; L706-I801 HydrophobicContact CB-CD1 4.08Å; L706-I801 HydrophobicContact CB-CG1 4.14Å; L706-I801 HydrophobicContact CB-CG2 4.19Å; L706-I801 HydrophobicContact CD1-CG2 4.26Å |
| 707 | M | 80.9 | Confident | 75.1 | Confident | 43 Ų | 43 | 67.9 Ų | 67.9 | 21% | 0.212 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -69.3 | -43.1 | 174.1 | -73.4 | -78.1 | 174.1 | 0 | 0 | 111.2 | R703 S704 E709 A710 N711 L798 I801 | R703-M707 WeakPolarHBondContact O-CB 3.5Å; R703-M707 WeakPolarHBondContact O-CG 3.16Å; R703-M707 PolarHBondContact O-N 3.44Å; R703-M707 VanDerWaalsContact O-N 3.09Å; S704-M707 WeakPolarHBondContact O-CB 3.27Å; S704-M707 PolarHBondContact O-N 3.03Å; M707-E709 VanDerWaalsContact C-N 3.35Å; M707-A710 PolarHBondContact O-N 3.39Å; M707-N711 WeakPolarHBondContact O-CB 3.43Å; M707-N711 PolarHBondContact O-N 2.92Å; M707-N711 PolarHBondContact O-ND2 3.07Å; M707-N711 VanDerWaalsContact O-ND2 3.11Å; M707-L798 HydrophobicContact CE-CD2 4.39Å; M707-L798 HydrophobicContact SD-CD2 3.61Å; M707-I801 HydrophobicContact CE-CB 4.22Å; M707-I801 HydrophobicContact CE-CD1 3.71Å; M707-I801 HydrophobicContact CE-CG2 4.09Å; M707-I801 HydrophobicContact CG-CD1 3.93Å; M707-I801 HydrophobicContact SD-CD1 3.68Å |
| 708 | D | 81.2 | Confident | 72.8 | Confident | 94 Ų | 94 | 72.2 Ų | 72.2 | 50% | 0.503 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.2 | -37.3 | 177.6 | -65 | -36.3 | 0 | 0 | 0 | 111.3 | S704 I705 N711 S712 | S704-D708 VanDerWaalsContact O-CG 3.27Å; S704-D708 PolarHBondContact O-N 3.12Å; S704-D708 VanDerWaalsContact O-OD2 3.13Å; S704-D708 PolarHBondContact OG-OD2 3.32Å; I705-D708 PolarHBondContact O-N 3.17Å; D708-N711 PolarHBondContact O-N 2.92Å; D708-S712 WeakPolarHBondContact O-CB 3.36Å; D708-S712 PolarHBondContact O-N 3.33Å |
| 709 | E | 78.3 | Confident | 70.5 | Confident | 113 Ų | 113 | 74 Ų | 74 | 53% | 0.528 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.7 | -45.8 | 171.7 | -174.6 | 176 | -170.8 | 0 | 0 | 111.8 | I705 M707 N711 S712 L713 | I705-E709 WeakPolarHBondContact O-CB 3.41Å; I705-E709 PolarHBondContact O-N 3.29Å; M707-E709 VanDerWaalsContact C-N 3.35Å; E709-N711 VanDerWaalsContact C-N 3.34Å; E709-N711 PolarHBondContact O-N 2.92Å; E709-S712 PolarHBondContact O-N 3.43Å; E709-L713 WeakPolarHBondContact O-CG 3.49Å; E709-L713 PolarHBondContact O-N 2.9Å |
| 710 | A | 72.4 | Confident | 68.4 | Low | 6 Ų | 6 | 78.7 Ų | 78.7 | 5% | 0.05 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | L706 M707 L794 L798 I801 | L706-A710 WeakPolarHBondContact O-CB 3.46Å; L706-A710 PolarHBondContact O-N 3.15Å; M707-A710 PolarHBondContact O-N 3.39Å; A710-L794 WeakPolarHBondContact O-CD2 3.35Å; A710-L798 HydrophobicContact CB-CD2 3.93Å; A710-I801 HydrophobicContact CB-CD1 4.47Å |
| 711 | N | 72.2 | Confident | 66.5 | Low | 80 Ų | 80 | 81.1 Ų | 81.1 | 43% | 0.428 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -70.1 | -38.2 | 176.9 | -66.1 | -27.7 | 0 | 0 | 0 | 112.3 | M707 D708 E709 L713 Q714 | M707-N711 WeakPolarHBondContact O-CB 3.43Å; M707-N711 PolarHBondContact O-N 2.92Å; M707-N711 PolarHBondContact O-ND2 3.07Å; M707-N711 VanDerWaalsContact O-ND2 3.11Å; D708-N711 PolarHBondContact O-N 2.92Å; E709-N711 VanDerWaalsContact C-N 3.34Å; E709-N711 PolarHBondContact O-N 2.92Å; N711-L713 VanDerWaalsContact C-N 3.27Å; N711-L713 PolarHBondContact O-N 2.98Å; N711-Q714 WeakPolarHBondContact O-CB 3.22Å; N711-Q714 PolarHBondContact O-N 3.46Å |
| 712 | S | 69 | Low | 64.3 | Low | 65 Ų | 65 | 81.5 Ų | 81.5 | 46% | 0.455 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.3 | -35.5 | 178.6 | -172.3 | 0 | 0 | 0 | 0 | 112.4 | D708 E709 Q714 G715 K716 | D708-S712 WeakPolarHBondContact O-CB 3.36Å; D708-S712 PolarHBondContact O-N 3.33Å; E709-S712 PolarHBondContact O-N 3.43Å; S712-Q714 PolarHBondContact O-N 3.5Å; S712-G715 PolarHBondContact O-N 2.98Å; S712-K716 PolarHBondContact O-N 2.93Å |
| 713 | L | 62.8 | Low | 62.2 | Low | 70 Ų | 70 | 82.4 Ų | 82.4 | 37% | 0.366 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.3 | -28 | 175.2 | -71.3 | 162.5 | 0 | 0 | 0 | 113 | E709 N711 G715 K716 S717 K797 | E709-L713 WeakPolarHBondContact O-CG 3.49Å; E709-L713 PolarHBondContact O-N 2.9Å; N711-L713 VanDerWaalsContact C-N 3.27Å; N711-L713 PolarHBondContact O-N 2.98Å; L713-G715 VanDerWaalsContact C-N 3.32Å; L713-K716 PolarHBondContact O-N 3.16Å; L713-S717 PolarHBondContact O-N 3.43Å; L713-K797 HydrophobicContact CD1-CD 4.35Å |
| 714 | Q | 53.6 | Low | 60.2 | Low | 100 Ų | 100 | 84.2 Ų | 84.2 | 47% | 0.467 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.1 | -33.7 | 175.6 | -156.6 | 170.3 | 32.5 | 0 | 0 | 111.8 | N711 S712 L794 | N711-Q714 WeakPolarHBondContact O-CB 3.22Å; N711-Q714 PolarHBondContact O-N 3.46Å; S712-Q714 PolarHBondContact O-N 3.5Å; Q714-L794 HydrophobicContact CB-CD1 4.31Å; Q714-L794 HydrophobicContact CG-CD1 3.82Å |
| 715 | G | 50.5 | Low | 58.1 | Low | 35 Ų | 35 | 88.2 Ų | 88.2 | 36% | 0.361 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -76.3 | -30.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S712 L713 Q718 M719 | S712-G715 PolarHBondContact O-N 2.98Å; L713-G715 VanDerWaalsContact C-N 3.32Å; G715-Q718 PolarHBondContact O-N 2.77Å; G715-M719 PolarHBondContact O-N 3.32Å; G715-M719 VanDerWaalsContact O-N 3.14Å |
| 716 | K | 46.7 | Very low | 55.9 | Low | 121 Ų | 121 | 90.4 Ų | 90.4 | 53% | 0.526 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -70.4 | -43 | -180 | -70 | -178.2 | -179 | 177.3 | 0 | 112.7 | S712 L713 Q718 M719 E720 | S712-K716 PolarHBondContact O-N 2.93Å; L713-K716 PolarHBondContact O-N 3.16Å; K716-Q718 PolarHBondContact O-N 3.34Å; K716-M719 PolarHBondContact O-N 3Å; K716-M719 VanDerWaalsContact O-N 3.14Å; K716-E720 PolarHBondContact O-N 2.99Å |
| 717 | S | 43.8 | Very low | 53.8 | Low | 24 Ų | 24 | 91.8 Ų | 91.8 | 17% | 0.168 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -59.6 | -35.5 | 173.8 | 177.3 | 0 | 0 | 0 | 0 | 112.1 | L713 K721 E790 | L713-S717 PolarHBondContact O-N 3.43Å; S717-K721 WeakPolarHBondContact O-CB 3.49Å; S717-K721 WeakPolarHBondContact O-CD 3.5Å; S717-K721 VanDerWaalsContact O-CG 3.26Å; S717-K721 WeakPolarHBondContact O-CG 3.47Å; S717-K721 PolarHBondContact O-N 3.4Å; S717-K721 VanDerWaalsContact O-N 3.14Å; S717-K721 WeakPolarHBondContact OG-CE 3.49Å; S717-K721 PolarHBondContact OG-NZ 3.33Å; S717-E790 PolarHBondContact OG-OE2 3.43Å |
| 718 | Q | 42.2 | Very low | 51.7 | Low | 128 Ų | 128 | 97.7 Ų | 97.7 | 60% | 0.598 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -70.8 | -35.4 | 175.6 | -70.4 | -175.2 | -4.2 | 0 | 0 | 113.2 | G715 K716 L722 | G715-Q718 PolarHBondContact O-N 2.77Å; K716-Q718 PolarHBondContact O-N 3.34Å; Q718-L722 WeakPolarHBondContact O-CD1 3.43Å; Q718-L722 WeakPolarHBondContact O-CG 3.47Å; Q718-L722 PolarHBondContact O-N 2.9Å |
| 719 | M | 40.3 | Very low | 49.7 | Very low | 120 Ų | 120 | 101 Ų | 101 | 59% | 0.591 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -72.6 | -41 | 174.9 | -69.8 | -157.9 | -57.4 | 0 | 0 | 112.5 | G715 K716 K721 L722 E723 | G715-M719 PolarHBondContact O-N 3.32Å; G715-M719 VanDerWaalsContact O-N 3.14Å; K716-M719 PolarHBondContact O-N 3Å; K716-M719 VanDerWaalsContact O-N 3.14Å; M719-K721 VanDerWaalsContact C-N 3.29Å; M719-K721 PolarHBondContact O-N 3.15Å; M719-L722 PolarHBondContact O-N 3.37Å; M719-E723 PolarHBondContact O-N 3.43Å |
| 720 | E | 43.1 | Very low | 47.6 | Very low | 126 Ų | 126 | 103.6 Ų | 103.6 | 59% | 0.589 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61 | -38.8 | 174.9 | -73.8 | 177.2 | 144.4 | 0 | 0 | 111.4 | K716 L722 E723 I724 | K716-E720 PolarHBondContact O-N 2.99Å; E720-L722 VanDerWaalsContact C-N 3.28Å; E720-L722 PolarHBondContact O-N 3.3Å; E720-E723 PolarHBondContact O-N 2.95Å; E720-I724 WeakPolarHBondContact O-CB 3.48Å; E720-I724 WeakPolarHBondContact O-CD1 3.37Å; E720-I724 VanDerWaalsContact O-CG1 3.22Å; E720-I724 WeakPolarHBondContact O-CG1 3.47Å; E720-I724 PolarHBondContact O-N 2.84Å |
| 721 | K | 46.6 | Very low | 45.7 | Very low | 70 Ų | 70 | 112.6 Ų | 112.6 | 30% | 0.304 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.8 | -25.4 | 173.2 | -72.5 | 169.6 | -174.2 | 173.5 | 0 | 114.1 | S717 M719 E790 | S717-K721 WeakPolarHBondContact O-CB 3.49Å; S717-K721 WeakPolarHBondContact O-CD 3.5Å; S717-K721 VanDerWaalsContact O-CG 3.26Å; S717-K721 WeakPolarHBondContact O-CG 3.47Å; S717-K721 PolarHBondContact O-N 3.4Å; S717-K721 VanDerWaalsContact O-N 3.14Å; S717-K721 WeakPolarHBondContact OG-CE 3.49Å; S717-K721 PolarHBondContact OG-NZ 3.33Å; M719-K721 VanDerWaalsContact C-N 3.29Å; M719-K721 PolarHBondContact O-N 3.15Å; K721-E790 IonicContact NZ-OE1 2.69Å; K721-E790 PolarHBondContact NZ-OE1 2.87Å; K721-E790 IonicContact NZ-OE2 2.64Å; K721-E790 PolarHBondContact NZ-OE2 3.29Å |
| 722 | L | 41.4 | Very low | 43.8 | Very low | 106 Ų | 106 | 114.5 Ų | 114.5 | 56% | 0.555 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -84.9 | -33.4 | 175.2 | -75.1 | 165.1 | 0 | 0 | 0 | 112.6 | Q718 M719 E720 Q726 | Q718-L722 WeakPolarHBondContact O-CD1 3.43Å; Q718-L722 WeakPolarHBondContact O-CG 3.47Å; Q718-L722 PolarHBondContact O-N 2.9Å; M719-L722 PolarHBondContact O-N 3.37Å; E720-L722 VanDerWaalsContact C-N 3.28Å; E720-L722 PolarHBondContact O-N 3.3Å; L722-Q726 VanDerWaalsContact O-CG 3.32Å; L722-Q726 WeakPolarHBondContact O-CG 3.5Å; L722-Q726 PolarHBondContact O-N 2.95Å |
| 723 | E | 43.1 | Very low | 42.3 | Very low | 131 Ų | 131 | 120.5 Ų | 120.5 | 61% | 0.612 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -74.5 | -33.9 | 176.7 | -70.8 | -174.2 | 163.2 | 0 | 0 | 112.4 | M719 E720 Q726 T727 | M719-E723 PolarHBondContact O-N 3.43Å; E720-E723 PolarHBondContact O-N 2.95Å; E723-Q726 PolarHBondContact O-N 3.42Å; E723-T727 WeakPolarHBondContact O-CG2 3.22Å; E723-T727 PolarHBondContact O-N 3.15Å; E723-T727 PolarHBondContact O-OG1 3.46Å |
| 724 | I | 42.2 | Very low | 41.1 | Very low | 106 Ų | 106 | 122.4 Ų | 122.4 | 54% | 0.544 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -65.5 | -42.6 | 175.4 | -68.4 | 164.8 | 0 | 0 | 0 | 111.1 | E720 Q726 T727 | E720-I724 WeakPolarHBondContact O-CB 3.48Å; E720-I724 WeakPolarHBondContact O-CD1 3.37Å; E720-I724 VanDerWaalsContact O-CG1 3.22Å; E720-I724 WeakPolarHBondContact O-CG1 3.47Å; E720-I724 PolarHBondContact O-N 2.84Å; I724-Q726 VanDerWaalsContact C-N 3.29Å; I724-Q726 PolarHBondContact O-N 3.06Å; I724-T727 PolarHBondContact O-OG1 3.11Å |
| 725 | H | 41.8 | Very low | 40.2 | Very low | 144 Ų | 144 | 125 Ų | 125 | 67% | 0.667 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -7.8 | 177 | -83.8 | -56 | 0 | 0 | 0 | 115.3 | ||
| 726 | Q | 39.3 | Very low | 39.3 | Very low | 149 Ų | 149 | 127.7 Ų | 127.7 | 70% | 0.696 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | 0.6 | 176.6 | -71.5 | -179.3 | 19.8 | 0 | 0 | 113.6 | L722 E723 I724 | L722-Q726 VanDerWaalsContact O-CG 3.32Å; L722-Q726 WeakPolarHBondContact O-CG 3.5Å; L722-Q726 PolarHBondContact O-N 2.95Å; E723-Q726 PolarHBondContact O-N 3.42Å; I724-Q726 VanDerWaalsContact C-N 3.29Å; I724-Q726 PolarHBondContact O-N 3.06Å |
| 727 | T | 38.4 | Very low | 38.8 | Very low | 96 Ų | 96 | 128.9 Ų | 128.9 | 59% | 0.589 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -108.5 | -5.4 | -173.7 | 41 | 0 | 0 | 0 | 0 | 115.7 | E723 I724 | E723-T727 WeakPolarHBondContact O-CG2 3.22Å; E723-T727 PolarHBondContact O-N 3.15Å; E723-T727 PolarHBondContact O-OG1 3.46Å; I724-T727 PolarHBondContact O-OG1 3.11Å |
| 728 | E | 37.9 | Very low | 38.3 | Very low | 167 Ų | 167 | 135.9 Ų | 135.9 | 78% | 0.78 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -90.6 | -18.7 | -177.7 | -62.7 | -160.3 | 132.4 | 0 | 0 | 115.5 | ||
| 729 | D | 37.7 | Very low | 37.8 | Very low | 165 Ų | 165 | 132.7 Ų | 132.7 | 88% | 0.882 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -90.3 | -7.8 | -176.9 | -97.1 | -32.4 | 0 | 0 | 0 | 115.5 | ||
| 730 | E | 35.5 | Very low | 37.5 | Very low | 167 Ų | 167 | 133.6 Ų | 133.6 | 78% | 0.78 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -131.7 | 65.9 | -174.1 | -68.9 | -159.1 | 155.7 | 0 | 0 | 115.4 | ||
| 731 | K | 32.9 | Very low | 36.9 | Very low | 194 Ų | 194 | 135.2 Ų | 135.2 | 84% | 0.843 | 71% | 0.714 | S | S | * | * | trans | -158.3 | 45.9 | 160.5 | -108.2 | 134.8 | -159.2 | 165.3 | 0 | 118.5 | K733 | K731-K733 PolarHBondContact O-N 2.63Š| ||
| 732 | S | 31.5 | Very low | 36.9 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 84% | 0.839 | 73% | 0.731 | S | S | * | * | trans | -81.7 | 87.4 | 161 | -78.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 733 | K | 36.6 | Very low | 36.6 | Very low | 191 Ų | 191 | 139 Ų | 139 | 83% | 0.83 | 74% | 0.737 | S | S | * | * | trans | 172 | 137.6 | 149.4 | -97.1 | 149.3 | -169.2 | 167.7 | 0 | 114.4 | K731 | K731-K733 PolarHBondContact O-N 2.63Š| ||
| 734 | S | 38.1 | Very low | 36.1 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | trans | 56.4 | 140.3 | 155.4 | 52.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 735 | L | 33.8 | Very low | 35.7 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | cis | 175.1 | 123.6 | -16.8 | -118.7 | 156 | 0 | 0 | 0 | 105.5 | ||||
| 736 | S | 33.6 | Very low | 35.3 | Very low | 92 Ų | 92 | 140.4 Ų | 140.4 | 64% | 0.643 | 75% | 0.746 | S | S | * | * | trans | 80.3 | 135.5 | 137.2 | 79.8 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 737 | M | 35 | Very low | 35.1 | Very low | 145 Ų | 145 | 137.3 Ų | 137.3 | 71% | 0.714 | 74% | 0.741 | S | S | * | * | trans | 68.3 | 141.6 | 154.4 | -44.2 | -46.7 | -107.4 | 0 | 0 | 118.2 | ||||
| 738 | E | 32.7 | Very low | 34.9 | Very low | 171 Ų | 171 | 140.1 Ų | 140.1 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | cis | -165.7 | 166.5 | -10 | -119 | 174.2 | 159.3 | 0 | 0 | 108.1 | ||||
| 739 | G | 33.3 | Very low | 34.9 | Very low | 62 Ų | 62 | 138.7 Ų | 138.7 | 64% | 0.639 | 74% | 0.741 | S | S | * | * | trans | 115.5 | 74.6 | 154.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 740 | T | 33.1 | Very low | 34.8 | Very low | 139 Ų | 139 | 136.5 Ų | 136.5 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | 64.6 | 91.7 | 124.2 | 52 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 741 | N | 31.6 | Very low | 34.8 | Very low | 159 Ų | 159 | 135.7 Ų | 135.7 | 85% | 0.85 | 73% | 0.73 | S | S | * | * | 49.9 | 159.7 | 99.6 | -103.2 | 15.3 | 0 | 0 | 0 | 122.1 | |||||
| 742 | P | 44.9 | Very low | 35 | Very low | 102 Ų | 102 | 135.3 Ų | 135.3 | 66% | 0.662 | 73% | 0.731 | S | S | * | * | -128.3 | -147.7 | -126.4 | 40.3 | -18.4 | 0 | 0 | 0 | 111 | |||||
| 743 | K | 34.8 | Very low | 35.3 | Very low | 154 Ų | 154 | 136 Ų | 136 | 67% | 0.67 | 73% | 0.726 | S | S | * | * | trans | 168.8 | 124.9 | 140.9 | -92.5 | 170.7 | 161.6 | -74.9 | 0 | 110.5 | ||||
| 744 | E | 33.2 | Very low | 35.1 | Very low | 129 Ų | 129 | 133.1 Ų | 133.1 | 60% | 0.603 | 72% | 0.715 | S | S | * | * | 86.2 | 146.5 | 104.8 | -72.6 | 167.9 | -178.3 | 0 | 0 | 112.6 | |||||
| 745 | E | 34.6 | Very low | 35 | Very low | 142 Ų | 142 | 134.8 Ų | 134.8 | 66% | 0.664 | 72% | 0.715 | S | S | * | * | cis | -160.7 | 151.1 | 9.1 | -128.6 | 155.1 | -145.8 | 0 | 0 | 110.1 | ||||
| 746 | D | 33.4 | Very low | 34.9 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 74% | 0.743 | 71% | 0.709 | S | S | * | * | trans | 47.7 | 149.1 | 131.9 | -76 | 18.1 | 0 | 0 | 0 | 122.2 | ||||
| 747 | S | 34 | Very low | 35 | Very low | 85 Ų | 85 | 140 Ų | 140 | 59% | 0.594 | 71% | 0.714 | S | S | * | * | cis | -174.4 | 153.1 | 20.4 | 26.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 748 | Q | 35.6 | Very low | 35 | Very low | 154 Ų | 154 | 140 Ų | 140 | 72% | 0.72 | 71% | 0.71 | S | S | * | * | trans | 65.6 | 150.7 | 135 | -64.3 | 169 | 12.6 | 0 | 0 | 119.7 | ||||
| 749 | Q | 36.1 | Very low | 35.2 | Very low | 137 Ų | 137 | 136.9 Ų | 136.9 | 64% | 0.64 | 70% | 0.699 | S | S | * | * | cis | -167.2 | 162.9 | 2 | -124.2 | 175.6 | -41.6 | 0 | 0 | 114.1 | ||||
| 750 | N | 35.6 | Very low | 35.2 | Very low | 119 Ų | 119 | 140.3 Ų | 140.3 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | trans | 65 | 130.3 | 153.1 | -55 | -18 | 0 | 0 | 0 | 118.7 | ||||
| 751 | D | 35.8 | Very low | 35.2 | Very low | 151 Ų | 151 | 142.2 Ų | 142.2 | 81% | 0.807 | 70% | 0.702 | S | S | * | * | cis | 96.4 | 156.9 | 35.6 | -76.1 | -28.3 | 0 | 0 | 0 | 114.4 | ||||
| 752 | E | 36.7 | Very low | 35.4 | Very low | 186 Ų | 186 | 143.1 Ų | 143.1 | 87% | 0.869 | 70% | 0.703 | S | S | * | * | trans | 91.2 | 128.5 | -174.2 | -61.4 | -175.6 | -179.3 | 0 | 0 | 115.6 | ||||
| 753 | D | 38 | Very low | 34.9 | Very low | 135 Ų | 135 | 147 Ų | 147 | 72% | 0.722 | 71% | 0.713 | S | S | * | * | cis | -154.5 | 173.4 | -3.7 | -148.2 | -7.6 | 0 | 0 | 0 | 114.6 | ||||
| 754 | Q | 33.8 | Very low | 34.7 | Very low | 130 Ų | 130 | 147.7 Ų | 147.7 | 61% | 0.607 | 72% | 0.721 | S | S | * | * | trans | -83.5 | 155.9 | -170.5 | -57.2 | 155.4 | 58.5 | 0 | 0 | 114.5 | ||||
| 755 | L | 35.1 | Very low | 34.6 | Very low | 145 Ų | 145 | 145.8 Ų | 145.8 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | -177.6 | 119.5 | 112.7 | -116.6 | 76.5 | 0 | 0 | 0 | 113.8 | |||||
| 756 | R | 32.6 | Very low | 34.7 | Very low | 182 Ų | 182 | 142.3 Ų | 142.3 | 69% | 0.687 | 72% | 0.716 | S | S | * | * | 35.4 | 131.9 | 113.8 | -55.7 | 177.7 | -169.4 | -147.7 | -6.4 | 116 | |||||
| 757 | K | 36.3 | Very low | 34.8 | Very low | 174 Ų | 174 | 143.1 Ų | 143.1 | 76% | 0.757 | 72% | 0.716 | S | S | * | * | cis | 172.4 | 172 | 36.6 | -121.7 | 177.2 | -175.1 | -179.3 | 0 | 107.2 | ||||
| 758 | K | 34.6 | Very low | 35 | Very low | 146 Ų | 146 | 148.2 Ų | 148.2 | 64% | 0.635 | 73% | 0.73 | S | S | * | * | cis | -164.4 | 169.6 | -4 | -157 | -177.9 | 152.2 | -107.1 | 0 | 107.6 | ||||
| 759 | D | 37 | Very low | 35.2 | Very low | 104 Ų | 104 | 146.5 Ų | 146.5 | 56% | 0.556 | 73% | 0.73 | S | S | * | * | trans | 73.3 | 138.7 | 155.5 | -59 | -38.2 | 0 | 0 | 0 | 119.6 | ||||
| 760 | N | 32.9 | Very low | 35.4 | Very low | 135 Ų | 135 | 148.3 Ų | 148.3 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | cis | -176.9 | 167.7 | -39 | -116.7 | 18.4 | 0 | 0 | 0 | 108.8 | ||||
| 761 | E | 32.5 | Very low | 35.6 | Very low | 179 Ų | 179 | 150.2 Ų | 150.2 | 84% | 0.836 | 74% | 0.736 | S | S | * | * | trans | 77.8 | 84.7 | 162.5 | -69.3 | 161.5 | -144.4 | 0 | 0 | 119.2 | ||||
| 762 | M | 35.6 | Very low | 35.9 | Very low | 178 Ų | 178 | 149.6 Ų | 149.6 | 88% | 0.877 | 73% | 0.732 | S | S | * | * | trans | -148.2 | 107.2 | 130.3 | -112.3 | -167.6 | -60.4 | 0 | 0 | 111.2 | ||||
| 763 | E | 34.8 | Very low | 35.8 | Very low | 184 Ų | 184 | 147.7 Ų | 147.7 | 86% | 0.86 | 72% | 0.723 | S | S | * | * | 63.4 | 111.6 | 126.2 | -121.6 | 163.7 | -156.2 | 0 | 0 | 122 | |||||
| 764 | I | 31.2 | Very low | 35.9 | Very low | 167 Ų | 167 | 143.2 Ų | 143.2 | 86% | 0.856 | 71% | 0.708 | S | S | * | * | trans | -96 | 111.4 | 173.7 | -62 | 162.1 | 0 | 0 | 0 | 108.6 | ||||
| 765 | A | 31.4 | Very low | 36.1 | Very low | 89 Ų | 89 | 143.6 Ų | 143.6 | 74% | 0.736 | 71% | 0.71 | S | S | * | * | trans | -177.4 | 54.5 | 160.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 766 | T | 36.3 | Very low | 36.3 | Very low | 69 Ų | 69 | 141 Ų | 141 | 42% | 0.423 | 70% | 0.697 | S | S | . | * | trans | -148.4 | 61.8 | 168.7 | 52.6 | 0 | 0 | 0 | 0 | 113.5 | R770 | T766-R770 PolarHBondContact OG1-NH1 3.01Š| ||
| 767 | E | 35.5 | Very low | 36.7 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 73% | 0.734 | 70% | 0.698 | S | S | * | * | trans | -105.6 | 8.2 | -166.5 | -140.3 | 68.3 | -146.1 | 0 | 0 | 116.3 | ||||
| 768 | E | 37.8 | Very low | 37 | Very low | 192 Ų | 192 | 136.8 Ų | 136.8 | 90% | 0.897 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -130.5 | 3.6 | -179.3 | -70.1 | -170.1 | 153.4 | 0 | 0 | 115.3 | ||
| 769 | T | 39.6 | Very low | 37.5 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 72% | 0.718 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -134.2 | 4.7 | -176 | 27.1 | 0 | 0 | 0 | 0 | 115.8 | ||
| 770 | R | 39.6 | Very low | 37.8 | Very low | 175 Ų | 175 | 134.9 Ų | 134.9 | 66% | 0.66 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -107.1 | 2.5 | -178.8 | -79.1 | 179.6 | 166.7 | 167 | -9.7 | 115.9 | T766 | T766-R770 PolarHBondContact OG1-NH1 3.01Š|
| 771 | Q | 40.1 | Very low | 38.5 | Very low | 159 Ų | 159 | 132.5 Ų | 132.5 | 74% | 0.743 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | 4.3 | -179.1 | -71.7 | -175.1 | -5.3 | 0 | 0 | 114.9 | ||
| 772 | I | 42.2 | Very low | 39.3 | Very low | 138 Ų | 138 | 130.9 Ų | 130.9 | 71% | 0.708 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.2 | -19.6 | -179 | -62.1 | 177.9 | 0 | 0 | 0 | 112.6 | ||
| 773 | E | 35.4 | Very low | 39.8 | Very low | 147 Ų | 147 | 127.3 Ų | 127.3 | 69% | 0.687 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -25.5 | 179.6 | -67.5 | 179 | 152.4 | 0 | 0 | 113.1 | ||
| 774 | G | 39.5 | Very low | 40.3 | Very low | 40 Ų | 40 | 123.9 Ų | 123.9 | 41% | 0.412 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -75.4 | -19.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 775 | Q | 37.5 | Very low | 41.1 | Very low | 139 Ų | 139 | 120.6 Ų | 120.6 | 65% | 0.65 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -79 | -35.8 | 176.7 | -65.1 | -169 | -57.1 | 0 | 0 | 111.7 | E779 | Q775-E779 WeakPolarHBondContact O-CB 3.45Å; Q775-E779 WeakPolarHBondContact O-CG 3.45Å; Q775-E779 PolarHBondContact O-N 3.23Å |
| 776 | N | 40.3 | Very low | 41.8 | Very low | 89 Ų | 89 | 121.9 Ų | 121.9 | 48% | 0.476 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.4 | -39.3 | 177.5 | -71.4 | -26.7 | 0 | 0 | 0 | 112.4 | E779 I780 | N776-E779 PolarHBondContact O-N 2.84Å; N776-I780 VanDerWaalsContact O-CB 3.32Å; N776-I780 WeakPolarHBondContact O-CB 3.49Å; N776-I780 WeakPolarHBondContact O-CD1 2.95Å; N776-I780 WeakPolarHBondContact O-CG1 3.39Å; N776-I780 PolarHBondContact O-N 3Å |
| 777 | E | 40.4 | Very low | 42.4 | Very low | 151 Ų | 151 | 122.5 Ų | 122.5 | 71% | 0.706 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.4 | -38.5 | 178.1 | -69.9 | -169.6 | 146.1 | 0 | 0 | 112.4 | I780 D781 | E777-I780 PolarHBondContact O-N 3.37Å; E777-D781 WeakPolarHBondContact O-CB 3.45Å; E777-D781 PolarHBondContact O-N 3.35Å |
| 778 | E | 43 | Very low | 43.3 | Very low | 118 Ų | 118 | 119.8 Ų | 119.8 | 55% | 0.551 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -70.1 | -29.5 | 173 | -77.4 | -165.8 | -179.2 | 0 | 0 | 113.7 | R782 | E778-R782 VanDerWaalsContact O-CB 3.26Å; E778-R782 WeakPolarHBondContact O-CB 3.48Å; E778-R782 VanDerWaalsContact O-CG 3.23Å; E778-R782 WeakPolarHBondContact O-CG 3.21Å; E778-R782 PolarHBondContact O-N 2.87Å; E778-R782 VanDerWaalsContact O-N 3.1Å; E778-R782 PolarHBondContact O-NE 2.96Å; E778-R782 VanDerWaalsContact O-NE 3.13Å; E778-R782 IonicContact OE2-CZ 3.68Å; E778-R782 IonicContact OE2-NH2 3.79Å; E778-R782 PolarHBondContact OE2-NH2 3.43Å |
| 779 | E | 44.8 | Very low | 44.2 | Very low | 114 Ų | 114 | 114.9 Ų | 114.9 | 53% | 0.533 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -75.7 | -36.6 | 172.4 | -78.7 | -167.9 | 145.1 | 0 | 0 | 112.4 | Q775 N776 R782 H783 | Q775-E779 WeakPolarHBondContact O-CB 3.45Å; Q775-E779 WeakPolarHBondContact O-CG 3.45Å; Q775-E779 PolarHBondContact O-N 3.23Å; N776-E779 PolarHBondContact O-N 2.84Å; E779-R782 PolarHBondContact O-N 2.92Å; E779-H783 VanDerWaalsContact O-CB 3.31Å; E779-H783 WeakPolarHBondContact O-CB 3.4Å; E779-H783 PolarHBondContact O-N 2.86Å; E779-H783 PolarHBondContact O-ND1 3.2Å |
| 780 | I | 43.2 | Very low | 45 | Very low | 95 Ų | 95 | 111.6 Ų | 111.6 | 49% | 0.487 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.5 | -45.4 | 174.7 | -73.1 | 161.3 | 0 | 0 | 0 | 110.6 | N776 E777 H783 Q784 | N776-I780 VanDerWaalsContact O-CB 3.32Å; N776-I780 WeakPolarHBondContact O-CB 3.49Å; N776-I780 WeakPolarHBondContact O-CD1 2.95Å; N776-I780 WeakPolarHBondContact O-CG1 3.39Å; N776-I780 PolarHBondContact O-N 3Å; E777-I780 PolarHBondContact O-N 3.37Å; I780-H783 PolarHBondContact O-N 3.15Å; I780-Q784 WeakPolarHBondContact O-CG 3.16Å; I780-Q784 PolarHBondContact O-N 3.33Å |
| 781 | D | 48.8 | Very low | 45.8 | Very low | 85 Ų | 85 | 106.3 Ų | 106.3 | 46% | 0.455 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 176.5 | -167.7 | 18.1 | 0 | 0 | 0 | 111 | E777 H783 Q784 Q785 | E777-D781 WeakPolarHBondContact O-CB 3.45Å; E777-D781 PolarHBondContact O-N 3.35Å; D781-H783 PolarHBondContact O-N 3.29Å; D781-Q784 PolarHBondContact O-N 3.39Å; D781-Q785 WeakPolarHBondContact O-CB 3.39Å; D781-Q785 VanDerWaalsContact O-CG 3.22Å; D781-Q785 WeakPolarHBondContact O-CG 3.42Å; D781-Q785 PolarHBondContact O-N 3.12Å; D781-Q785 PolarHBondContact OD1-NE2 3.17Å; D781-Q785 PolarHBondContact OD2-NE2 3.42Å; D781-Q785 VanDerWaalsContact OD2-NE2 3.09Å |
| 782 | R | 48 | Very low | 46.8 | Very low | 145 Ų | 145 | 102.7 Ų | 102.7 | 55% | 0.547 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.4 | -40.3 | 171.3 | -79.7 | -178.7 | -105.4 | -166.4 | -8.9 | 113 | E778 E779 Q785 H786 | E778-R782 VanDerWaalsContact O-CB 3.26Å; E778-R782 WeakPolarHBondContact O-CB 3.48Å; E778-R782 VanDerWaalsContact O-CG 3.23Å; E778-R782 WeakPolarHBondContact O-CG 3.21Å; E778-R782 PolarHBondContact O-N 2.87Å; E778-R782 VanDerWaalsContact O-N 3.1Å; E778-R782 PolarHBondContact O-NE 2.96Å; E778-R782 VanDerWaalsContact O-NE 3.13Å; E778-R782 IonicContact OE2-CZ 3.68Å; E778-R782 IonicContact OE2-NH2 3.79Å; E778-R782 PolarHBondContact OE2-NH2 3.43Å; E779-R782 PolarHBondContact O-N 2.92Å; R782-Q785 PolarHBondContact O-N 2.87Å; R782-H786 WeakPolarHBondContact O-CB 3.29Å; R782-H786 PolarHBondContact O-N 3.29Å |
| 783 | H | 46.2 | Very low | 47.6 | Very low | 103 Ų | 103 | 98.2 Ų | 98.2 | 48% | 0.477 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.1 | -39.4 | 176.5 | -95.7 | 56.2 | 0 | 0 | 0 | 112.5 | E779 I780 D781 H786 T787 | E779-H783 VanDerWaalsContact O-CB 3.31Å; E779-H783 WeakPolarHBondContact O-CB 3.4Å; E779-H783 PolarHBondContact O-N 2.86Å; E779-H783 PolarHBondContact O-ND1 3.2Å; I780-H783 PolarHBondContact O-N 3.15Å; D781-H783 PolarHBondContact O-N 3.29Å; H783-H786 PolarHBondContact O-N 2.75Å; H783-T787 WeakPolarHBondContact O-CB 3.08Å; H783-T787 PolarHBondContact O-N 3.46Å; H783-T787 PolarHBondContact O-OG1 3.12Å |
| 784 | Q | 45.7 | Very low | 48.8 | Very low | 112 Ų | 112 | 92.5 Ų | 92.5 | 52% | 0.523 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 173.9 | -72 | -178.5 | 30.8 | 0 | 0 | 110.5 | I780 D781 H786 T787 I788 | I780-Q784 WeakPolarHBondContact O-CG 3.16Å; I780-Q784 PolarHBondContact O-N 3.33Å; D781-Q784 PolarHBondContact O-N 3.39Å; Q784-H786 PolarHBondContact O-N 2.72Å; Q784-T787 PolarHBondContact O-N 3.32Å; Q784-I788 WeakPolarHBondContact O-CB 3.49Å; Q784-I788 WeakPolarHBondContact O-CD1 3.45Å; Q784-I788 VanDerWaalsContact O-CG1 3.25Å; Q784-I788 WeakPolarHBondContact O-CG1 3.32Å; Q784-I788 PolarHBondContact O-N 2.98Å |
| 785 | Q | 47.3 | Very low | 49.8 | Very low | 98 Ų | 98 | 96.8 Ų | 96.8 | 46% | 0.458 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 175.2 | -70 | 172.1 | 25 | 0 | 0 | 112.5 | D781 R782 I788 T789 | D781-Q785 WeakPolarHBondContact O-CB 3.39Å; D781-Q785 VanDerWaalsContact O-CG 3.22Å; D781-Q785 WeakPolarHBondContact O-CG 3.42Å; D781-Q785 PolarHBondContact O-N 3.12Å; D781-Q785 PolarHBondContact OD1-NE2 3.17Å; D781-Q785 PolarHBondContact OD2-NE2 3.42Å; D781-Q785 VanDerWaalsContact OD2-NE2 3.09Å; R782-Q785 PolarHBondContact O-N 2.87Å; Q785-I788 PolarHBondContact O-N 3.18Å; Q785-T789 VanDerWaalsContact O-CB 3.31Å; Q785-T789 WeakPolarHBondContact O-CB 3.44Å; Q785-T789 PolarHBondContact O-N 3.09Å; Q785-T789 PolarHBondContact O-OG1 2.95Å |
| 786 | H | 47.1 | Very low | 51 | Low | 116 Ų | 116 | 95 Ų | 95 | 54% | 0.537 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.5 | -39.1 | 176.2 | -142.5 | -71.7 | 0 | 0 | 0 | 111.8 | R782 H783 Q784 T789 E790 | R782-H786 WeakPolarHBondContact O-CB 3.29Å; R782-H786 PolarHBondContact O-N 3.29Å; H783-H786 PolarHBondContact O-N 2.75Å; Q784-H786 PolarHBondContact O-N 2.72Å; H786-T789 PolarHBondContact O-N 3.46Å; H786-E790 IonicContact CE1-OE1 2.71Å; H786-E790 PolarHBondContact CE1-OE1 2.95Å; H786-E790 IonicContact CG-OE1 2.68Å; H786-E790 IonicContact ND1-OE1 2.8Å; H786-E790 PolarHBondContact ND1-OE1 3.33Å; H786-E790 WeakPolarHBondContact O-CB 3.22Å; H786-E790 WeakPolarHBondContact O-CG 3.5Å; H786-E790 PolarHBondContact O-N 2.97Å |
| 787 | T | 49.1 | Very low | 52.1 | Low | 82 Ų | 82 | 96 Ų | 96 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.5 | -40.9 | 176.8 | -54.6 | 0 | 0 | 0 | 0 | 111.6 | H783 Q784 S791 | H783-T787 WeakPolarHBondContact O-CB 3.08Å; H783-T787 PolarHBondContact O-N 3.46Å; H783-T787 PolarHBondContact O-OG1 3.12Å; Q784-T787 PolarHBondContact O-N 3.32Å; T787-S791 WeakPolarHBondContact O-CB 3.24Å; T787-S791 PolarHBondContact O-N 3.32Å |
| 788 | I | 54.4 | Low | 53.4 | Low | 100 Ų | 100 | 91.9 Ų | 91.9 | 51% | 0.513 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 172.8 | -69.1 | 163.8 | 0 | 0 | 0 | 110.3 | Q784 Q785 S791 I792 | Q784-I788 WeakPolarHBondContact O-CB 3.49Å; Q784-I788 WeakPolarHBondContact O-CD1 3.45Å; Q784-I788 VanDerWaalsContact O-CG1 3.25Å; Q784-I788 WeakPolarHBondContact O-CG1 3.32Å; Q784-I788 PolarHBondContact O-N 2.98Å; Q785-I788 PolarHBondContact O-N 3.18Å; I788-S791 PolarHBondContact O-N 3.49Å; I788-I792 HydrophobicContact CG2-CD1 3.68Å; I788-I792 HydrophobicContact CG2-CG1 4.42Å; I788-I792 WeakPolarHBondContact O-CB 3.46Å; I788-I792 VanDerWaalsContact O-CG1 3.27Å; I788-I792 WeakPolarHBondContact O-CG1 3.47Å; I788-I792 PolarHBondContact O-N 3.1Å |
| 789 | T | 56.5 | Low | 54.3 | Low | 89 Ų | 89 | 90.1 Ų | 90.1 | 55% | 0.546 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.3 | -40 | 179.2 | -56.4 | 0 | 0 | 0 | 0 | 111.9 | Q785 H786 I792 A793 | Q785-T789 VanDerWaalsContact O-CB 3.31Å; Q785-T789 WeakPolarHBondContact O-CB 3.44Å; Q785-T789 PolarHBondContact O-N 3.09Å; Q785-T789 PolarHBondContact O-OG1 2.95Å; H786-T789 PolarHBondContact O-N 3.46Å; T789-I792 PolarHBondContact O-N 3.36Å; T789-A793 VanDerWaalsContact O-CB 3.24Å; T789-A793 WeakPolarHBondContact O-CB 3.14Å; T789-A793 PolarHBondContact O-N 2.92Å |
| 790 | E | 56.6 | Low | 55.5 | Low | 48 Ų | 48 | 92.3 Ų | 92.3 | 22% | 0.224 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 172.4 | -80 | 167.7 | -130.8 | 0 | 0 | 112.2 | S717 K721 H786 A793 L794 | S717-E790 PolarHBondContact OG-OE2 3.43Å; K721-E790 IonicContact NZ-OE1 2.69Å; K721-E790 PolarHBondContact NZ-OE1 2.87Å; K721-E790 IonicContact NZ-OE2 2.64Å; K721-E790 PolarHBondContact NZ-OE2 3.29Å; H786-E790 IonicContact CE1-OE1 2.71Å; H786-E790 PolarHBondContact CE1-OE1 2.95Å; H786-E790 IonicContact CG-OE1 2.68Å; H786-E790 IonicContact ND1-OE1 2.8Å; H786-E790 PolarHBondContact ND1-OE1 3.33Å; H786-E790 WeakPolarHBondContact O-CB 3.22Å; H786-E790 WeakPolarHBondContact O-CG 3.5Å; H786-E790 PolarHBondContact O-N 2.97Å; E790-A793 PolarHBondContact O-N 3.23Å; E790-L794 WeakPolarHBondContact O-CB 3.3Å; E790-L794 PolarHBondContact O-N 3.25Å |
| 791 | S | 56.4 | Low | 56.9 | Low | 64 Ų | 64 | 88.7 Ų | 88.7 | 45% | 0.448 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 175.4 | -167.2 | 0 | 0 | 0 | 0 | 111.5 | T787 I788 L794 E795 | T787-S791 WeakPolarHBondContact O-CB 3.24Å; T787-S791 PolarHBondContact O-N 3.32Å; I788-S791 PolarHBondContact O-N 3.49Å; S791-L794 PolarHBondContact O-N 3.12Å; S791-E795 PolarHBondContact O-N 2.91Å |
| 792 | I | 59.9 | Low | 58.3 | Low | 84 Ų | 84 | 88.4 Ų | 88.4 | 43% | 0.431 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.3 | -40.3 | 176.3 | -68.3 | 166.8 | 0 | 0 | 0 | 110.7 | I788 T789 L794 E795 L796 | I788-I792 HydrophobicContact CG2-CD1 3.68Å; I788-I792 HydrophobicContact CG2-CG1 4.42Å; I788-I792 WeakPolarHBondContact O-CB 3.46Å; I788-I792 VanDerWaalsContact O-CG1 3.27Å; I788-I792 WeakPolarHBondContact O-CG1 3.47Å; I788-I792 PolarHBondContact O-N 3.1Å; T789-I792 PolarHBondContact O-N 3.36Å; I792-L794 VanDerWaalsContact C-N 3.32Å; I792-L794 PolarHBondContact O-N 2.9Å; I792-E795 PolarHBondContact O-N 3.48Å; I792-L796 HydrophobicContact CG2-CD1 3.84Å; I792-L796 HydrophobicContact CG2-CG 4.28Å; I792-L796 WeakPolarHBondContact O-CB 3.34Å; I792-L796 WeakPolarHBondContact O-CG 3.23Å; I792-L796 PolarHBondContact O-N 2.85Å |
| 793 | A | 60.4 | Low | 59.9 | Low | 43 Ų | 43 | 86.6 Ų | 86.6 | 36% | 0.355 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.4 | -34.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T789 E790 K797 | T789-A793 VanDerWaalsContact O-CB 3.24Å; T789-A793 WeakPolarHBondContact O-CB 3.14Å; T789-A793 PolarHBondContact O-N 2.92Å; E790-A793 PolarHBondContact O-N 3.23Å; A793-K797 WeakPolarHBondContact O-CB 3.15Å; A793-K797 VanDerWaalsContact O-CG 3.31Å; A793-K797 WeakPolarHBondContact O-CG 3.4Å; A793-K797 PolarHBondContact O-N 3.16Å |
| 794 | L | 60.9 | Low | 61.8 | Low | 28 Ų | 28 | 82.7 Ų | 82.7 | 15% | 0.147 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -69.2 | -47.2 | 172 | -84.1 | 159.2 | 0 | 0 | 0 | 111.8 | A710 Q714 E790 S791 I792 L796 K797 L798 | A710-L794 WeakPolarHBondContact O-CD2 3.35Å; Q714-L794 HydrophobicContact CB-CD1 4.31Å; Q714-L794 HydrophobicContact CG-CD1 3.82Å; E790-L794 WeakPolarHBondContact O-CB 3.3Å; E790-L794 PolarHBondContact O-N 3.25Å; S791-L794 PolarHBondContact O-N 3.12Å; I792-L794 VanDerWaalsContact C-N 3.32Å; I792-L794 PolarHBondContact O-N 2.9Å; L794-L796 VanDerWaalsContact C-N 3.32Å; L794-L796 PolarHBondContact O-N 2.93Å; L794-K797 PolarHBondContact O-N 3.05Å; L794-L798 WeakPolarHBondContact O-CB 3.16Å; L794-L798 VanDerWaalsContact O-CG 3.29Å; L794-L798 WeakPolarHBondContact O-CG 3.44Å; L794-L798 PolarHBondContact O-N 3.33Å |
| 795 | E | 59.3 | Low | 63.7 | Low | 130 Ų | 130 | 79.5 Ų | 79.5 | 61% | 0.607 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -58.8 | -43.1 | 174.4 | -74.9 | -170.1 | 158 | 0 | 0 | 111.8 | S791 I792 K797 L798 A799 | S791-E795 PolarHBondContact O-N 2.91Å; I792-E795 PolarHBondContact O-N 3.48Å; E795-K797 PolarHBondContact O-N 3.49Å; E795-L798 PolarHBondContact O-N 2.87Å; E795-A799 WeakPolarHBondContact O-CB 3.45Å; E795-A799 PolarHBondContact O-N 3.29Å |
| 796 | L | 62.8 | Low | 65.5 | Low | 102 Ų | 102 | 78.2 Ų | 78.2 | 53% | 0.534 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.2 | -37.1 | 175.9 | -73.3 | 171.3 | 0 | 0 | 0 | 112.6 | I792 L794 H800 | I792-L796 HydrophobicContact CG2-CD1 3.84Å; I792-L796 HydrophobicContact CG2-CG 4.28Å; I792-L796 WeakPolarHBondContact O-CB 3.34Å; I792-L796 WeakPolarHBondContact O-CG 3.23Å; I792-L796 PolarHBondContact O-N 2.85Å; L794-L796 VanDerWaalsContact C-N 3.32Å; L794-L796 PolarHBondContact O-N 2.93Å; L796-H800 PolarHBondContact O-N 2.82Å; L796-H800 PolarHBondContact O-ND1 2.92Å |
| 797 | K | 64 | Low | 67.2 | Low | 108 Ų | 108 | 76.4 Ų | 76.4 | 47% | 0.47 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69 | -46.9 | 174.3 | -80.1 | 177.2 | 179.8 | -178.9 | 0 | 111.7 | L713 A793 L794 E795 A799 H800 I801 | L713-K797 HydrophobicContact CD1-CD 4.35Å; A793-K797 WeakPolarHBondContact O-CB 3.15Å; A793-K797 VanDerWaalsContact O-CG 3.31Å; A793-K797 WeakPolarHBondContact O-CG 3.4Å; A793-K797 PolarHBondContact O-N 3.16Å; L794-K797 PolarHBondContact O-N 3.05Å; E795-K797 PolarHBondContact O-N 3.49Å; K797-A799 VanDerWaalsContact C-N 3.27Å; K797-A799 PolarHBondContact O-N 3.13Å; K797-H800 PolarHBondContact O-N 2.83Å; K797-H800 VanDerWaalsContact O-N 3.08Å; K797-I801 PolarHBondContact O-N 2.82Å |
| 798 | L | 66.5 | Low | 68.7 | Low | 65 Ų | 65 | 73.6 Ų | 73.6 | 34% | 0.34 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.7 | -36.1 | 176.7 | -69.1 | 169.6 | 0 | 0 | 0 | 111.7 | M707 A710 L794 E795 H800 I801 | M707-L798 HydrophobicContact CE-CD2 4.39Å; M707-L798 HydrophobicContact SD-CD2 3.61Å; A710-L798 HydrophobicContact CB-CD2 3.93Å; L794-L798 WeakPolarHBondContact O-CB 3.16Å; L794-L798 VanDerWaalsContact O-CG 3.29Å; L794-L798 WeakPolarHBondContact O-CG 3.44Å; L794-L798 PolarHBondContact O-N 3.33Å; E795-L798 PolarHBondContact O-N 2.87Å; L798-H800 VanDerWaalsContact C-N 3.3Å; L798-H800 PolarHBondContact O-N 2.82Å; L798-I801 HydrophobicContact CD2-CD1 4.08Å; L798-I801 PolarHBondContact O-N 2.7Å |
| 799 | A | 63.1 | Low | 70 | Confident | 81 Ų | 81 | 73.3 Ų | 73.3 | 67% | 0.669 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -69.7 | -21.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E795 K797 | E795-A799 WeakPolarHBondContact O-CB 3.45Å; E795-A799 PolarHBondContact O-N 3.29Å; K797-A799 VanDerWaalsContact C-N 3.27Å; K797-A799 PolarHBondContact O-N 3.13Å |
| 800 | H | 68.5 | Low | 71.1 | Confident | 160 Ų | 160 | 78.5 Ų | 78.5 | 74% | 0.741 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -83.4 | -10.8 | 174 | -84.5 | 78 | 0 | 0 | 0 | 113.7 | L796 K797 L798 P802 | L796-H800 PolarHBondContact O-N 2.82Å; L796-H800 PolarHBondContact O-ND1 2.92Å; K797-H800 PolarHBondContact O-N 2.83Å; K797-H800 VanDerWaalsContact O-N 3.08Å; L798-H800 VanDerWaalsContact C-N 3.3Å; L798-H800 PolarHBondContact O-N 2.82Å; H800-P802 WeakPolarHBondContact O-CD 3.18Å |
| 801 | I | 74.4 | Confident | 72.2 | Confident | 20 Ų | 20 | 81.1 Ų | 81.1 | 10% | 0.103 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -72.6 | 119.5 | 178 | -59.7 | 176.6 | 0 | 0 | 0 | 108.5 | R703 L706 M707 A710 K797 L798 | R703-I801 HydrophobicContact CG-CG2 3.78Å; L706-I801 HydrophobicContact CB-CD1 4.08Å; L706-I801 HydrophobicContact CB-CG1 4.14Å; L706-I801 HydrophobicContact CB-CG2 4.19Å; L706-I801 HydrophobicContact CD1-CG2 4.26Å; M707-I801 HydrophobicContact CE-CB 4.22Å; M707-I801 HydrophobicContact CE-CD1 3.71Å; M707-I801 HydrophobicContact CE-CG2 4.09Å; M707-I801 HydrophobicContact CG-CD1 3.93Å; M707-I801 HydrophobicContact SD-CD1 3.68Å; A710-I801 HydrophobicContact CB-CD1 4.47Å; K797-I801 PolarHBondContact O-N 2.82Å; L798-I801 HydrophobicContact CD2-CD1 4.08Å; L798-I801 PolarHBondContact O-N 2.7Å |
| 802 | P | 77.1 | Confident | 73.6 | Confident | 78 Ų | 78 | 78.7 Ų | 78.7 | 51% | 0.506 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 142.5 | -174.5 | 23.8 | -33.4 | 0 | 0 | 0 | 111.6 | H800 | H800-P802 WeakPolarHBondContact O-CD 3.18Š|
| 803 | P | 81.9 | Confident | 74.9 | Confident | 107 Ų | 107 | 81.3 Ų | 81.3 | 70% | 0.695 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 153.9 | 172.1 | 29.6 | -34.7 | 0 | 0 | 0 | 110.3 | ||
| 804 | L | 86 | Confident | 76.3 | Confident | 21 Ų | 21 | 79.7 Ų | 79.7 | 11% | 0.11 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 138.3 | 171.9 | -67.5 | 169.4 | 0 | 0 | 0 | 110 | Q689 R692 A699 A700 | Q689-L804 HydrophobicContact CG-CD1 4.4Å; R692-L804 HydrophobicContact CB-CB 3.89Å; R692-L804 HydrophobicContact CB-CD1 3.85Å; A699-L804 HydrophobicContact CB-CD2 4.41Å; A700-L804 HydrophobicContact CB-CD2 3.97Å |
| 805 | P | 84.9 | Confident | 77.8 | Confident | 45 Ų | 45 | 78.5 Ų | 78.5 | 29% | 0.292 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 141.3 | -174.1 | 28 | -35.9 | 0 | 0 | 0 | 111.8 | A696 A699 V807 | A696-P805 HydrophobicContact CB-CG 3.62Å; A699-P805 HydrophobicContact CB-CG 4.16Å; P805-V807 VanDerWaalsContact C-N 3.28Å; P805-V807 PolarHBondContact O-N 3.11Å |
| 806 | E | 85.7 | Confident | 79.3 | Confident | 71 Ų | 71 | 72.9 Ų | 72.9 | 33% | 0.332 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -76.5 | -17.8 | 178.7 | -60.9 | -166.7 | 148.4 | 0 | 0 | 113.2 | S623 N624 R692 | S623-E806 VanDerWaalsContact CA-OE2 3.23Å; S623-E806 WeakPolarHBondContact CA-OE2 3.45Å; S623-E806 VanDerWaalsContact CB-OE2 3.25Å; S623-E806 WeakPolarHBondContact CB-OE2 3.26Å; N624-E806 WeakPolarHBondContact CB-OE1 3.35Å; N624-E806 PolarHBondContact N-OE1 3.49Å; N624-E806 PolarHBondContact ND2-OE1 3.36Å; N624-E806 VanDerWaalsContact ND2-OE1 3.1Å; R692-E806 PolarHBondContact NH1-O 3.49Å |
| 807 | V | 83 | Confident | 80.6 | Confident | 79 Ų | 79 | 69.8 Ų | 69.8 | 48% | 0.479 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -132.5 | 123.3 | 170.7 | -175.3 | 0 | 0 | 0 | 0 | 106.2 | I621 P805 | I621-V807 HydrophobicContact CG2-CG2 3.84Å; P805-V807 VanDerWaalsContact C-N 3.28Å; P805-V807 PolarHBondContact O-N 3.11Å |
| 808 | P | 80.7 | Confident | 81.9 | Confident | 23 Ų | 23 | 64.7 Ų | 64.7 | 15% | 0.149 | 36% | 0.359 | C | S | . | . | trans | -57.2 | 150.7 | 174.6 | -25.5 | 36.5 | 0 | 0 | 0 | 111.8 | M695 E812 | M695-P808 HydrophobicContact CB-CG 3.74Å; M695-P808 HydrophobicContact CE-CG 4Å; M695-P808 VanDerWaalsContact O-CB 3.27Å; M695-P808 WeakPolarHBondContact O-CB 3.14Å; M695-P808 WeakPolarHBondContact O-CG 3.3Å; P808-E812 HydrophobicContact CB-CB 4.18Å | ||
| 809 | D | 81.4 | Confident | 83.1 | Confident | 93 Ų | 93 | 61.6 Ų | 61.6 | 50% | 0.497 | 34% | 0.343 | S | S | . | . | trans | -71.8 | 158 | 168.5 | -174.8 | 39.3 | 0 | 0 | 0 | 110.7 | T811 E812 | D809-T811 PolarHBondContact O-N 3.35Å; D809-T811 VanDerWaalsContact O-N 3.15Å; D809-T811 WeakPolarHBondContact OD2-CB 3.34Å; D809-T811 WeakPolarHBondContact OD2-CG2 3.26Å; D809-T811 PolarHBondContact OD2-OG1 3.31Å; D809-E812 HydrophobicContact CB-CG 4.19Å; D809-E812 WeakPolarHBondContact O-CB 3.47Å; D809-E812 PolarHBondContact O-N 3.19Å; D809-E812 VanDerWaalsContact O-N 3.11Å | ||
| 810 | E | 78.5 | Confident | 84.3 | Confident | 199 Ų | 199 | 61 Ų | 61 | 93% | 0.93 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -17.7 | 178.1 | -64.3 | -178.5 | 176.2 | 0 | 0 | 112.3 | ||
| 811 | T | 81.3 | Confident | 85.1 | Confident | 102 Ų | 102 | 58.3 Ų | 58.3 | 63% | 0.626 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -6.3 | 176.7 | 68 | 0 | 0 | 0 | 0 | 114.8 | D809 E813 | D809-T811 PolarHBondContact O-N 3.35Å; D809-T811 VanDerWaalsContact O-N 3.15Å; D809-T811 WeakPolarHBondContact OD2-CB 3.34Å; D809-T811 WeakPolarHBondContact OD2-CG2 3.26Å; D809-T811 PolarHBondContact OD2-OG1 3.31Å; T811-E813 PolarHBondContact O-N 3.49Å |
| 812 | E | 84.7 | Confident | 85.8 | Confident | 14 Ų | 14 | 59.8 Ų | 59.8 | 7% | 0.065 | 32% | 0.323 | C | S | . | . | trans | -83.7 | 109.2 | -178.6 | -72 | -81.5 | -153.7 | 0 | 0 | 111.4 | A696 P697 N698 A699 P808 D809 N814 | A696-E812 WeakPolarHBondContact CA-OE1 3.49Å; A696-E812 HydrophobicContact CB-CG 4.25Å; A696-E812 WeakPolarHBondContact CB-OE1 3.33Å; P697-E812 WeakPolarHBondContact CD-OE2 3.47Å; N698-E812 VanDerWaalsContact CB-OE2 3.22Å; N698-E812 WeakPolarHBondContact CB-OE2 3.47Å; N698-E812 PolarHBondContact N-OE1 2.86Å; N698-E812 PolarHBondContact N-OE2 2.66Å; N698-E812 PolarHBondContact ND2-OE2 2.87Å; A699-E812 WeakPolarHBondContact CB-OE1 3.48Å; A699-E812 PolarHBondContact N-OE1 3.27Å; P808-E812 HydrophobicContact CB-CB 4.18Å; D809-E812 HydrophobicContact CB-CG 4.19Å; D809-E812 WeakPolarHBondContact O-CB 3.47Å; D809-E812 PolarHBondContact O-N 3.19Å; D809-E812 VanDerWaalsContact O-N 3.11Å; E812-N814 PolarHBondContact O-N 3.38Å; E812-N814 PolarHBondContact O-ND2 2.81Å | ||
| 813 | E | 87.2 | Confident | 86.3 | Confident | 138 Ų | 138 | 64.1 Ų | 64.1 | 65% | 0.645 | 34% | 0.336 | S | S | * | . | trans | -66.2 | 104.3 | 174.9 | -69.4 | -173.7 | 174.6 | 0 | 0 | 111.3 | L582 P697 T811 | L582-E813 HydrophobicContact CD2-CB 4.48Å; P697-E813 WeakPolarHBondContact CG-O 3.46Å; T811-E813 PolarHBondContact O-N 3.49Å | ||
| 814 | N | 90.6 | Very high | 86.6 | Confident | 10 Ų | 10 | 60.5 Ų | 60.5 | 5% | 0.053 | 31% | 0.311 | C | S | . | . | trans | -135.2 | -170.8 | -175.8 | 69.8 | 69.8 | 0 | 0 | 0 | 111.5 | M695 E812 L816 T817 | M695-N814 HydrophobicContact CE-CB 4.29Å; M695-N814 WeakPolarHBondContact CE-OD1 3.31Å; M695-N814 WeakPolarHBondContact O-CB 3.38Å; E812-N814 PolarHBondContact O-N 3.38Å; E812-N814 PolarHBondContact O-ND2 2.81Å; N814-L816 PolarHBondContact O-N 2.9Å; N814-L816 VanDerWaalsContact OD1-CB 3.3Å; N814-L816 WeakPolarHBondContact OD1-CB 3.49Å; N814-L816 WeakPolarHBondContact OD1-CG 3.39Å; N814-L816 PolarHBondContact OD1-N 3.09Å; N814-T817 PolarHBondContact N-OG1 2.82Å; N814-T817 VanDerWaalsContact O-CB 3.25Å; N814-T817 WeakPolarHBondContact O-CB 3.32Å; N814-T817 PolarHBondContact O-N 3.31Å; N814-T817 PolarHBondContact O-OG1 3.03Å | ||
| 815 | V | 91.3 | Very high | 86.8 | Confident | 2 Ų | 2 | 65.8 Ų | 65.8 | 1% | 0.012 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63 | -25 | -177.5 | 69.9 | 0 | 0 | 0 | 0 | 113.9 | L359 P579 K580 A585 M695 Y818 F819 | L359-V815 HydrophobicContact CD1-CG1 4.04Å; L359-V815 HydrophobicContact CD1-CG2 4.35Å; P579-V815 HydrophobicContact CB-CG2 4.11Å; P579-V815 HydrophobicContact CG-CG2 3.81Å; K580-V815 WeakPolarHBondContact O-CB 3.21Å; A585-V815 HydrophobicContact CB-CG2 4.27Å; M695-V815 HydrophobicContact CE-CG1 4.32Å; M695-V815 HydrophobicContact SD-CG1 3.81Å; V815-Y818 WeakPolarHBondContact O-CB 3.43Å; V815-F819 HydrophobicContact CG2-CE2 4.32Å; V815-F819 VanDerWaalsContact O-CD2 3.26Å; V815-F819 WeakPolarHBondContact O-CD2 3.37Å |
| 816 | L | 91.6 | Very high | 87.1 | Confident | 13 Ų | 13 | 64.5 Ų | 64.5 | 7% | 0.068 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -71.4 | -36.8 | 176.7 | -56.5 | -179.8 | 0 | 0 | 0 | 111.3 | L359 Y619 M695 N814 Y818 F819 D820 P826 M828 | L359-L816 HydrophobicContact CD1-CD2 4.18Å; Y619-L816 HydrophobicContact CD1-CD1 4.08Å; Y619-L816 HydrophobicContact CD2-CD1 4.14Å; Y619-L816 HydrophobicContact CD2-CD2 3.87Å; Y619-L816 HydrophobicContact CE1-CD1 4.11Å; Y619-L816 HydrophobicContact CE2-CD1 4.21Å; Y619-L816 HydrophobicContact CE2-CD2 4.4Å; Y619-L816 HydrophobicContact CG-CD1 4.1Å; Y619-L816 HydrophobicContact CG-CD2 4.21Å; M695-L816 HydrophobicContact CE-CD1 4.09Å; M695-L816 HydrophobicContact CE-CG 4.11Å; N814-L816 PolarHBondContact O-N 2.9Å; N814-L816 VanDerWaalsContact OD1-CB 3.3Å; N814-L816 WeakPolarHBondContact OD1-CB 3.49Å; N814-L816 WeakPolarHBondContact OD1-CG 3.39Å; N814-L816 PolarHBondContact OD1-N 3.09Å; L816-Y818 PolarHBondContact O-N 3.29Å; L816-Y818 VanDerWaalsContact O-N 3.14Å; L816-F819 PolarHBondContact O-N 2.95Å; L816-D820 PolarHBondContact O-N 2.99Å; L816-P826 HydrophobicContact CB-CG 4.29Å; L816-P826 HydrophobicContact CD2-CB 4.21Å; L816-P826 HydrophobicContact CD2-CG 3.92Å; L816-M828 HydrophobicContact CD1-CE 3.99Å |
| 817 | T | 90.7 | Very high | 87.4 | Confident | 36 Ų | 36 | 62.2 Ų | 62.2 | 22% | 0.221 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -53.1 | -36 | 176.1 | -43.3 | 0 | 0 | 0 | 0 | 112.2 | N814 F819 I821 | N814-T817 PolarHBondContact N-OG1 2.82Å; N814-T817 VanDerWaalsContact O-CB 3.25Å; N814-T817 WeakPolarHBondContact O-CB 3.32Å; N814-T817 PolarHBondContact O-N 3.31Å; N814-T817 PolarHBondContact O-OG1 3.03Å; T817-F819 VanDerWaalsContact C-N 3.3Å; T817-F819 PolarHBondContact O-N 3.21Å; T817-I821 HydrophobicContact CG2-CD1 3.96Å; T817-I821 HydrophobicContact CG2-CG1 4.48Å; T817-I821 WeakPolarHBondContact O-CB 3.48Å; T817-I821 WeakPolarHBondContact O-CD1 3.27Å; T817-I821 VanDerWaalsContact O-CG1 3.24Å; T817-I821 WeakPolarHBondContact O-CG1 3.46Å; T817-I821 PolarHBondContact O-N 3.46Å; T817-I821 VanDerWaalsContact O-N 3.08Å |
| 818 | Y | 90.8 | Very high | 87.8 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.008 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.2 | -42.8 | 174.7 | -179.5 | -93.2 | 0 | 0 | 0 | 113.2 | L582 A585 E586 F589 V815 L816 R822 | L582-Y818 HydrophobicContact CD1-CD2 4.21Å; L582-Y818 HydrophobicContact CD1-CG 4.47Å; A585-Y818 HydrophobicContact CB-CD1 3.81Å; A585-Y818 HydrophobicContact CB-CD2 3.81Å; A585-Y818 HydrophobicContact CB-CE1 4.42Å; A585-Y818 HydrophobicContact CB-CE2 4.41Å; A585-Y818 HydrophobicContact CB-CG 3.5Å; E586-Y818 HydrophobicContact CB-CE2 4.36Å; E586-Y818 HydrophobicContact CG-CD2 3.72Å; E586-Y818 HydrophobicContact CG-CE2 3.87Å; F589-Y818 HydrophobicContact CB-CE1 4.02Å; F589-Y818 VanDerWaalsContact CB-OH 3.22Å; F589-Y818 WeakPolarHBondContact CB-OH 3.42Å; F589-Y818 HydrophobicContact CD2-CD1 4.22Å; F589-Y818 AromaticContact CD2-CE1 3.61Å; F589-Y818 HydrophobicContact CD2-CE1 3.61Å; F589-Y818 HydrophobicContact CG-CE1 4.22Å; V815-Y818 WeakPolarHBondContact O-CB 3.43Å; L816-Y818 PolarHBondContact O-N 3.29Å; L816-Y818 VanDerWaalsContact O-N 3.14Å; Y818-R822 VanDerWaalsContact CE2-CZ 3.43Å; Y818-R822 VanDerWaalsContact CZ-CZ 3.48Å; Y818-R822 PolarHBondContact O-NH1 2.94Å; Y818-R822 VanDerWaalsContact OH-CZ 3.31Å; Y818-R822 PolarHBondContact OH-NE 2.98Å |
| 819 | F | 90.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -82.8 | -38.9 | -175 | -63.4 | -70.3 | 0 | 0 | 0 | 111.4 | L359 P579 F589 P614 V617 V815 L816 T817 R822 E823 I824 | L359-F819 HydrophobicContact CD1-CE2 4.02Å; P579-F819 HydrophobicContact CG-CZ 4.45Å; F589-F819 HydrophobicContact CD2-CE1 4.35Å; F589-F819 AromaticContact CE2-CE1 3.83Å; F589-F819 HydrophobicContact CE2-CE1 3.83Å; F589-F819 AromaticContact CE2-CZ 3.76Å; F589-F819 HydrophobicContact CE2-CZ 3.76Å; F589-F819 HydrophobicContact CZ-CE1 4.5Å; F589-F819 HydrophobicContact CZ-CZ 4.48Å; P614-F819 HydrophobicContact CG-CD1 4.39Å; P614-F819 HydrophobicContact CG-CE1 3.61Å; P614-F819 HydrophobicContact CG-CZ 4.29Å; V617-F819 HydrophobicContact CG1-CD2 4.27Å; V617-F819 HydrophobicContact CG1-CE2 4.3Å; V617-F819 HydrophobicContact CG2-CB 4.34Å; V617-F819 HydrophobicContact CG2-CD1 3.59Å; V617-F819 HydrophobicContact CG2-CD2 3.96Å; V617-F819 HydrophobicContact CG2-CE1 3.73Å; V617-F819 HydrophobicContact CG2-CE2 4.08Å; V617-F819 HydrophobicContact CG2-CG 3.71Å; V617-F819 HydrophobicContact CG2-CZ 3.95Å; V815-F819 HydrophobicContact CG2-CE2 4.32Å; V815-F819 VanDerWaalsContact O-CD2 3.26Å; V815-F819 WeakPolarHBondContact O-CD2 3.37Å; L816-F819 PolarHBondContact O-N 2.95Å; T817-F819 VanDerWaalsContact C-N 3.3Å; T817-F819 PolarHBondContact O-N 3.21Å; F819-R822 CarbonylContact O-C 3.49Å; F819-R822 WeakPolarHBondContact O-CA 3.35Å; F819-R822 PolarHBondContact O-N 3.18Å; F819-E823 PolarHBondContact O-N 3Å; F819-I824 HydrophobicContact CB-CB 4.19Å; F819-I824 WeakPolarHBondContact CB-O 3.24Å; F819-I824 HydrophobicContact CD1-CB 4.49Å; F819-I824 HydrophobicContact CD1-CD1 4.44Å; F819-I824 HydrophobicContact CD1-CG2 4.5Å; F819-I824 PolarHBondContact O-N 3.4Å |
| 820 | D | 88.2 | Confident | 88.8 | Confident | 68 Ų | 68 | 59.9 Ų | 59.9 | 36% | 0.364 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.2 | -38.9 | 176 | -73.7 | -50.7 | 0 | 0 | 0 | 112.3 | L816 R822 E823 H825 P826 | L816-D820 PolarHBondContact O-N 2.99Å; D820-R822 PolarHBondContact O-N 3.42Å; D820-R822 VanDerWaalsContact O-N 3.13Å; D820-E823 PolarHBondContact O-N 3.23Å; D820-E823 VanDerWaalsContact O-N 3.13Å; D820-H825 IonicContact OD1-CE1 3.98Å; D820-H825 IonicContact OD1-CG 2.68Å; D820-H825 IonicContact OD1-ND1 2.84Å; D820-H825 PolarHBondContact OD1-ND1 3.02Å; D820-P826 VanDerWaalsContact OD1-CD 3.27Å; D820-P826 WeakPolarHBondContact OD1-CD 3.43Å |
| 821 | I | 87.2 | Confident | 89.4 | Confident | 104 Ų | 104 | 50.6 Ų | 50.6 | 53% | 0.533 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -23 | 172 | -72.3 | 169 | 0 | 0 | 0 | 112.4 | T817 | T817-I821 HydrophobicContact CG2-CD1 3.96Å; T817-I821 HydrophobicContact CG2-CG1 4.48Å; T817-I821 WeakPolarHBondContact O-CB 3.48Å; T817-I821 WeakPolarHBondContact O-CD1 3.27Å; T817-I821 VanDerWaalsContact O-CG1 3.24Å; T817-I821 WeakPolarHBondContact O-CG1 3.46Å; T817-I821 PolarHBondContact O-N 3.46Å; T817-I821 VanDerWaalsContact O-N 3.08Å |
| 822 | R | 87.5 | Confident | 89.8 | Confident | 50 Ų | 50 | 48.8 Ų | 48.8 | 19% | 0.189 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 16.9 | -178.8 | -69.1 | 178.8 | 171.2 | 73.5 | 0.5 | 113.3 | S606 Q607 Y818 F819 D820 I824 | S606-R822 PolarHBondContact O-NE 3.35Å; Q607-R822 PolarHBondContact O-NE 3.34Å; Q607-R822 PolarHBondContact O-NH2 2.81Å; Y818-R822 VanDerWaalsContact CE2-CZ 3.43Å; Y818-R822 VanDerWaalsContact CZ-CZ 3.48Å; Y818-R822 PolarHBondContact O-NH1 2.94Å; Y818-R822 VanDerWaalsContact OH-CZ 3.31Å; Y818-R822 PolarHBondContact OH-NE 2.98Å; F819-R822 CarbonylContact O-C 3.49Å; F819-R822 WeakPolarHBondContact O-CA 3.35Å; F819-R822 PolarHBondContact O-N 3.18Å; D820-R822 PolarHBondContact O-N 3.42Å; D820-R822 VanDerWaalsContact O-N 3.13Å; R822-I824 HydrophobicContact CB-CD1 4.42Å; R822-I824 PolarHBondContact O-N 2.87Å |
| 823 | E | 88.4 | Confident | 89.9 | Confident | 170 Ų | 170 | 56.5 Ų | 56.5 | 79% | 0.794 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | 17.1 | 179.1 | -51.3 | -175.4 | 157.9 | 0 | 0 | 114.4 | F819 D820 H825 | F819-E823 PolarHBondContact O-N 3Å; D820-E823 PolarHBondContact O-N 3.23Å; D820-E823 VanDerWaalsContact O-N 3.13Å; E823-H825 PolarHBondContact O-N 3.39Å |
| 824 | I | 88.7 | Confident | 89.9 | Confident | 31 Ų | 31 | 50.9 Ų | 50.9 | 16% | 0.159 | 25% | 0.249 | C | C | . | . | trans | -95.5 | 71.6 | 176.6 | -52.7 | 168.5 | 0 | 0 | 0 | 108.9 | T613 V617 F819 R822 P826 | T613-I824 HydrophobicContact CG2-CD1 3.52Å; V617-I824 HydrophobicContact CG2-CG2 3.91Å; F819-I824 HydrophobicContact CB-CB 4.19Å; F819-I824 WeakPolarHBondContact CB-O 3.24Å; F819-I824 HydrophobicContact CD1-CB 4.49Å; F819-I824 HydrophobicContact CD1-CD1 4.44Å; F819-I824 HydrophobicContact CD1-CG2 4.5Å; F819-I824 PolarHBondContact O-N 3.4Å; R822-I824 HydrophobicContact CB-CD1 4.42Å; R822-I824 PolarHBondContact O-N 2.87Å; I824-P826 WeakPolarHBondContact O-CD 3.42Å | ||
| 825 | H | 88.9 | Confident | 89.5 | Confident | 131 Ų | 131 | 56.1 Ų | 56.1 | 61% | 0.606 | 29% | 0.286 | S | S | * | . | trans | -61.9 | 123.1 | -174.4 | -66 | -51.1 | 0 | 0 | 0 | 113.3 | D820 E823 | D820-H825 IonicContact OD1-CE1 3.98Å; D820-H825 IonicContact OD1-CG 2.68Å; D820-H825 IonicContact OD1-ND1 2.84Å; D820-H825 PolarHBondContact OD1-ND1 3.02Å; E823-H825 PolarHBondContact O-N 3.39Å | ||
| 826 | P | 91 | Very high | 89.3 | Confident | 19 Ų | 19 | 57.3 Ų | 57.3 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | trans | -64.9 | 133.5 | -179.6 | -24 | 34.7 | 0 | 0 | 0 | 114.1 | V617 L816 D820 I824 M828 | V617-P826 HydrophobicContact CB-CB 4.36Å; V617-P826 HydrophobicContact CG1-CB 4.16Å; V617-P826 HydrophobicContact CG1-CG 4.35Å; L816-P826 HydrophobicContact CB-CG 4.29Å; L816-P826 HydrophobicContact CD2-CB 4.21Å; L816-P826 HydrophobicContact CD2-CG 3.92Å; D820-P826 VanDerWaalsContact OD1-CD 3.27Å; D820-P826 WeakPolarHBondContact OD1-CD 3.43Å; I824-P826 WeakPolarHBondContact O-CD 3.42Å; P826-M828 HydrophobicContact CB-SD 4.08Å; P826-M828 PolarHBondContact O-N 3.16Å | ||
| 827 | I | 92.6 | Very high | 88.9 | Confident | 22 Ų | 22 | 60.8 Ų | 60.8 | 11% | 0.113 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 94.5 | 173.7 | -55.2 | 164.2 | 0 | 0 | 0 | 108.5 | Y616 V617 I618 Y619 I829 V855 | Y616-I827 HydrophobicContact CD1-CD1 4.18Å; V617-I827 PolarHBondContact O-N 2.93Å; I618-I827 HydrophobicContact CG1-CB 4.49Å; I618-I827 HydrophobicContact CG1-CD1 4.12Å; Y619-I827 PolarHBondContact N-O 3.44Å; I827-I829 HydrophobicContact CG2-CD1 4.44Å; I827-I829 HydrophobicContact CG2-CG1 4.24Å; I827-I829 PolarHBondContact O-N 3.34Å; I827-V855 HydrophobicContact CD1-CB 3.99Å; I827-V855 HydrophobicContact CD1-CG1 3.5Å; I827-V855 VanDerWaalsContact CD1-CG1 3.5Å; I827-V855 HydrophobicContact CD1-CG2 4.49Å; I827-V855 HydrophobicContact CG1-CG1 4.1Å |
| 828 | M | 91 | Very high | 88.4 | Confident | 85 Ų | 85 | 62.3 Ų | 62.3 | 42% | 0.419 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 123.6 | 179 | -53.9 | -56.7 | -113.6 | 0 | 0 | 111.3 | Y619 I621 L816 P826 K851 | Y619-M828 HydrophobicContact CD1-CE 3.65Å; Y619-M828 HydrophobicContact CD1-SD 3.49Å; Y619-M828 WeakPolarHBondContact CD1-SD 3.35Å; Y619-M828 HydrophobicContact CE1-CE 4.16Å; Y619-M828 HydrophobicContact CG-SD 3.94Å; I621-M828 HydrophobicContact CD1-CB 4.29Å; I621-M828 HydrophobicContact CD1-CE 4.27Å; L816-M828 HydrophobicContact CD1-CE 3.99Å; P826-M828 HydrophobicContact CB-SD 4.08Å; P826-M828 PolarHBondContact O-N 3.16Å; M828-K851 PolarHBondContact O-NZ 3.04Å |
| 829 | I | 92.2 | Very high | 87.8 | Confident | 7 Ų | 7 | 66 Ų | 66 | 4% | 0.036 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 113.3 | 175.4 | -48.9 | -173.9 | 0 | 0 | 0 | 109.1 | I618 Y619 L620 I621 I827 M831 C848 K851 V852 | I618-I829 HydrophobicContact CG2-CD1 4.08Å; Y619-I829 PolarHBondContact O-N 2.92Å; L620-I829 HydrophobicContact CD2-CB 3.92Å; L620-I829 HydrophobicContact CD2-CD1 4.18Å; L620-I829 HydrophobicContact CD2-CG1 4.37Å; L620-I829 HydrophobicContact CD2-CG2 4.49Å; I621-I829 PolarHBondContact N-O 3.15Å; I827-I829 HydrophobicContact CG2-CD1 4.44Å; I827-I829 HydrophobicContact CG2-CG1 4.24Å; I827-I829 PolarHBondContact O-N 3.34Å; I829-M831 HydrophobicContact CG2-SD 3.76Å; I829-C848 HydrophobicContact CG2-CB 4.48Å; I829-K851 HydrophobicContact CD1-CD 4.31Å; I829-K851 HydrophobicContact CG1-CD 4.15Å; I829-V852 HydrophobicContact CD1-CG2 3.54Å |
| 830 | N | 91.7 | Very high | 86.9 | Confident | 55 Ų | 55 | 70.2 Ų | 70.2 | 29% | 0.294 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 113 | 173.7 | -179.7 | -54.1 | 0 | 0 | 0 | 109.5 | D832 K833 | N830-D832 WeakPolarHBondContact OD1-CA 3.43Å; N830-D832 WeakPolarHBondContact OD1-CB 3Å; N830-D832 PolarHBondContact OD1-N 2.98Å; N830-K833 HydrophobicContact CB-CD 4.41Å; N830-K833 PolarHBondContact OD1-N 3.43Å; N830-K833 VanDerWaalsContact OD1-N 3.11Å |
| 831 | M | 91.3 | Very high | 85.8 | Confident | 4 Ų | 4 | 75 Ų | 75 | 2% | 0.02 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -83.6 | -12.5 | -176.7 | -56.7 | -58.1 | -59.9 | 0 | 0 | 113.7 | I364 L620 I621 L626 I829 D834 Q845 C848 | I364-M831 HydrophobicContact CD1-CB 3.75Å; I364-M831 HydrophobicContact CD1-CG 3.72Å; I364-M831 HydrophobicContact CG1-CB 4.49Å; I364-M831 HydrophobicContact CG1-CG 3.91Å; L620-M831 HydrophobicContact CB-CG 4.32Å; L620-M831 HydrophobicContact CD2-SD 4.07Å; I621-M831 WeakPolarHBondContact O-CB 3.49Å; I621-M831 WeakPolarHBondContact O-CG 3.17Å; I621-M831 PolarHBondContact O-N 2.97Å; L626-M831 HydrophobicContact CD2-CB 3.76Å; I829-M831 HydrophobicContact CG2-SD 3.76Å; M831-D834 HydrophobicContact CE-CB 4.38Å; M831-D834 PolarHBondContact O-N 3.18Å; M831-Q845 HydrophobicContact CE-CB 4.14Å; M831-Q845 HydrophobicContact CE-CG 4.17Å; M831-C848 HydrophobicContact CE-CB 3.84Å; M831-C848 HydrophobicContact SD-CB 4.05Å |
| 832 | D | 88.5 | Confident | 84.7 | Confident | 63 Ų | 63 | 76.2 Ų | 76.2 | 34% | 0.337 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -71.6 | -23.3 | 170.8 | -51.8 | -77.5 | 0 | 0 | 0 | 111.5 | G622 S623 L626 N830 | G622-D832 VanDerWaalsContact CA-OD2 3.29Å; G622-D832 WeakPolarHBondContact CA-OD2 3.24Å; S623-D832 VanDerWaalsContact CB-OD1 3.22Å; S623-D832 WeakPolarHBondContact CB-OD1 3.25Å; S623-D832 PolarHBondContact N-OD1 2.84Å; S623-D832 PolarHBondContact N-OD2 2.83Å; S623-D832 PolarHBondContact OG-OD1 3.45Å; L626-D832 WeakPolarHBondContact CB-OD1 3.3Å; L626-D832 WeakPolarHBondContact CD2-OD1 3.49Å; N830-D832 WeakPolarHBondContact OD1-CA 3.43Å; N830-D832 WeakPolarHBondContact OD1-CB 3Å; N830-D832 PolarHBondContact OD1-N 2.98Å |
| 833 | K | 88.6 | Confident | 84 | Confident | 176 Ų | 176 | 74.5 Ų | 74.5 | 77% | 0.765 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -89.2 | -5.3 | 174.8 | -64.1 | -179.8 | -176 | -177.7 | 0 | 113.4 | N830 S835 | N830-K833 HydrophobicContact CB-CD 4.41Å; N830-K833 PolarHBondContact OD1-N 3.43Å; N830-K833 VanDerWaalsContact OD1-N 3.11Å; K833-S835 PolarHBondContact O-N 3.05Å |
| 834 | D | 85.6 | Confident | 83.8 | Confident | 21 Ų | 21 | 66.5 Ų | 66.5 | 11% | 0.112 | 36% | 0.36 | C | S | . | . | trans | -98.3 | 88.8 | -176.8 | -166.3 | -14.4 | 0 | 0 | 0 | 111.7 | M831 S836 Q845 C848 | M831-D834 HydrophobicContact CE-CB 4.38Å; M831-D834 PolarHBondContact O-N 3.18Å; D834-S836 VanDerWaalsContact C-N 3.31Å; D834-S836 VanDerWaalsContact OD1-CB 3.24Å; D834-S836 WeakPolarHBondContact OD1-CB 3.27Å; D834-S836 PolarHBondContact OD1-N 2.89Å; D834-S836 PolarHBondContact OD1-OG 2.97Å; D834-Q845 HydrophobicContact CB-CG 4.35Å; D834-Q845 WeakPolarHBondContact OD2-CB 3.24Å; D834-C848 WeakPolarHBondContact OD2-CA 3.39Å; D834-C848 WeakPolarHBondContact OD2-CB 3.5Å; D834-C848 PolarHBondContact OD2-N 3.11Å | ||
| 835 | S | 83.7 | Confident | 83.6 | Confident | 120 Ų | 120 | 66.1 Ų | 66.1 | 84% | 0.839 | 36% | 0.357 | S | S | * | . | trans | -89.2 | 13.6 | 175.7 | -48.9 | 0 | 0 | 0 | 0 | 113.5 | K833 | K833-S835 PolarHBondContact O-N 3.05Š| ||
| 836 | S | 85.8 | Confident | 83.6 | Confident | 26 Ų | 26 | 64.8 Ų | 64.8 | 18% | 0.182 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 154 | -178.9 | 67.8 | 0 | 0 | 0 | 0 | 112 | D834 Q845 E846 A847 | D834-S836 VanDerWaalsContact C-N 3.31Å; D834-S836 VanDerWaalsContact OD1-CB 3.24Å; D834-S836 WeakPolarHBondContact OD1-CB 3.27Å; D834-S836 PolarHBondContact OD1-N 2.89Å; D834-S836 PolarHBondContact OD1-OG 2.97Å; S836-Q845 WeakPolarHBondContact OG-CB 3.41Å; S836-E846 PolarHBondContact OG-N 3.09Å; S836-E846 VanDerWaalsContact OG-N 3.13Å; S836-A847 PolarHBondContact OG-N 3.12Å |
| 837 | P | 83.2 | Confident | 83.5 | Confident | 87 Ų | 87 | 66.2 Ų | 66.2 | 57% | 0.565 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 155.8 | 176.7 | 27.8 | -35.4 | 0 | 0 | 0 | 111.3 | E846 | P837-E846 PolarHBondContact O-N 3.14Å; P837-E846 VanDerWaalsContact O-N 3.09Å |
| 838 | V | 81.1 | Confident | 83.4 | Confident | 68 Ų | 68 | 65.3 Ų | 65.3 | 41% | 0.412 | 36% | 0.36 | S | S | . | . | B | Isolated β-bridge | trans | -82.6 | 127.8 | 171.7 | -166.3 | 0 | 0 | 0 | 0 | 108.2 | M840 G843 P844 | V838-M840 VanDerWaalsContact C-N 3.25Å; V838-M840 WeakPolarHBondContact CG1-O 3.35Å; V838-M840 PolarHBondContact O-N 3.21Å; V838-G843 WeakPolarHBondContact CG1-O 3.47Å; V838-P844 WeakPolarHBondContact CG1-O 3.3Å |
| 839 | I | 77.1 | Confident | 83.3 | Confident | 78 Ų | 78 | 61.6 Ų | 61.6 | 40% | 0.4 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -60.7 | -34.9 | -169.9 | -58.3 | 171.4 | 0 | 0 | 0 | 112.4 | P844 E846 L849 | I839-P844 HydrophobicContact CD1-CG 4.42Å; I839-P844 PolarHBondContact N-O 2.89Å; I839-E846 HydrophobicContact CG1-CB 4.07Å; I839-E846 HydrophobicContact CG1-CG 4.45Å; I839-L849 HydrophobicContact CD1-CB 4.3Å; I839-L849 HydrophobicContact CD1-CD2 3.31Å; I839-L849 HydrophobicContact CD1-CG 4.43Å |
| 840 | M | 71.9 | Confident | 83.2 | Confident | 90 Ų | 90 | 65 Ų | 65 | 44% | 0.443 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -143.1 | 168.5 | 174.8 | -65.9 | -170.1 | -64 | 0 | 0 | 109.6 | E372 V838 N842 G843 | E372-M840 WeakPolarHBondContact OE1-CE 3.49Å; V838-M840 VanDerWaalsContact C-N 3.25Å; V838-M840 WeakPolarHBondContact CG1-O 3.35Å; V838-M840 PolarHBondContact O-N 3.21Å; M840-N842 PolarHBondContact O-N 3.13Å; M840-N842 VanDerWaalsContact O-N 3.11Å; M840-G843 PolarHBondContact O-N 3.14Å |
| 841 | L | 64.9 | Low | 83.2 | Confident | 167 Ų | 167 | 67 Ų | 67 | 87% | 0.874 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 118.9 | 172.4 | -165.1 | 74.9 | 0 | 0 | 0 | 109.5 | ||
| 842 | N | 65.3 | Low | 83.1 | Confident | 130 Ų | 130 | 66.8 Ų | 66.8 | 70% | 0.695 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 19.6 | -172.6 | -52 | -38.1 | 0 | 0 | 0 | 116.8 | T368 M840 | T368-N842 WeakPolarHBondContact CB-O 3.15Å; T368-N842 WeakPolarHBondContact CG2-O 3.48Å; M840-N842 PolarHBondContact O-N 3.13Å; M840-N842 VanDerWaalsContact O-N 3.11Å |
| 843 | G | 72.7 | Confident | 83.1 | Confident | 14 Ų | 14 | 68.5 Ų | 68.5 | 14% | 0.144 | 37% | 0.365 | C | S | . | . | trans | -75.6 | -172.5 | 172 | 0 | 0 | 0 | 0 | 0 | 114.8 | T368 V838 M840 | T368-G843 PolarHBondContact OG1-O 3.22Å; V838-G843 WeakPolarHBondContact CG1-O 3.47Å; M840-G843 PolarHBondContact O-N 3.14Å | ||
| 844 | P | 83.1 | Confident | 83.1 | Confident | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.013 | 36% | 0.358 | C | S | . | . | trans | -81.4 | 165.1 | 164.3 | 34.6 | -33.7 | 0 | 0 | 0 | 111.7 | L369 E372 V838 I839 | L369-P844 HydrophobicContact CB-CB 4.24Å; L369-P844 HydrophobicContact CD1-CB 4.26Å; E372-P844 HydrophobicContact CB-CG 4.08Å; E372-P844 VanDerWaalsContact CG-CD 3.46Å; E372-P844 HydrophobicContact CG-CG 3.79Å; V838-P844 WeakPolarHBondContact CG1-O 3.3Å; I839-P844 HydrophobicContact CD1-CG 4.42Å; I839-P844 PolarHBondContact N-O 2.89Å | ||
| 845 | Q | 86.4 | Confident | 83.2 | Confident | 24 Ų | 24 | 69.2 Ų | 69.2 | 11% | 0.112 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -61.9 | 139.2 | 164.5 | -83.6 | 73.5 | 34.2 | 0 | 0 | 111.3 | R630 M831 D834 S836 C848 L849 | R630-Q845 VanDerWaalsContact NH2-CD 3.31Å; R630-Q845 VanDerWaalsContact NH2-NE2 3.15Å; R630-Q845 VanDerWaalsContact NH2-OE1 3.09Å; M831-Q845 HydrophobicContact CE-CB 4.14Å; M831-Q845 HydrophobicContact CE-CG 4.17Å; D834-Q845 HydrophobicContact CB-CG 4.35Å; D834-Q845 WeakPolarHBondContact OD2-CB 3.24Å; S836-Q845 WeakPolarHBondContact OG-CB 3.41Å; Q845-C848 HydrophobicContact CB-CB 4.02Å; Q845-L849 PolarHBondContact O-N 3.04Å; Q845-L849 VanDerWaalsContact O-N 3.16Å |
| 846 | E | 87.4 | Confident | 83.2 | Confident | 103 Ų | 103 | 64.2 Ų | 64.2 | 48% | 0.481 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 180 | -173.5 | 178.7 | -166.6 | 0 | 0 | 112.7 | S836 P837 I839 L849 E850 | S836-E846 PolarHBondContact OG-N 3.09Å; S836-E846 VanDerWaalsContact OG-N 3.13Å; P837-E846 PolarHBondContact O-N 3.14Å; P837-E846 VanDerWaalsContact O-N 3.09Å; I839-E846 HydrophobicContact CG1-CB 4.07Å; I839-E846 HydrophobicContact CG1-CG 4.45Å; E846-L849 PolarHBondContact O-N 3.43Å; E846-E850 VanDerWaalsContact O-CB 3.23Å; E846-E850 WeakPolarHBondContact O-CB 3.37Å; E846-E850 PolarHBondContact O-N 3.07Å |
| 847 | A | 89.1 | Confident | 82.7 | Confident | 49 Ų | 49 | 64.2 Ų | 64.2 | 41% | 0.405 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.2 | -36.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | S836 E850 K851 | S836-A847 PolarHBondContact OG-N 3.12Å; A847-E850 PolarHBondContact O-N 2.97Å; A847-K851 WeakPolarHBondContact O-CB 3.32Å; A847-K851 PolarHBondContact O-N 3.46Å |
| 848 | C | 90.6 | Very high | 81.7 | Confident | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.02 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -56.1 | -52.5 | 169.2 | 177.4 | 0 | 0 | 0 | 0 | 111.4 | I829 M831 D834 Q845 E850 K851 V852 | I829-C848 HydrophobicContact CG2-CB 4.48Å; M831-C848 HydrophobicContact CE-CB 3.84Å; M831-C848 HydrophobicContact SD-CB 4.05Å; D834-C848 WeakPolarHBondContact OD2-CA 3.39Å; D834-C848 WeakPolarHBondContact OD2-CB 3.5Å; D834-C848 PolarHBondContact OD2-N 3.11Å; Q845-C848 HydrophobicContact CB-CB 4.02Å; C848-E850 PolarHBondContact O-N 2.97Å; C848-K851 PolarHBondContact O-N 3.4Å; C848-V852 WeakPolarHBondContact O-CG2 3.22Å; C848-V852 PolarHBondContact O-N 3.22Å; C848-V852 VanDerWaalsContact O-N 3.08Å |
| 849 | L | 90.1 | Very high | 80.3 | Confident | 7 Ų | 7 | 70.7 Ų | 70.7 | 4% | 0.037 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 179.7 | -177.4 | 69.8 | 0 | 0 | 0 | 111.5 | L369 E372 L373 I376 I839 Q845 E846 K851 V852 R853 | L369-L849 HydrophobicContact CD1-CB 4.4Å; L369-L849 HydrophobicContact CD1-CD1 3.82Å; E372-L849 HydrophobicContact CB-CD1 4.41Å; L373-L849 HydrophobicContact CD2-CD1 3.71Å; L373-L849 HydrophobicContact CG-CD1 4.03Å; I376-L849 HydrophobicContact CD1-CD1 4.05Å; I376-L849 HydrophobicContact CD1-CD2 3.89Å; I376-L849 HydrophobicContact CD1-CG 4.4Å; I839-L849 HydrophobicContact CD1-CB 4.3Å; I839-L849 HydrophobicContact CD1-CD2 3.31Å; I839-L849 HydrophobicContact CD1-CG 4.43Å; Q845-L849 PolarHBondContact O-N 3.04Å; Q845-L849 VanDerWaalsContact O-N 3.16Å; E846-L849 PolarHBondContact O-N 3.43Å; L849-K851 VanDerWaalsContact C-N 3.33Å; L849-K851 PolarHBondContact O-N 3.42Å; L849-V852 PolarHBondContact O-N 3.38Å; L849-R853 HydrophobicContact CG-CG 4.46Å; L849-R853 WeakPolarHBondContact O-CB 3.24Å; L849-R853 WeakPolarHBondContact O-CG 3.23Å; L849-R853 PolarHBondContact O-N 2.68Å |
| 850 | E | 88.9 | Confident | 78.6 | Confident | 78 Ų | 78 | 74.9 Ų | 74.9 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.7 | -39.1 | 178.9 | -174 | 68.9 | -172.8 | 0 | 0 | 111.9 | E846 A847 C848 K854 | E846-E850 VanDerWaalsContact O-CB 3.23Å; E846-E850 WeakPolarHBondContact O-CB 3.37Å; E846-E850 PolarHBondContact O-N 3.07Å; A847-E850 PolarHBondContact O-N 2.97Å; C848-E850 PolarHBondContact O-N 2.97Å; E850-K854 HydrophobicContact CG-CD 4.39Å; E850-K854 VanDerWaalsContact CG-NZ 3.31Å; E850-K854 WeakPolarHBondContact O-CB 3.2Å; E850-K854 WeakPolarHBondContact O-CG 3.25Å; E850-K854 PolarHBondContact O-N 2.97Å; E850-K854 WeakPolarHBondContact OE1-CE 3.29Å; E850-K854 IonicContact OE1-NZ 3.51Å; E850-K854 PolarHBondContact OE1-NZ 3.39Å |
| 851 | K | 91.3 | Very high | 76.9 | Confident | 96 Ų | 96 | 74.3 Ų | 74.3 | 42% | 0.417 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 174.1 | -173 | -179 | 178.3 | -170.9 | 0 | 111.4 | M828 I829 A847 C848 L849 K854 V855 | M828-K851 PolarHBondContact O-NZ 3.04Å; I829-K851 HydrophobicContact CD1-CD 4.31Å; I829-K851 HydrophobicContact CG1-CD 4.15Å; A847-K851 WeakPolarHBondContact O-CB 3.32Å; A847-K851 PolarHBondContact O-N 3.46Å; C848-K851 PolarHBondContact O-N 3.4Å; L849-K851 VanDerWaalsContact C-N 3.33Å; L849-K851 PolarHBondContact O-N 3.42Å; K851-K854 PolarHBondContact O-N 2.91Å; K851-V855 PolarHBondContact O-N 2.87Å |
| 852 | V | 90.6 | Very high | 75.7 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.1 | -47.1 | 176.4 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | L369 L373 I618 I829 C848 L849 K854 V855 I856 | L369-V852 HydrophobicContact CD2-CG2 4.39Å; L373-V852 HydrophobicContact CD1-CG1 3.92Å; L373-V852 HydrophobicContact CD2-CG1 3.79Å; I618-V852 HydrophobicContact CD1-CB 4.46Å; I618-V852 HydrophobicContact CD1-CG1 3.56Å; I618-V852 HydrophobicContact CD1-CG2 3.99Å; I618-V852 HydrophobicContact CG1-CG2 4.41Å; I618-V852 HydrophobicContact CG2-CG2 4.16Å; I829-V852 HydrophobicContact CD1-CG2 3.54Å; C848-V852 WeakPolarHBondContact O-CG2 3.22Å; C848-V852 PolarHBondContact O-N 3.22Å; C848-V852 VanDerWaalsContact O-N 3.08Å; L849-V852 PolarHBondContact O-N 3.38Å; V852-K854 VanDerWaalsContact C-N 3.28Å; V852-K854 PolarHBondContact O-N 3.18Å; V852-V855 PolarHBondContact O-N 3.33Å; V852-V855 VanDerWaalsContact O-N 3.1Å; V852-I856 HydrophobicContact CG1-CD1 3.51Å; V852-I856 HydrophobicContact CG1-CG1 4.19Å; V852-I856 PolarHBondContact O-N 2.84Å |
| 853 | R | 88 | Confident | 74.6 | Confident | 100 Ų | 100 | 75.5 Ų | 75.5 | 38% | 0.377 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57.3 | -38.1 | 176.9 | -76.7 | 178.2 | 127.6 | 178.8 | 2.7 | 113 | L849 V855 G857 | L849-R853 HydrophobicContact CG-CG 4.46Å; L849-R853 WeakPolarHBondContact O-CB 3.24Å; L849-R853 WeakPolarHBondContact O-CG 3.23Å; L849-R853 PolarHBondContact O-N 2.68Å; R853-V855 VanDerWaalsContact C-N 3.35Å; R853-G857 CarbonylContact O-C 3.39Å; R853-G857 VanDerWaalsContact O-CA 3.26Å; R853-G857 WeakPolarHBondContact O-CA 3.39Å; R853-G857 PolarHBondContact O-N 3.45Å |
| 854 | K | 88.3 | Confident | 73.1 | Confident | 145 Ų | 145 | 75.2 Ų | 75.2 | 63% | 0.63 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -67.3 | -31.4 | 177 | -78.8 | 167.4 | -178.7 | 157.4 | 0 | 113.5 | E850 K851 V852 | E850-K854 HydrophobicContact CG-CD 4.39Å; E850-K854 VanDerWaalsContact CG-NZ 3.31Å; E850-K854 WeakPolarHBondContact O-CB 3.2Å; E850-K854 WeakPolarHBondContact O-CG 3.25Å; E850-K854 PolarHBondContact O-N 2.97Å; E850-K854 WeakPolarHBondContact OE1-CE 3.29Å; E850-K854 IonicContact OE1-NZ 3.51Å; E850-K854 PolarHBondContact OE1-NZ 3.39Å; K851-K854 PolarHBondContact O-N 2.91Å; V852-K854 VanDerWaalsContact C-N 3.28Å; V852-K854 PolarHBondContact O-N 3.18Å |
| 855 | V | 86.6 | Confident | 71 | Confident | 67 Ų | 67 | 77.5 Ų | 77.5 | 41% | 0.406 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -83.6 | -41.6 | 178.7 | -179.5 | 0 | 0 | 0 | 0 | 112.2 | Y616 I827 K851 V852 R853 G857 | Y616-V855 HydrophobicContact CD1-CG1 4.3Å; Y616-V855 HydrophobicContact CE1-CG1 4.18Å; I827-V855 HydrophobicContact CD1-CB 3.99Å; I827-V855 HydrophobicContact CD1-CG1 3.5Å; I827-V855 VanDerWaalsContact CD1-CG1 3.5Å; I827-V855 HydrophobicContact CD1-CG2 4.49Å; I827-V855 HydrophobicContact CG1-CG1 4.1Å; K851-V855 PolarHBondContact O-N 2.87Å; V852-V855 PolarHBondContact O-N 3.33Å; V852-V855 VanDerWaalsContact O-N 3.1Å; R853-V855 VanDerWaalsContact C-N 3.35Å; V855-G857 PolarHBondContact O-N 3.46Å |
| 856 | I | 84.5 | Confident | 68.9 | Low | 15 Ų | 15 | 81 Ų | 81 | 8% | 0.077 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -68.9 | -27.7 | 174 | -62.8 | 175.9 | 0 | 0 | 0 | 110.9 | L354 L356 Y377 Y616 V852 | L354-I856 HydrophobicContact CD1-CG2 4.43Å; L354-I856 HydrophobicContact CD2-CG2 3.61Å; L356-I856 HydrophobicContact CD1-CD1 3.71Å; L356-I856 HydrophobicContact CD2-CD1 3.8Å; L356-I856 HydrophobicContact CD2-CG1 4.34Å; L356-I856 HydrophobicContact CG-CD1 4.46Å; Y377-I856 HydrophobicContact CD1-CG2 4.36Å; Y377-I856 HydrophobicContact CE1-CG2 3.62Å; Y377-I856 HydrophobicContact CE2-CD1 4.22Å; Y377-I856 HydrophobicContact CE2-CG2 4.25Å; Y616-I856 HydrophobicContact CD2-CG1 4.4Å; V852-I856 HydrophobicContact CG1-CD1 3.51Å; V852-I856 HydrophobicContact CG1-CG1 4.19Å; V852-I856 PolarHBondContact O-N 2.84Å |
| 857 | G | 76.1 | Confident | 66.8 | Low | 26 Ų | 26 | 77.7 Ų | 77.7 | 27% | 0.268 | 40% | 0.396 | S | S | . | . | trans | 80.8 | 169.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y377 R853 V855 R859 | Y377-G857 PolarHBondContact OH-O 3.42Å; R853-G857 CarbonylContact O-C 3.39Å; R853-G857 VanDerWaalsContact O-CA 3.26Å; R853-G857 WeakPolarHBondContact O-CA 3.39Å; R853-G857 PolarHBondContact O-N 3.45Å; V855-G857 PolarHBondContact O-N 3.46Å; G857-R859 PolarHBondContact O-N 2.93Å; G857-R859 VanDerWaalsContact O-N 3.16Å | ||
| 858 | Q | 60.9 | Low | 64.6 | Low | 186 Ų | 186 | 79.5 Ų | 79.5 | 87% | 0.869 | 40% | 0.396 | S | S | * | . | trans | -70.9 | 106.7 | 156.5 | -71.3 | -174 | 6.5 | 0 | 0 | 106.8 | E860 | Q858-E860 VanDerWaalsContact C-N 3.28Å; Q858-E860 PolarHBondContact O-N 3.13Å | ||
| 859 | R | 53.1 | Low | 62.4 | Low | 105 Ų | 105 | 80.9 Ų | 80.9 | 40% | 0.396 | 40% | 0.403 | S | S | . | . | trans | -64.6 | 105.4 | 147.1 | -74.8 | -174.6 | 167.2 | -145.6 | -5.2 | 105.5 | K352 Y377 G857 A861 | K352-R859 PolarHBondContact O-NH1 2.85Å; K352-R859 PolarHBondContact O-NH2 3.09Å; Y377-R859 HydrophobicContact CD1-CB 4.21Å; Y377-R859 HydrophobicContact CD1-CG 4.42Å; Y377-R859 HydrophobicContact CE1-CB 4.23Å; Y377-R859 HydrophobicContact CE1-CG 4.39Å; G857-R859 PolarHBondContact O-N 2.93Å; G857-R859 VanDerWaalsContact O-N 3.16Å; R859-A861 PolarHBondContact O-N 2.93Å | ||
| 860 | E | 39.9 | Very low | 60.3 | Low | 166 Ų | 166 | 82.1 Ų | 82.1 | 78% | 0.776 | 41% | 0.407 | S | S | * | . | trans | -51.6 | 99 | 138.8 | -66.5 | -175.8 | -178.5 | 0 | 0 | 104.4 | Q858 F862 | Q858-E860 VanDerWaalsContact C-N 3.28Å; Q858-E860 PolarHBondContact O-N 3.13Å; E860-F862 PolarHBondContact O-N 3.37Å | ||
| 861 | A | 37.8 | Very low | 58 | Low | 77 Ų | 77 | 82.6 Ų | 82.6 | 64% | 0.636 | 42% | 0.417 | S | S | * | . | trans | -58.1 | 103.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 103.3 | R859 K863 | R859-A861 PolarHBondContact O-N 2.93Å; A861-K863 PolarHBondContact O-N 3.35Å | ||
| 862 | F | 40.1 | Very low | 55.4 | Low | 124 Ų | 124 | 82 Ų | 82 | 54% | 0.544 | 42% | 0.418 | S | S | . | . | trans | -45.8 | 115 | -167.6 | -125.7 | -89.1 | 0 | 0 | 0 | 105.2 | E860 L864 | E860-F862 PolarHBondContact O-N 3.37Å; F862-L864 PolarHBondContact O-N 3.42Å | ||
| 863 | K | 40.9 | Very low | 52.8 | Low | 198 Ų | 198 | 88.4 Ų | 88.4 | 86% | 0.861 | 45% | 0.446 | S | S | * | . | trans | -72 | 80.9 | 179 | -84.6 | -174.7 | 177.3 | 177.4 | 0 | 104.4 | A861 P865 | A861-K863 PolarHBondContact O-N 3.35Å; K863-P865 WeakPolarHBondContact O-CD 3.49Å | ||
| 864 | L | 40.7 | Very low | 50.6 | Low | 8 Ų | 8 | 91.8 Ų | 91.8 | 4% | 0.042 | 47% | 0.466 | C | S | . | . | trans | -36.1 | 114.5 | 164.4 | -78.4 | 171.7 | 0 | 0 | 0 | 104 | K218 F345 H349 F862 S866 | K218-L864 HydrophobicContact CB-CD1 3.99Å; K218-L864 HydrophobicContact CD-CB 3.82Å; K218-L864 HydrophobicContact CD-CD1 4.38Å; K218-L864 WeakPolarHBondContact CE-O 3.44Å; K218-L864 HydrophobicContact CG-CB 4.18Å; K218-L864 HydrophobicContact CG-CD1 3.8Å; K218-L864 PolarHBondContact NZ-O 3.11Å; F345-L864 HydrophobicContact CE1-CD1 4.28Å; F345-L864 HydrophobicContact CE1-CD2 4.16Å; F345-L864 HydrophobicContact CE2-CD2 4.34Å; F345-L864 HydrophobicContact CZ-CD1 3.98Å; F345-L864 HydrophobicContact CZ-CD2 3.65Å; F345-L864 HydrophobicContact CZ-CG 4.47Å; H349-L864 HydrophobicContact CB-CD2 3.53Å; H349-L864 WeakPolarHBondContact ND1-CD2 3.5Å; F862-L864 PolarHBondContact O-N 3.42Å; L864-S866 PolarHBondContact O-N 3.38Å | ||
| 865 | P | 39.7 | Very low | 48.4 | Very low | 50 Ų | 50 | 90.8 Ų | 90.8 | 33% | 0.325 | 47% | 0.467 | S | S | . | . | trans | -43.2 | 132.5 | -168.4 | -31.4 | 29.8 | 0 | 0 | 0 | 109.6 | Q214 K863 I867 | Q214-P865 PolarHBondContact OE1-O 3.07Å; K863-P865 WeakPolarHBondContact O-CD 3.49Å; P865-I867 PolarHBondContact O-N 2.93Å; P865-I867 VanDerWaalsContact O-N 3.1Å | ||
| 866 | S | 41.6 | Very low | 46.4 | Very low | 99 Ų | 99 | 91.4 Ų | 91.4 | 69% | 0.692 | 47% | 0.466 | S | S | * | . | trans | -52.2 | 122.7 | 153.7 | 41.9 | 0 | 0 | 0 | 0 | 104.5 | L864 E868 | L864-S866 PolarHBondContact O-N 3.38Å; S866-E868 PolarHBondContact O-N 2.56Å | ||
| 867 | I | 43.7 | Very low | 44.6 | Very low | 32 Ų | 32 | 96.8 Ų | 96.8 | 16% | 0.164 | 49% | 0.486 | C | S | . | . | trans | -40.8 | 133.5 | -171.7 | -55.2 | 173.6 | 0 | 0 | 0 | 108.3 | Q214 H215 I305 P865 I869 | Q214-I867 HydrophobicContact CB-CG1 4.07Å; H215-I867 HydrophobicContact CB-CD1 3.59Å; H215-I867 HydrophobicContact CB-CG1 4.36Å; H215-I867 WeakPolarHBondContact ND1-CD1 3.41Å; I305-I867 HydrophobicContact CD1-CD1 3.62Å; I305-I867 HydrophobicContact CD1-CG2 4.02Å; P865-I867 PolarHBondContact O-N 2.93Å; P865-I867 VanDerWaalsContact O-N 3.1Å; I867-I869 HydrophobicContact CB-CD1 3.75Å; I867-I869 HydrophobicContact CB-CG1 3.7Å; I867-I869 HydrophobicContact CD1-CD1 4.28Å; I867-I869 HydrophobicContact CG2-CD1 3.99Å; I867-I869 HydrophobicContact CG2-CG1 3.54Å; I867-I869 PolarHBondContact O-N 3.05Å | ||
| 868 | E | 42.9 | Very low | 43.5 | Very low | 87 Ų | 87 | 102.1 Ų | 102.1 | 41% | 0.407 | 50% | 0.504 | S | S | . | . | trans | -65.9 | 65.9 | 178.1 | -68.2 | 177.5 | 175.4 | 0 | 0 | 110.7 | S866 | S866-E868 PolarHBondContact O-N 2.56Š| ||
| 869 | I | 45.7 | Very low | 43.2 | Very low | 33 Ų | 33 | 98.8 Ų | 98.8 | 17% | 0.169 | 49% | 0.491 | C | S | . | . | trans | -95.5 | 115.6 | 177.4 | -53 | 166.8 | 0 | 0 | 0 | 105 | P302 I305 I867 P871 | P302-I869 HydrophobicContact CB-CD1 3.9Å; P302-I869 HydrophobicContact CB-CG2 3.73Å; P302-I869 VanDerWaalsContact CD-CD1 3.42Å; P302-I869 HydrophobicContact CG-CB 4.25Å; P302-I869 HydrophobicContact CG-CD1 3.4Å; P302-I869 HydrophobicContact CG-CG1 4.4Å; P302-I869 HydrophobicContact CG-CG2 3.91Å; I305-I869 HydrophobicContact CD1-CD1 3.3Å; I305-I869 HydrophobicContact CD1-CG1 3.76Å; I305-I869 HydrophobicContact CG1-CD1 3.93Å; I305-I869 HydrophobicContact CG1-CG1 4.34Å; I867-I869 HydrophobicContact CB-CD1 3.75Å; I867-I869 HydrophobicContact CB-CG1 3.7Å; I867-I869 HydrophobicContact CD1-CD1 4.28Å; I867-I869 HydrophobicContact CG2-CD1 3.99Å; I867-I869 HydrophobicContact CG2-CG1 3.54Å; I867-I869 PolarHBondContact O-N 3.05Å; I869-P871 WeakPolarHBondContact O-CD 3.29Å | ||
| 870 | Y | 45.8 | Very low | 43.1 | Very low | 32 Ų | 32 | 98.2 Ų | 98.2 | 13% | 0.125 | 49% | 0.493 | C | S | . | . | trans | -44.1 | 111.2 | -169.9 | -67.3 | -105.3 | 0 | 0 | 0 | 110.1 | E16 I110 N111 L872 | E16-Y870 PolarHBondContact OE2-OH 3.1Å; I110-Y870 HydrophobicContact CB-CD2 4.15Å; I110-Y870 HydrophobicContact CB-CE2 3.71Å; I110-Y870 HydrophobicContact CG2-CD2 3.45Å; I110-Y870 VanDerWaalsContact CG2-CD2 3.45Å; I110-Y870 HydrophobicContact CG2-CE2 3.53Å; N111-Y870 HydrophobicContact CB-CD1 3.74Å; N111-Y870 HydrophobicContact CB-CE1 3.23Å; N111-Y870 HydrophobicContact CB-CE2 4.31Å; N111-Y870 VanDerWaalsContact ND2-CE1 3.3Å; N111-Y870 WeakPolarHBondContact ND2-CE1 3.34Å; N111-Y870 WeakPolarHBondContact OD1-CD1 3.13Å; Y870-L872 PolarHBondContact O-N 2.76Å | ||
| 871 | P | 39 | Very low | 44.1 | Very low | 89 Ų | 89 | 95.3 Ų | 95.3 | 58% | 0.578 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 134.9 | -179.3 | -20.7 | 30.5 | 0 | 0 | 0 | 108.9 | I869 | I869-P871 WeakPolarHBondContact O-CD 3.29Š|
| 872 | L | 36.8 | Very low | 45.5 | Very low | 83 Ų | 83 | 96.4 Ų | 96.4 | 44% | 0.435 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 156.5 | 167.9 | -69.3 | 154.7 | 0 | 0 | 0 | 109.4 | Y870 E876 Q880 | Y870-L872 PolarHBondContact O-N 2.76Å; L872-E876 HydrophobicContact CB-CB 3.59Å; L872-E876 HydrophobicContact CB-CG 4.43Å; L872-Q880 HydrophobicContact CD1-CG 4.42Å |
| 873 | K | 37.2 | Very low | 46.7 | Very low | 135 Ų | 135 | 92.8 Ų | 92.8 | 59% | 0.587 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 156.8 | -170.2 | -67.1 | 177.4 | 178.8 | 178.1 | 0 | 110.8 | N875 E876 Y877 | K873-N875 PolarHBondContact O-N 3.21Å; K873-E876 PolarHBondContact N-OE2 3.11Å; K873-E876 CarbonylContact O-C 3.37Å; K873-E876 WeakPolarHBondContact O-CA 3.32Å; K873-E876 WeakPolarHBondContact O-CB 3.48Å; K873-E876 PolarHBondContact O-N 2.61Å; K873-Y877 PolarHBondContact O-N 3.39Å |
| 874 | Q | 42.2 | Very low | 47.9 | Very low | 170 Ų | 170 | 86.8 Ų | 86.8 | 79% | 0.794 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -48.3 | -38.8 | -177.8 | -84.6 | 172.9 | -32.9 | 0 | 0 | 113.8 | E876 Y877 E878 | Q874-E876 VanDerWaalsContact C-N 3.33Å; Q874-E876 PolarHBondContact O-N 2.99Å; Q874-Y877 WeakPolarHBondContact O-CB 3.37Å; Q874-Y877 PolarHBondContact O-N 3.36Å; Q874-E878 PolarHBondContact O-N 2.96Å |
| 875 | N | 41.9 | Very low | 49.4 | Very low | 124 Ų | 124 | 91 Ų | 91 | 66% | 0.663 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -65.8 | -30.7 | 175 | -63.4 | 5.3 | 0 | 0 | 0 | 113.8 | K873 I879 | K873-N875 PolarHBondContact O-N 3.21Å; N875-I879 WeakPolarHBondContact O-CD1 3.37Å; N875-I879 WeakPolarHBondContact O-CG1 3.16Å; N875-I879 PolarHBondContact O-N 2.99Å |
| 876 | E | 43.9 | Very low | 51 | Low | 80 Ų | 80 | 92.5 Ų | 92.5 | 37% | 0.374 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -82.2 | -28.6 | 175.5 | -65.8 | 173 | 128.3 | 0 | 0 | 111.9 | L872 K873 Q874 E878 I879 Q880 | L872-E876 HydrophobicContact CB-CB 3.59Å; L872-E876 HydrophobicContact CB-CG 4.43Å; K873-E876 PolarHBondContact N-OE2 3.11Å; K873-E876 CarbonylContact O-C 3.37Å; K873-E876 WeakPolarHBondContact O-CA 3.32Å; K873-E876 WeakPolarHBondContact O-CB 3.48Å; K873-E876 PolarHBondContact O-N 2.61Å; Q874-E876 VanDerWaalsContact C-N 3.33Å; Q874-E876 PolarHBondContact O-N 2.99Å; E876-E878 VanDerWaalsContact C-N 3.33Å; E876-I879 PolarHBondContact O-N 3.23Å; E876-Q880 WeakPolarHBondContact O-CB 3.35Å; E876-Q880 WeakPolarHBondContact O-CG 3.43Å; E876-Q880 PolarHBondContact O-N 3.14Å |
| 877 | Y | 45.9 | Very low | 52.4 | Low | 129 Ų | 129 | 92.5 Ų | 92.5 | 51% | 0.506 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.8 | -39.8 | 169.5 | 179.6 | -98.8 | 0 | 0 | 0 | 111.6 | K873 Q874 Q880 Q881 | K873-Y877 PolarHBondContact O-N 3.39Å; Q874-Y877 WeakPolarHBondContact O-CB 3.37Å; Q874-Y877 PolarHBondContact O-N 3.36Å; Y877-Q880 PolarHBondContact O-N 3.14Å; Y877-Q881 HydrophobicContact CD1-CG 4.1Å; Y877-Q881 HydrophobicContact CE1-CG 3.83Å; Y877-Q881 VanDerWaalsContact CZ-NE2 3.28Å; Y877-Q881 WeakPolarHBondContact O-CB 3.42Å; Y877-Q881 WeakPolarHBondContact O-CG 3.5Å; Y877-Q881 PolarHBondContact O-N 3.42Å; Y877-Q881 PolarHBondContact OH-NE2 3.48Å |
| 878 | E | 53.9 | Low | 53.7 | Low | 137 Ų | 137 | 97 Ų | 97 | 64% | 0.64 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.1 | -42.4 | 171.9 | -67.8 | -176.7 | 167.9 | 0 | 0 | 112 | Q874 E876 Q880 Q881 E882 | Q874-E878 PolarHBondContact O-N 2.96Å; E876-E878 VanDerWaalsContact C-N 3.33Å; E878-Q880 PolarHBondContact O-N 3.32Å; E878-Q881 PolarHBondContact O-N 3.02Å; E878-E882 PolarHBondContact O-N 3.45Å |
| 879 | I | 54.9 | Low | 55.3 | Low | 117 Ų | 117 | 98.1 Ų | 98.1 | 60% | 0.6 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64 | -40.2 | 175.4 | -66.1 | 166.3 | 0 | 0 | 0 | 111 | N875 E876 A883 | N875-I879 WeakPolarHBondContact O-CD1 3.37Å; N875-I879 WeakPolarHBondContact O-CG1 3.16Å; N875-I879 PolarHBondContact O-N 2.99Å; E876-I879 PolarHBondContact O-N 3.23Å; I879-A883 VanDerWaalsContact O-CB 3.31Å; I879-A883 WeakPolarHBondContact O-CB 3.36Å; I879-A883 PolarHBondContact O-N 3.19Å |
| 880 | Q | 50.4 | Low | 56.6 | Low | 93 Ų | 93 | 103.6 Ų | 103.6 | 44% | 0.435 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.2 | -40.3 | 175.6 | -77.9 | -167.5 | -43.4 | 0 | 0 | 112.6 | L872 E876 Y877 E878 A883 L884 | L872-Q880 HydrophobicContact CD1-CG 4.42Å; E876-Q880 WeakPolarHBondContact O-CB 3.35Å; E876-Q880 WeakPolarHBondContact O-CG 3.43Å; E876-Q880 PolarHBondContact O-N 3.14Å; Y877-Q880 PolarHBondContact O-N 3.14Å; E878-Q880 PolarHBondContact O-N 3.32Å; Q880-A883 PolarHBondContact O-N 3.45Å; Q880-L884 VanDerWaalsContact O-CB 3.31Å; Q880-L884 WeakPolarHBondContact O-CB 3.37Å; Q880-L884 PolarHBondContact O-N 3.35Å |
| 881 | Q | 61.8 | Low | 57.7 | Low | 104 Ų | 104 | 107.4 Ų | 107.4 | 49% | 0.486 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.1 | -47.4 | 174.5 | -77.8 | -101 | -21.9 | 0 | 0 | 111 | Y877 E878 L884 K885 | Y877-Q881 HydrophobicContact CD1-CG 4.1Å; Y877-Q881 HydrophobicContact CE1-CG 3.83Å; Y877-Q881 VanDerWaalsContact CZ-NE2 3.28Å; Y877-Q881 WeakPolarHBondContact O-CB 3.42Å; Y877-Q881 WeakPolarHBondContact O-CG 3.5Å; Y877-Q881 PolarHBondContact O-N 3.42Å; Y877-Q881 PolarHBondContact OH-NE2 3.48Å; E878-Q881 PolarHBondContact O-N 3.02Å; Q881-L884 PolarHBondContact O-N 2.84Å; Q881-K885 WeakPolarHBondContact O-CB 3.36Å; Q881-K885 PolarHBondContact O-N 2.9Å |
| 882 | E | 67.2 | Low | 59.5 | Low | 100 Ų | 100 | 108 Ų | 108 | 47% | 0.467 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.1 | -37.6 | 178.1 | -164.5 | 62.3 | -162.2 | 0 | 0 | 111.5 | E878 K885 V886 | E878-E882 PolarHBondContact O-N 3.45Å; E882-K885 WeakPolarHBondContact O-CB 3.4Å; E882-K885 PolarHBondContact O-N 3.37Å; E882-K885 IonicContact OE1-NZ 2.92Å; E882-K885 PolarHBondContact OE1-NZ 3.05Å; E882-K885 IonicContact OE2-NZ 2.72Å; E882-K885 PolarHBondContact OE2-NZ 3.33Å; E882-V886 WeakPolarHBondContact O-CG2 3.43Å; E882-V886 PolarHBondContact O-N 2.98Å |
| 883 | A | 64 | Low | 61.4 | Low | 49 Ų | 49 | 109.4 Ų | 109.4 | 41% | 0.405 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | I879 Q880 K885 V886 L887 | I879-A883 VanDerWaalsContact O-CB 3.31Å; I879-A883 WeakPolarHBondContact O-CB 3.36Å; I879-A883 PolarHBondContact O-N 3.19Å; Q880-A883 PolarHBondContact O-N 3.45Å; A883-K885 VanDerWaalsContact C-N 3.29Å; A883-K885 PolarHBondContact O-N 3.01Å; A883-V886 PolarHBondContact O-N 3.43Å; A883-L887 WeakPolarHBondContact O-CB 3.47Å; A883-L887 WeakPolarHBondContact O-CG 3.39Å; A883-L887 PolarHBondContact O-N 3.33Å |
| 884 | L | 67.4 | Low | 63.2 | Low | 71 Ų | 71 | 109 Ų | 109 | 37% | 0.372 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.4 | -36 | 173.7 | -94.1 | 154 | 0 | 0 | 0 | 112.1 | Q880 Q881 K888 | Q880-L884 VanDerWaalsContact O-CB 3.31Å; Q880-L884 WeakPolarHBondContact O-CB 3.37Å; Q880-L884 PolarHBondContact O-N 3.35Å; Q881-L884 PolarHBondContact O-N 2.84Å; L884-K888 WeakPolarHBondContact O-CB 3.48Å; L884-K888 WeakPolarHBondContact O-CG 3.41Å; L884-K888 PolarHBondContact O-N 2.96Å |
| 885 | K | 72.3 | Confident | 64.9 | Low | 97 Ų | 97 | 105.6 Ų | 105.6 | 42% | 0.422 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.7 | -46.8 | 175.5 | 179.5 | 172.6 | 150.2 | -121 | 0 | 111.4 | Q881 E882 A883 L887 K888 E889 | Q881-K885 WeakPolarHBondContact O-CB 3.36Å; Q881-K885 PolarHBondContact O-N 2.9Å; E882-K885 WeakPolarHBondContact O-CB 3.4Å; E882-K885 PolarHBondContact O-N 3.37Å; E882-K885 IonicContact OE1-NZ 2.92Å; E882-K885 PolarHBondContact OE1-NZ 3.05Å; E882-K885 IonicContact OE2-NZ 2.72Å; E882-K885 PolarHBondContact OE2-NZ 3.33Å; A883-K885 VanDerWaalsContact C-N 3.29Å; A883-K885 PolarHBondContact O-N 3.01Å; K885-L887 VanDerWaalsContact C-N 3.34Å; K885-L887 PolarHBondContact O-N 3.41Å; K885-K888 PolarHBondContact O-N 3.41Å; K885-E889 WeakPolarHBondContact O-CG 3.47Å; K885-E889 PolarHBondContact O-N 3.49Å |
| 886 | V | 73.1 | Confident | 66.6 | Low | 81 Ų | 81 | 105.3 Ų | 105.3 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.6 | -39.9 | 174.5 | 171.4 | 0 | 0 | 0 | 0 | 111.8 | E882 A883 E889 F890 | E882-V886 WeakPolarHBondContact O-CG2 3.43Å; E882-V886 PolarHBondContact O-N 2.98Å; A883-V886 PolarHBondContact O-N 3.43Å; V886-E889 PolarHBondContact O-N 3.47Å; V886-F890 WeakPolarHBondContact O-CB 3.37Å; V886-F890 PolarHBondContact O-N 2.9Å |
| 887 | L | 69.9 | Low | 68.3 | Low | 100 Ų | 100 | 105.9 Ų | 105.9 | 52% | 0.524 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.1 | -47.9 | 174.3 | -80.4 | 165.5 | 0 | 0 | 0 | 111.9 | A883 K885 E889 F890 E891 | A883-L887 WeakPolarHBondContact O-CB 3.47Å; A883-L887 WeakPolarHBondContact O-CG 3.39Å; A883-L887 PolarHBondContact O-N 3.33Å; K885-L887 VanDerWaalsContact C-N 3.34Å; K885-L887 PolarHBondContact O-N 3.41Å; L887-E889 VanDerWaalsContact C-N 3.32Å; L887-E889 PolarHBondContact O-N 2.98Å; L887-F890 WeakPolarHBondContact O-CB 3.4Å; L887-F890 PolarHBondContact O-N 3.41Å; L887-F890 VanDerWaalsContact O-N 3.15Å; L887-E891 WeakPolarHBondContact O-CG 3.43Å; L887-E891 PolarHBondContact O-N 3.42Å |
| 888 | K | 71.2 | Confident | 69.6 | Low | 126 Ų | 126 | 103 Ų | 103 | 55% | 0.548 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -37.8 | 176.6 | -76.5 | 173.6 | -178.9 | 175 | 0 | 113 | L884 K885 L892 | L884-K888 WeakPolarHBondContact O-CB 3.48Å; L884-K888 WeakPolarHBondContact O-CG 3.41Å; L884-K888 PolarHBondContact O-N 2.96Å; K885-K888 PolarHBondContact O-N 3.41Å; K888-L892 WeakPolarHBondContact O-CB 3.48Å; K888-L892 WeakPolarHBondContact O-CG 3.42Å; K888-L892 PolarHBondContact O-N 3.43Å |
| 889 | E | 76 | Confident | 70.8 | Confident | 110 Ų | 110 | 102.9 Ų | 102.9 | 51% | 0.514 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 174 | -74 | 174.9 | -169.5 | 0 | 0 | 111.2 | K885 V886 L887 L892 E893 | K885-E889 WeakPolarHBondContact O-CG 3.47Å; K885-E889 PolarHBondContact O-N 3.49Å; V886-E889 PolarHBondContact O-N 3.47Å; L887-E889 VanDerWaalsContact C-N 3.32Å; L887-E889 PolarHBondContact O-N 2.98Å; E889-L892 PolarHBondContact O-N 3.48Å; E889-E893 PolarHBondContact O-N 3.41Å |
| 890 | F | 74.6 | Confident | 72 | Confident | 148 Ų | 148 | 103 Ų | 103 | 65% | 0.649 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.9 | -41 | 176 | -174.5 | -98.5 | 0 | 0 | 0 | 113.2 | V886 L887 E893 K894 | V886-F890 WeakPolarHBondContact O-CB 3.37Å; V886-F890 PolarHBondContact O-N 2.9Å; L887-F890 WeakPolarHBondContact O-CB 3.4Å; L887-F890 PolarHBondContact O-N 3.41Å; L887-F890 VanDerWaalsContact O-N 3.15Å; F890-E893 PolarHBondContact O-N 3.47Å; F890-K894 PolarHBondContact O-N 3.27Å |
| 891 | E | 68.6 | Low | 73.3 | Confident | 112 Ų | 112 | 103.6 Ų | 103.6 | 52% | 0.523 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 174.2 | -73.1 | 177.8 | 161.5 | 0 | 0 | 112.1 | L887 E893 K894 I895 | L887-E891 WeakPolarHBondContact O-CG 3.43Å; L887-E891 PolarHBondContact O-N 3.42Å; E891-E893 VanDerWaalsContact C-N 3.31Å; E891-E893 PolarHBondContact O-N 2.97Å; E891-K894 PolarHBondContact O-N 3.27Å; E891-I895 VanDerWaalsContact O-CG1 3.3Å; E891-I895 WeakPolarHBondContact O-CG1 3.37Å; E891-I895 PolarHBondContact O-N 3.06Å |
| 892 | L | 76.2 | Confident | 74.1 | Confident | 103 Ų | 103 | 101.5 Ų | 101.5 | 54% | 0.539 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.3 | -40.3 | 174.3 | -84.5 | 163.3 | 0 | 0 | 0 | 111.9 | K888 E889 K896 | K888-L892 WeakPolarHBondContact O-CB 3.48Å; K888-L892 WeakPolarHBondContact O-CG 3.42Å; K888-L892 PolarHBondContact O-N 3.43Å; E889-L892 PolarHBondContact O-N 3.48Å; L892-K896 WeakPolarHBondContact O-CG 3.36Å; L892-K896 PolarHBondContact O-N 3.41Å; L892-K896 VanDerWaalsContact O-N 3.13Å |
| 893 | E | 77.8 | Confident | 74.6 | Confident | 112 Ų | 112 | 101 Ų | 101 | 52% | 0.523 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 176.4 | -153.8 | 74.9 | 166.8 | 0 | 0 | 111.5 | E889 F890 E891 K896 L897 | E889-E893 PolarHBondContact O-N 3.41Å; F890-E893 PolarHBondContact O-N 3.47Å; E891-E893 VanDerWaalsContact C-N 3.31Å; E891-E893 PolarHBondContact O-N 2.97Å; E893-K896 PolarHBondContact O-N 3.02Å; E893-K896 IonicContact OE2-NZ 2.86Å; E893-K896 PolarHBondContact OE2-NZ 3.24Å; E893-L897 PolarHBondContact O-N 3.04Å; E893-L897 VanDerWaalsContact O-N 3.07Å |
| 894 | K | 74.4 | Confident | 75.4 | Confident | 125 Ų | 125 | 105 Ų | 105 | 54% | 0.543 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 176 | -170.7 | -177.8 | 175.4 | -169.8 | 0 | 112.1 | F890 E891 K896 L897 D898 | F890-K894 PolarHBondContact O-N 3.27Å; E891-K894 PolarHBondContact O-N 3.27Å; K894-K896 VanDerWaalsContact C-N 3.3Å; K894-K896 PolarHBondContact O-N 3.4Å; K894-L897 PolarHBondContact O-N 2.79Å; K894-L897 VanDerWaalsContact O-N 3.15Å; K894-D898 PolarHBondContact O-N 2.96Å |
| 895 | I | 77.3 | Confident | 75.9 | Confident | 100 Ų | 100 | 107.3 Ų | 107.3 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.2 | -36.7 | 177.2 | -69.8 | 165.6 | 0 | 0 | 0 | 111.6 | E891 K899 | E891-I895 VanDerWaalsContact O-CG1 3.3Å; E891-I895 WeakPolarHBondContact O-CG1 3.37Å; E891-I895 PolarHBondContact O-N 3.06Å; I895-K899 WeakPolarHBondContact O-CB 3.43Å; I895-K899 WeakPolarHBondContact O-CG 3.2Å; I895-K899 PolarHBondContact O-N 3.38Å; I895-K899 VanDerWaalsContact O-N 3.07Å |
| 896 | K | 78.9 | Confident | 76 | Confident | 117 Ų | 117 | 106.4 Ų | 106.4 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.2 | -48.2 | 172.6 | -68.5 | 169.3 | -160.4 | 160.4 | 0 | 111.3 | L892 E893 K894 D898 K899 E900 | L892-K896 WeakPolarHBondContact O-CG 3.36Å; L892-K896 PolarHBondContact O-N 3.41Å; L892-K896 VanDerWaalsContact O-N 3.13Å; E893-K896 PolarHBondContact O-N 3.02Å; E893-K896 IonicContact OE2-NZ 2.86Å; E893-K896 PolarHBondContact OE2-NZ 3.24Å; K894-K896 VanDerWaalsContact C-N 3.3Å; K894-K896 PolarHBondContact O-N 3.4Å; K896-D898 VanDerWaalsContact C-N 3.33Å; K896-D898 PolarHBondContact O-N 3.32Å; K896-K899 PolarHBondContact O-N 2.8Å; K896-E900 PolarHBondContact O-N 3.27Å |
| 897 | L | 78.8 | Confident | 76.3 | Confident | 93 Ų | 93 | 107.8 Ų | 107.8 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | -178.1 | -169.1 | 77.4 | 0 | 0 | 0 | 111.9 | E893 K894 E900 K901 | E893-L897 PolarHBondContact O-N 3.04Å; E893-L897 VanDerWaalsContact O-N 3.07Å; K894-L897 PolarHBondContact O-N 2.79Å; K894-L897 VanDerWaalsContact O-N 3.15Å; L897-E900 PolarHBondContact O-N 3.35Å; L897-K901 WeakPolarHBondContact O-CG 3.43Å; L897-K901 PolarHBondContact O-N 3.47Å; L897-K901 VanDerWaalsContact O-N 3.13Å |
| 898 | D | 73.7 | Confident | 76.7 | Confident | 67 Ų | 67 | 109.1 Ų | 109.1 | 36% | 0.358 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -73.1 | -32.3 | 179.3 | -67 | -26.3 | 0 | 0 | 0 | 111.7 | K894 K896 K901 L902 | K894-D898 PolarHBondContact O-N 2.96Å; K896-D898 VanDerWaalsContact C-N 3.33Å; K896-D898 PolarHBondContact O-N 3.32Å; D898-K901 PolarHBondContact O-N 2.97Å; D898-K901 IonicContact OD1-NZ 3.53Å; D898-K901 PolarHBondContact OD1-NZ 2.9Å; D898-L902 WeakPolarHBondContact O-CB 3.49Å; D898-L902 PolarHBondContact O-N 2.95Å |
| 899 | K | 79.2 | Confident | 76.8 | Confident | 135 Ų | 135 | 107.9 Ų | 107.9 | 59% | 0.587 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.8 | -45.2 | 166.4 | -82.5 | -174.6 | 174.5 | -175.5 | 0 | 113.1 | I895 K896 K901 L902 D903 | I895-K899 WeakPolarHBondContact O-CB 3.43Å; I895-K899 WeakPolarHBondContact O-CG 3.2Å; I895-K899 PolarHBondContact O-N 3.38Å; I895-K899 VanDerWaalsContact O-N 3.07Å; K896-K899 PolarHBondContact O-N 2.8Å; K899-K901 VanDerWaalsContact C-N 3.26Å; K899-K901 PolarHBondContact O-N 2.97Å; K899-L902 PolarHBondContact O-N 3.34Å; K899-D903 WeakPolarHBondContact O-CB 3.46Å; K899-D903 PolarHBondContact O-N 3.03Å |
| 900 | E | 79.4 | Confident | 76.9 | Confident | 120 Ų | 120 | 107 Ų | 107 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.8 | -31.6 | 177.7 | -75.3 | -169.8 | 175.1 | 0 | 0 | 113 | K896 L897 K904 | K896-E900 PolarHBondContact O-N 3.27Å; L897-E900 PolarHBondContact O-N 3.35Å; E900-K904 WeakPolarHBondContact O-CG 3.43Å; E900-K904 PolarHBondContact O-N 3.05Å |
| 901 | K | 78.6 | Confident | 77.3 | Confident | 105 Ų | 105 | 102.9 Ų | 102.9 | 46% | 0.457 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.2 | -46.8 | 172.1 | -68.5 | 171.5 | -166 | 157.3 | 0 | 111.3 | L897 D898 K899 D903 K904 Q905 | L897-K901 WeakPolarHBondContact O-CG 3.43Å; L897-K901 PolarHBondContact O-N 3.47Å; L897-K901 VanDerWaalsContact O-N 3.13Å; D898-K901 PolarHBondContact O-N 2.97Å; D898-K901 IonicContact OD1-NZ 3.53Å; D898-K901 PolarHBondContact OD1-NZ 2.9Å; K899-K901 VanDerWaalsContact C-N 3.26Å; K899-K901 PolarHBondContact O-N 2.97Å; K901-D903 VanDerWaalsContact C-N 3.34Å; K901-D903 PolarHBondContact O-N 3.44Å; K901-K904 WeakPolarHBondContact O-CB 3.31Å; K901-K904 PolarHBondContact O-N 2.98Å; K901-K904 VanDerWaalsContact O-N 3.15Å; K901-Q905 PolarHBondContact O-N 3.09Å |
| 902 | L | 77.9 | Confident | 77.8 | Confident | 61 Ų | 61 | 101.9 Ų | 101.9 | 32% | 0.319 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 180 | -170.5 | 68 | 0 | 0 | 0 | 111.6 | D898 K899 K904 Q905 K906 | D898-L902 WeakPolarHBondContact O-CB 3.49Å; D898-L902 PolarHBondContact O-N 2.95Å; K899-L902 PolarHBondContact O-N 3.34Å; L902-K904 VanDerWaalsContact C-N 3.31Å; L902-K904 PolarHBondContact O-N 3.29Å; L902-Q905 PolarHBondContact O-N 3.12Å; L902-K906 HydrophobicContact CG-CD 4.41Å; L902-K906 WeakPolarHBondContact O-CB 3.45Å; L902-K906 WeakPolarHBondContact O-CG 3.26Å; L902-K906 PolarHBondContact O-N 3.12Å |
| 903 | D | 78.1 | Confident | 77.8 | Confident | 90 Ų | 90 | 101.3 Ų | 101.3 | 48% | 0.481 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.2 | -33.3 | 175.8 | -75.5 | -18.6 | 0 | 0 | 0 | 112 | K899 K901 N907 | K899-D903 WeakPolarHBondContact O-CB 3.46Å; K899-D903 PolarHBondContact O-N 3.03Å; K901-D903 VanDerWaalsContact C-N 3.34Å; K901-D903 PolarHBondContact O-N 3.44Å; D903-N907 PolarHBondContact O-N 3.43Å; D903-N907 VanDerWaalsContact O-N 3.17Å; D903-N907 PolarHBondContact O-ND2 3.48Å |
| 904 | K | 80.8 | Confident | 77.8 | Confident | 132 Ų | 132 | 101.5 Ų | 101.5 | 57% | 0.574 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.6 | -48.6 | 171.1 | -77 | 171.5 | -178.3 | 167 | 0 | 111.7 | E900 K901 L902 K906 N907 E908 | E900-K904 WeakPolarHBondContact O-CG 3.43Å; E900-K904 PolarHBondContact O-N 3.05Å; K901-K904 WeakPolarHBondContact O-CB 3.31Å; K901-K904 PolarHBondContact O-N 2.98Å; K901-K904 VanDerWaalsContact O-N 3.15Å; L902-K904 VanDerWaalsContact C-N 3.31Å; L902-K904 PolarHBondContact O-N 3.29Å; K904-K906 VanDerWaalsContact C-N 3.35Å; K904-K906 PolarHBondContact O-N 2.98Å; K904-N907 PolarHBondContact O-N 2.97Å; K904-N907 VanDerWaalsContact O-N 3.12Å; K904-E908 PolarHBondContact O-N 3.24Å |
| 905 | Q | 76.3 | Confident | 78.2 | Confident | 120 Ų | 120 | 101.6 Ų | 101.6 | 56% | 0.561 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.5 | -44.8 | 177.9 | -73.1 | 174.5 | -32.2 | 0 | 0 | 111.7 | K901 L902 N907 E908 E909 | K901-Q905 PolarHBondContact O-N 3.09Å; L902-Q905 PolarHBondContact O-N 3.12Å; Q905-N907 VanDerWaalsContact C-N 3.32Å; Q905-N907 PolarHBondContact O-N 3.41Å; Q905-E908 PolarHBondContact O-N 3.11Å; Q905-E909 WeakPolarHBondContact O-CB 3.49Å; Q905-E909 PolarHBondContact O-N 3.37Å |
| 906 | K | 74.7 | Confident | 78.2 | Confident | 78 Ų | 78 | 104 Ų | 104 | 34% | 0.339 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.5 | -41.6 | 173.7 | -79.8 | 172.8 | 174.6 | 159.1 | 0 | 113.3 | E496 L902 K904 L910 | E496-K906 IonicContact OE1-NZ 2.69Å; E496-K906 PolarHBondContact OE1-NZ 3.4Å; E496-K906 WeakPolarHBondContact OE2-CE 3.44Å; E496-K906 IonicContact OE2-NZ 2.67Å; E496-K906 PolarHBondContact OE2-NZ 2.98Å; L902-K906 HydrophobicContact CG-CD 4.41Å; L902-K906 WeakPolarHBondContact O-CB 3.45Å; L902-K906 WeakPolarHBondContact O-CG 3.26Å; L902-K906 PolarHBondContact O-N 3.12Å; K904-K906 VanDerWaalsContact C-N 3.35Å; K904-K906 PolarHBondContact O-N 2.98Å; K906-L910 WeakPolarHBondContact O-CB 3.4Å; K906-L910 PolarHBondContact O-N 3.3Å |
| 907 | N | 79.2 | Confident | 77.9 | Confident | 109 Ų | 109 | 104.1 Ų | 104.1 | 58% | 0.583 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -69.6 | -35.8 | 178.7 | -78.7 | -56.4 | 0 | 0 | 0 | 112.1 | D903 K904 Q905 A911 | D903-N907 PolarHBondContact O-N 3.43Å; D903-N907 VanDerWaalsContact O-N 3.17Å; D903-N907 PolarHBondContact O-ND2 3.48Å; K904-N907 PolarHBondContact O-N 2.97Å; K904-N907 VanDerWaalsContact O-N 3.12Å; Q905-N907 VanDerWaalsContact C-N 3.32Å; Q905-N907 PolarHBondContact O-N 3.41Å; N907-A911 WeakPolarHBondContact O-CB 3.3Å; N907-A911 PolarHBondContact O-N 2.85Å; N907-A911 VanDerWaalsContact O-N 3.14Å |
| 908 | E | 78.2 | Confident | 78 | Confident | 128 Ų | 128 | 104.3 Ų | 104.3 | 60% | 0.598 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.4 | -43.6 | 174.7 | -70.7 | 173.5 | -177.6 | 0 | 0 | 111.8 | K904 Q905 A911 L912 | K904-E908 PolarHBondContact O-N 3.24Å; Q905-E908 PolarHBondContact O-N 3.11Å; E908-A911 WeakPolarHBondContact O-CB 3.22Å; E908-A911 PolarHBondContact O-N 3.47Å; E908-L912 PolarHBondContact O-N 2.9Å |
| 909 | E | 75 | Confident | 78.4 | Confident | 101 Ų | 101 | 105 Ų | 105 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 175.9 | -167.4 | -177.2 | -170.5 | 0 | 0 | 111.9 | Q905 A911 L912 L913 | Q905-E909 WeakPolarHBondContact O-CB 3.49Å; Q905-E909 PolarHBondContact O-N 3.37Å; E909-A911 VanDerWaalsContact C-N 3.27Å; E909-A911 PolarHBondContact O-N 3.46Å; E909-L912 WeakPolarHBondContact O-CB 3.47Å; E909-L912 PolarHBondContact O-N 3.41Å; E909-L913 HydrophobicContact CG-CD1 4.38Å; E909-L913 WeakPolarHBondContact O-CG 3.47Å; E909-L913 PolarHBondContact O-N 2.67Å |
| 910 | L | 78 | Confident | 78 | Confident | 92 Ų | 92 | 106 Ų | 106 | 48% | 0.482 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.1 | -34.4 | 174.1 | -165.4 | 88.2 | 0 | 0 | 0 | 112 | K906 K914 | K906-L910 WeakPolarHBondContact O-CB 3.4Å; K906-L910 PolarHBondContact O-N 3.3Å; L910-K914 WeakPolarHBondContact O-CG 3.43Å; L910-K914 PolarHBondContact O-N 2.86Å; L910-K914 VanDerWaalsContact O-N 3.13Å |
| 911 | A | 82.5 | Confident | 77.9 | Confident | 61 Ų | 61 | 104.1 Ų | 104.1 | 50% | 0.504 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.4 | -39.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | N907 E908 E909 K915 | N907-A911 WeakPolarHBondContact O-CB 3.3Å; N907-A911 PolarHBondContact O-N 2.85Å; N907-A911 VanDerWaalsContact O-N 3.14Å; E908-A911 WeakPolarHBondContact O-CB 3.22Å; E908-A911 PolarHBondContact O-N 3.47Å; E909-A911 VanDerWaalsContact C-N 3.27Å; E909-A911 PolarHBondContact O-N 3.46Å; A911-K915 PolarHBondContact O-N 3.14Å; A911-K915 VanDerWaalsContact O-N 3.15Å |
| 912 | L | 79.4 | Confident | 78 | Confident | 90 Ų | 90 | 104.4 Ų | 104.4 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.8 | -46.7 | 172.7 | -83.7 | 157.1 | 0 | 0 | 0 | 112.1 | E908 E909 K914 K915 Y916 | E908-L912 PolarHBondContact O-N 2.9Å; E909-L912 WeakPolarHBondContact O-CB 3.47Å; E909-L912 PolarHBondContact O-N 3.41Å; L912-K914 PolarHBondContact O-N 3.47Å; L912-K915 WeakPolarHBondContact O-CA 3.43Å; L912-K915 WeakPolarHBondContact O-CB 3.47Å; L912-K915 PolarHBondContact O-N 3.37Å; L912-Y916 HydrophobicContact CB-CE2 4.49Å; L912-Y916 HydrophobicContact CD2-CE2 4.45Å; L912-Y916 WeakPolarHBondContact O-CD2 3.47Å; L912-Y916 PolarHBondContact O-N 3.18Å |
| 913 | L | 75.2 | Confident | 78.2 | Confident | 91 Ų | 91 | 108 Ų | 108 | 48% | 0.476 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.6 | -44.7 | 176.8 | -78.4 | 167.2 | 0 | 0 | 0 | 112.1 | E909 K915 Y916 E917 | E909-L913 HydrophobicContact CG-CD1 4.38Å; E909-L913 WeakPolarHBondContact O-CG 3.47Å; E909-L913 PolarHBondContact O-N 2.67Å; L913-K915 VanDerWaalsContact C-N 3.26Å; L913-K915 PolarHBondContact O-N 2.7Å; L913-Y916 PolarHBondContact O-N 3.45Å; L913-E917 WeakPolarHBondContact O-CB 3.36Å; L913-E917 PolarHBondContact O-N 2.89Å |
| 914 | K | 78 | Confident | 77.9 | Confident | 116 Ų | 116 | 107 Ų | 107 | 50% | 0.504 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -31.8 | 173.9 | -77.5 | 176.6 | 178 | 175.7 | 0 | 113.1 | L910 L912 N918 | L910-K914 WeakPolarHBondContact O-CG 3.43Å; L910-K914 PolarHBondContact O-N 2.86Å; L910-K914 VanDerWaalsContact O-N 3.13Å; L912-K914 PolarHBondContact O-N 3.47Å; K914-N918 PolarHBondContact O-N 3.37Å; K914-N918 PolarHBondContact O-ND2 3.38Å |
| 915 | K | 82.6 | Confident | 77.8 | Confident | 127 Ų | 127 | 104.1 Ų | 104.1 | 55% | 0.552 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.6 | -49.5 | 174 | -171.1 | -169.1 | 169.4 | -164.5 | 0 | 110.4 | A911 L912 L913 E917 N918 D919 | A911-K915 PolarHBondContact O-N 3.14Å; A911-K915 VanDerWaalsContact O-N 3.15Å; L912-K915 WeakPolarHBondContact O-CA 3.43Å; L912-K915 WeakPolarHBondContact O-CB 3.47Å; L912-K915 PolarHBondContact O-N 3.37Å; L913-K915 VanDerWaalsContact C-N 3.26Å; L913-K915 PolarHBondContact O-N 2.7Å; K915-E917 VanDerWaalsContact C-N 3.32Å; K915-E917 PolarHBondContact O-N 3.42Å; K915-N918 PolarHBondContact O-N 2.84Å; K915-N918 VanDerWaalsContact O-N 3.16Å; K915-D919 PolarHBondContact O-N 3.49Å |
| 916 | Y | 77 | Confident | 78.1 | Confident | 151 Ų | 151 | 103.2 Ų | 103.2 | 59% | 0.592 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.8 | -38.3 | 177.1 | -69.9 | -58 | 0 | 0 | 0 | 113.1 | L912 L913 D919 W920 | L912-Y916 HydrophobicContact CB-CE2 4.49Å; L912-Y916 HydrophobicContact CD2-CE2 4.45Å; L912-Y916 WeakPolarHBondContact O-CD2 3.47Å; L912-Y916 PolarHBondContact O-N 3.18Å; L913-Y916 PolarHBondContact O-N 3.45Å; Y916-D919 PolarHBondContact O-N 2.81Å; Y916-W920 VanDerWaalsContact O-CB 3.31Å; Y916-W920 WeakPolarHBondContact O-CB 3.27Å; Y916-W920 PolarHBondContact O-N 3.03Å |
| 917 | E | 73.6 | Confident | 78 | Confident | 120 Ų | 120 | 102.1 Ų | 102.1 | 56% | 0.561 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.9 | -43.7 | 174.3 | -174.3 | -180 | -168.6 | 0 | 0 | 111.8 | L913 K915 N921 | L913-E917 WeakPolarHBondContact O-CB 3.36Å; L913-E917 PolarHBondContact O-N 2.89Å; K915-E917 VanDerWaalsContact C-N 3.32Å; K915-E917 PolarHBondContact O-N 3.42Å; E917-N921 WeakPolarHBondContact O-CB 3.4Å; E917-N921 VanDerWaalsContact O-CG 3.24Å; E917-N921 PolarHBondContact O-N 3.02Å; E917-N921 PolarHBondContact O-ND2 3.08Å |
| 918 | N | 81.3 | Confident | 77.7 | Confident | 97 Ų | 97 | 102 Ų | 102 | 52% | 0.519 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 175.2 | -74.8 | -51.3 | 0 | 0 | 0 | 112.5 | K914 K915 N921 N922 | K914-N918 PolarHBondContact O-N 3.37Å; K914-N918 PolarHBondContact O-ND2 3.38Å; K915-N918 PolarHBondContact O-N 2.84Å; K915-N918 VanDerWaalsContact O-N 3.16Å; N918-N921 PolarHBondContact O-N 3.26Å; N918-N922 PolarHBondContact O-N 3.23Å; N918-N922 PolarHBondContact O-ND2 3.45Å |
| 919 | D | 81.8 | Confident | 77.9 | Confident | 81 Ų | 81 | 99.1 Ų | 99.1 | 43% | 0.433 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 178.4 | -69.5 | -24.4 | 0 | 0 | 0 | 111.2 | K915 Y916 N922 W923 | K915-D919 PolarHBondContact O-N 3.49Å; Y916-D919 PolarHBondContact O-N 2.81Å; D919-N922 PolarHBondContact O-N 3.2Å; D919-W923 PolarHBondContact O-N 3.48Å |
| 920 | W | 70.1 | Confident | 78 | Confident | 157 Ų | 157 | 99.5 Ų | 99.5 | 60% | 0.595 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.9 | -42.7 | 174.3 | -173.3 | -95 | 0 | 0 | 0 | 112.7 | Y916 N922 W923 L924 | Y916-W920 VanDerWaalsContact O-CB 3.31Å; Y916-W920 WeakPolarHBondContact O-CB 3.27Å; Y916-W920 PolarHBondContact O-N 3.03Å; W920-N922 VanDerWaalsContact C-N 3.34Å; W920-N922 PolarHBondContact O-N 2.87Å; W920-W923 HydrophobicContact CH2-CZ3 4.4Å; W920-W923 PolarHBondContact O-N 3.22Å; W920-L924 PolarHBondContact O-N 2.95Å |
| 921 | N | 77.3 | Confident | 77.8 | Confident | 80 Ų | 80 | 99.3 Ų | 99.3 | 43% | 0.428 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.9 | -37.9 | 175.8 | -76 | -35.1 | 0 | 0 | 0 | 112.2 | E917 N918 S925 | E917-N921 WeakPolarHBondContact O-CB 3.4Å; E917-N921 VanDerWaalsContact O-CG 3.24Å; E917-N921 PolarHBondContact O-N 3.02Å; E917-N921 PolarHBondContact O-ND2 3.08Å; N918-N921 PolarHBondContact O-N 3.26Å; N921-S925 WeakPolarHBondContact O-CB 3.43Å; N921-S925 PolarHBondContact O-N 2.93Å |
| 922 | N | 81.8 | Confident | 77.6 | Confident | 111 Ų | 111 | 104 Ų | 104 | 59% | 0.594 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.4 | -42.5 | 171.3 | -78.7 | -32.8 | 0 | 0 | 0 | 111.9 | N918 D919 W920 S925 L926 | N918-N922 PolarHBondContact O-N 3.23Å; N918-N922 PolarHBondContact O-ND2 3.45Å; D919-N922 PolarHBondContact O-N 3.2Å; W920-N922 VanDerWaalsContact C-N 3.34Å; W920-N922 PolarHBondContact O-N 2.87Å; N922-S925 WeakPolarHBondContact O-CB 3.34Å; N922-S925 PolarHBondContact O-N 3.32Å; N922-L926 PolarHBondContact O-N 2.88Å |
| 923 | W | 81.1 | Confident | 77.6 | Confident | 137 Ų | 137 | 105.3 Ų | 105.3 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.7 | -44.1 | 177.6 | -171.1 | 84 | 0 | 0 | 0 | 112.6 | D919 W920 S925 L926 L927 | D919-W923 PolarHBondContact O-N 3.48Å; W920-W923 HydrophobicContact CH2-CZ3 4.4Å; W920-W923 PolarHBondContact O-N 3.22Å; W923-S925 VanDerWaalsContact C-N 3.31Å; W923-S925 PolarHBondContact O-N 2.71Å; W923-L926 WeakPolarHBondContact O-CB 3.47Å; W923-L926 PolarHBondContact O-N 3.14Å; W923-L927 HydrophobicContact CD2-CD1 4.41Å; W923-L927 HydrophobicContact CE3-CD1 4.06Å; W923-L927 HydrophobicContact CH2-CD1 3.28Å; W923-L927 HydrophobicContact CZ2-CD1 3.66Å; W923-L927 HydrophobicContact CZ3-CD1 3.49Å; W923-L927 VanDerWaalsContact CZ3-CD1 3.49Å; W923-L927 WeakPolarHBondContact O-CB 3.44Å; W923-L927 PolarHBondContact O-N 3.25Å |
| 924 | L | 72.4 | Confident | 77.4 | Confident | 68 Ų | 68 | 108.3 Ų | 108.3 | 36% | 0.356 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.2 | -41.2 | 172.7 | -80.2 | 173.1 | 0 | 0 | 0 | 112.4 | W920 L927 N928 | W920-L924 PolarHBondContact O-N 2.95Å; L924-L927 PolarHBondContact O-N 2.73Å; L924-N928 WeakPolarHBondContact O-CB 3.32Å; L924-N928 PolarHBondContact O-N 3.46Å; L924-N928 PolarHBondContact O-ND2 2.93Å |
| 925 | S | 79.2 | Confident | 77.2 | Confident | 71 Ų | 71 | 105.6 Ų | 105.6 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 176 | -173.1 | 0 | 0 | 0 | 0 | 112 | N921 N922 W923 T929 | N921-S925 WeakPolarHBondContact O-CB 3.43Å; N921-S925 PolarHBondContact O-N 2.93Å; N922-S925 WeakPolarHBondContact O-CB 3.34Å; N922-S925 PolarHBondContact O-N 3.32Å; W923-S925 VanDerWaalsContact C-N 3.31Å; W923-S925 PolarHBondContact O-N 2.71Å; S925-T929 WeakPolarHBondContact O-CB 3.24Å; S925-T929 PolarHBondContact O-N 2.88Å; S925-T929 PolarHBondContact O-OG1 2.96Å |
| 926 | L | 82 | Confident | 77 | Confident | 102 Ų | 102 | 103.5 Ų | 103.5 | 53% | 0.534 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -44 | 176 | -171.3 | 70.7 | 0 | 0 | 0 | 111.7 | N922 W923 T929 Q930 | N922-L926 PolarHBondContact O-N 2.88Å; W923-L926 WeakPolarHBondContact O-CB 3.47Å; W923-L926 PolarHBondContact O-N 3.14Å; L926-T929 WeakPolarHBondContact O-CB 3.22Å; L926-T929 PolarHBondContact O-N 3.45Å; L926-Q930 PolarHBondContact O-N 3.49Å |
| 927 | L | 72.2 | Confident | 76.9 | Confident | 55 Ų | 55 | 99.2 Ų | 99.2 | 29% | 0.288 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.2 | -41.9 | -178.5 | -146.4 | 164.7 | 0 | 0 | 0 | 111.6 | W923 L924 T929 Q930 N931 | W923-L927 HydrophobicContact CD2-CD1 4.41Å; W923-L927 HydrophobicContact CE3-CD1 4.06Å; W923-L927 HydrophobicContact CH2-CD1 3.28Å; W923-L927 HydrophobicContact CZ2-CD1 3.66Å; W923-L927 HydrophobicContact CZ3-CD1 3.49Å; W923-L927 VanDerWaalsContact CZ3-CD1 3.49Å; W923-L927 WeakPolarHBondContact O-CB 3.44Å; W923-L927 PolarHBondContact O-N 3.25Å; L924-L927 PolarHBondContact O-N 2.73Å; L927-T929 VanDerWaalsContact C-N 3.29Å; L927-T929 PolarHBondContact O-N 2.94Å; L927-Q930 PolarHBondContact O-N 3.29Å; L927-N931 VanDerWaalsContact CD2-ND2 3.32Å; L927-N931 WeakPolarHBondContact CD2-ND2 3.33Å; L927-N931 WeakPolarHBondContact O-CB 3.5Å; L927-N931 PolarHBondContact O-N 3.44Å; L927-N931 PolarHBondContact O-ND2 3.34Å |
| 928 | N | 73.8 | Confident | 76.9 | Confident | 106 Ų | 106 | 99.2 Ų | 99.2 | 57% | 0.567 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61 | -38.2 | 171.5 | -77.7 | -29.2 | 0 | 0 | 0 | 112.3 | L924 N931 Y932 | L924-N928 WeakPolarHBondContact O-CB 3.32Å; L924-N928 PolarHBondContact O-N 3.46Å; L924-N928 PolarHBondContact O-ND2 2.93Å; N928-N931 PolarHBondContact O-N 2.85Å; N928-Y932 WeakPolarHBondContact O-CB 3.16Å; N928-Y932 PolarHBondContact O-N 2.86Å |
| 929 | T | 81.6 | Confident | 76.9 | Confident | 67 Ų | 67 | 96.5 Ų | 96.5 | 41% | 0.411 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 175.7 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | S925 L926 L927 Y932 Q933 | S925-T929 WeakPolarHBondContact O-CB 3.24Å; S925-T929 PolarHBondContact O-N 2.88Å; S925-T929 PolarHBondContact O-OG1 2.96Å; L926-T929 WeakPolarHBondContact O-CB 3.22Å; L926-T929 PolarHBondContact O-N 3.45Å; L927-T929 VanDerWaalsContact C-N 3.29Å; L927-T929 PolarHBondContact O-N 2.94Å; T929-Y932 PolarHBondContact O-N 3.27Å; T929-Q933 WeakPolarHBondContact O-CG 3.35Å; T929-Q933 PolarHBondContact O-N 2.88Å |
| 930 | Q | 76.9 | Confident | 76.7 | Confident | 110 Ų | 110 | 97.4 Ų | 97.4 | 51% | 0.514 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65 | -43.2 | 175.5 | -71.8 | -178.6 | -4.6 | 0 | 0 | 112.2 | L926 L927 Y932 Q933 Y934 | L926-Q930 PolarHBondContact O-N 3.49Å; L927-Q930 PolarHBondContact O-N 3.29Å; Q930-Y932 VanDerWaalsContact C-N 3.32Å; Q930-Y932 PolarHBondContact O-N 3.31Å; Q930-Q933 PolarHBondContact O-N 2.71Å; Q930-Y934 WeakPolarHBondContact O-CB 3.35Å; Q930-Y934 PolarHBondContact O-N 3.38Å |
| 931 | N | 73.4 | Confident | 77.2 | Confident | 88 Ų | 88 | 94.3 Ų | 94.3 | 47% | 0.471 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.3 | -40.8 | 175.7 | -74.6 | -22.4 | 0 | 0 | 0 | 112 | L927 N928 Y934 A935 | L927-N931 VanDerWaalsContact CD2-ND2 3.32Å; L927-N931 WeakPolarHBondContact CD2-ND2 3.33Å; L927-N931 WeakPolarHBondContact O-CB 3.5Å; L927-N931 PolarHBondContact O-N 3.44Å; L927-N931 PolarHBondContact O-ND2 3.34Å; N928-N931 PolarHBondContact O-N 2.85Å; N931-Y934 PolarHBondContact O-N 3.42Å; N931-A935 WeakPolarHBondContact O-CB 3.34Å; N931-A935 PolarHBondContact O-N 3.26Å |
| 932 | Y | 78 | Confident | 77.1 | Confident | 158 Ų | 158 | 96.8 Ų | 96.8 | 62% | 0.62 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.5 | -48.3 | 174.7 | -176.8 | -89.3 | 0 | 0 | 0 | 111.9 | N928 T929 Q930 Y934 A935 E936 | N928-Y932 WeakPolarHBondContact O-CB 3.16Å; N928-Y932 PolarHBondContact O-N 2.86Å; T929-Y932 PolarHBondContact O-N 3.27Å; Q930-Y932 VanDerWaalsContact C-N 3.32Å; Q930-Y932 PolarHBondContact O-N 3.31Å; Y932-Y934 VanDerWaalsContact C-N 3.32Å; Y932-Y934 PolarHBondContact O-N 2.94Å; Y932-A935 PolarHBondContact O-N 2.96Å; Y932-E936 WeakPolarHBondContact O-CB 3.34Å; Y932-E936 PolarHBondContact O-N 3.01Å |
| 933 | Q | 79.7 | Confident | 77.1 | Confident | 119 Ų | 119 | 98.9 Ų | 98.9 | 56% | 0.556 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.3 | -39.7 | 177.9 | -71.6 | 174 | 1 | 0 | 0 | 112.3 | T929 Q930 E936 A937 | T929-Q933 WeakPolarHBondContact O-CG 3.35Å; T929-Q933 PolarHBondContact O-N 2.88Å; Q930-Q933 PolarHBondContact O-N 2.71Å; Q933-E936 PolarHBondContact O-N 2.85Å; Q933-A937 WeakPolarHBondContact O-CB 3.17Å; Q933-A937 PolarHBondContact O-N 2.96Å |
| 934 | Y | 72.5 | Confident | 77.2 | Confident | 154 Ų | 154 | 98.6 Ų | 98.6 | 60% | 0.604 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.5 | -43.6 | 176 | -174.9 | -97.7 | 0 | 0 | 0 | 112.1 | Q930 N931 Y932 A937 H938 | Q930-Y934 WeakPolarHBondContact O-CB 3.35Å; Q930-Y934 PolarHBondContact O-N 3.38Å; N931-Y934 PolarHBondContact O-N 3.42Å; Y932-Y934 VanDerWaalsContact C-N 3.32Å; Y932-Y934 PolarHBondContact O-N 2.94Å; Y934-A937 PolarHBondContact O-N 3Å; Y934-H938 AromaticContact CD1-CD2 3.82Å; Y934-H938 AromaticContact CE1-CD2 3.38Å; Y934-H938 WeakPolarHBondContact CE1-CD2 3.35Å; Y934-H938 AromaticContact CE1-NE2 3.55Å; Y934-H938 AromaticContact CE2-CD2 3.83Å; Y934-H938 AromaticContact CE2-NE2 3.68Å; Y934-H938 AromaticContact CZ-CD2 3.4Å; Y934-H938 AromaticContact CZ-NE2 3.13Å; Y934-H938 PolarHBondContact O-CD2 3.49Å; Y934-H938 PolarHBondContact O-N 2.86Å; Y934-H938 PolarHBondContact OH-NE2 2.79Å |
| 935 | A | 73.6 | Confident | 77.5 | Confident | 58 Ų | 58 | 100.2 Ų | 100.2 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | N931 Y932 H938 S939 | N931-A935 WeakPolarHBondContact O-CB 3.34Å; N931-A935 PolarHBondContact O-N 3.26Å; Y932-A935 PolarHBondContact O-N 2.96Å; A935-H938 PolarHBondContact O-N 3.46Å; A935-S939 WeakPolarHBondContact O-CB 3.31Å; A935-S939 PolarHBondContact O-N 3.47Å |
| 936 | E | 77.4 | Confident | 77.6 | Confident | 83 Ų | 83 | 99.9 Ų | 99.9 | 39% | 0.388 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63 | -45.9 | 175.4 | -175.3 | 164.7 | -143.4 | 0 | 0 | 111.2 | Y932 Q933 H938 S939 L940 | Y932-E936 WeakPolarHBondContact O-CB 3.34Å; Y932-E936 PolarHBondContact O-N 3.01Å; Q933-E936 PolarHBondContact O-N 2.85Å; E936-H938 PolarHBondContact O-N 3.4Å; E936-S939 PolarHBondContact O-N 3.07Å; E936-S939 VanDerWaalsContact O-N 3.14Å; E936-S939 PolarHBondContact O-OG 2.96Å; E936-L940 WeakPolarHBondContact O-CD1 3.49Å; E936-L940 PolarHBondContact O-N 3.34Å |
| 937 | A | 75.1 | Confident | 77.6 | Confident | 62 Ų | 62 | 101.3 Ų | 101.3 | 51% | 0.512 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.7 | -40 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q933 Y934 S939 L940 | Q933-A937 WeakPolarHBondContact O-CB 3.17Å; Q933-A937 PolarHBondContact O-N 2.96Å; Y934-A937 PolarHBondContact O-N 3Å; A937-S939 VanDerWaalsContact C-N 3.33Å; A937-L940 WeakPolarHBondContact O-CB 3.32Å; A937-L940 PolarHBondContact O-N 3.08Å |
| 938 | H | 74.1 | Confident | 78 | Confident | 119 Ų | 119 | 104.4 Ų | 104.4 | 55% | 0.551 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.9 | -30.9 | 173.3 | -95 | -82.7 | 0 | 0 | 0 | 113.2 | Y934 A935 E936 L940 P941 | Y934-H938 AromaticContact CD1-CD2 3.82Å; Y934-H938 AromaticContact CE1-CD2 3.38Å; Y934-H938 WeakPolarHBondContact CE1-CD2 3.35Å; Y934-H938 AromaticContact CE1-NE2 3.55Å; Y934-H938 AromaticContact CE2-CD2 3.83Å; Y934-H938 AromaticContact CE2-NE2 3.68Å; Y934-H938 AromaticContact CZ-CD2 3.4Å; Y934-H938 AromaticContact CZ-NE2 3.13Å; Y934-H938 PolarHBondContact O-CD2 3.49Å; Y934-H938 PolarHBondContact O-N 2.86Å; Y934-H938 PolarHBondContact OH-NE2 2.79Å; A935-H938 PolarHBondContact O-N 3.46Å; E936-H938 PolarHBondContact O-N 3.4Å; H938-L940 VanDerWaalsContact C-N 3.32Å; H938-L940 PolarHBondContact O-N 2.89Å; H938-P941 WeakPolarHBondContact O-CD 3.45Å |
| 939 | S | 80.9 | Confident | 78.3 | Confident | 40 Ų | 40 | 104.7 Ų | 104.7 | 28% | 0.28 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -72.1 | -24.3 | 177.2 | 81.6 | 0 | 0 | 0 | 0 | 113.5 | A935 E936 A937 M942 R943 | A935-S939 WeakPolarHBondContact O-CB 3.31Å; A935-S939 PolarHBondContact O-N 3.47Å; E936-S939 PolarHBondContact O-N 3.07Å; E936-S939 VanDerWaalsContact O-N 3.14Å; E936-S939 PolarHBondContact O-OG 2.96Å; A937-S939 VanDerWaalsContact C-N 3.33Å; S939-M942 PolarHBondContact O-N 3.48Å; S939-R943 WeakPolarHBondContact O-CB 3.22Å; S939-R943 PolarHBondContact O-N 3.38Å |
| 940 | L | 77.7 | Confident | 78.3 | Confident | 101 Ų | 101 | 104.1 Ų | 104.1 | 53% | 0.529 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -53.6 | -49 | -169.6 | -121.1 | 90 | 0 | 0 | 0 | 114.1 | E936 A937 H938 M942 R943 H944 | E936-L940 WeakPolarHBondContact O-CD1 3.49Å; E936-L940 PolarHBondContact O-N 3.34Å; A937-L940 WeakPolarHBondContact O-CB 3.32Å; A937-L940 PolarHBondContact O-N 3.08Å; H938-L940 VanDerWaalsContact C-N 3.32Å; H938-L940 PolarHBondContact O-N 2.89Å; L940-M942 PolarHBondContact O-N 3.44Å; L940-R943 PolarHBondContact O-N 3.3Å; L940-H944 VanDerWaalsContact O-CB 3.3Å; L940-H944 WeakPolarHBondContact O-CB 3.35Å; L940-H944 PolarHBondContact O-N 3.1Å |
| 941 | P | 79.5 | Confident | 78.7 | Confident | 92 Ų | 92 | 102.7 Ų | 102.7 | 60% | 0.597 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.5 | -43.6 | -178.3 | -23.6 | 35 | 0 | 0 | 0 | 112.8 | H938 H944 Y945 | H938-P941 WeakPolarHBondContact O-CD 3.45Å; P941-H944 PolarHBondContact O-N 2.84Å; P941-Y945 WeakPolarHBondContact O-CB 3.25Å; P941-Y945 PolarHBondContact O-N 2.86Å |
| 942 | M | 76.7 | Confident | 79.3 | Confident | 132 Ų | 132 | 101 Ų | 101 | 65% | 0.65 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.6 | -45.4 | 176.8 | 179.9 | -177.2 | 165 | 0 | 0 | 111.1 | S939 L940 H944 Y945 L946 | S939-M942 PolarHBondContact O-N 3.48Å; L940-M942 PolarHBondContact O-N 3.44Å; M942-H944 VanDerWaalsContact C-N 3.29Å; M942-H944 PolarHBondContact O-N 3.31Å; M942-Y945 PolarHBondContact O-N 2.71Å; M942-L946 HydrophobicContact CE-CD1 3.96Å; M942-L946 HydrophobicContact CG-CD1 4.21Å; M942-L946 WeakPolarHBondContact O-CG 3.5Å; M942-L946 PolarHBondContact O-N 2.84Å |
| 943 | R | 82.1 | Confident | 79.5 | Confident | 155 Ų | 155 | 96 Ų | 96 | 59% | 0.585 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -60.2 | -40.2 | 177.1 | -132.1 | 174.5 | -175 | 179.2 | 0.9 | 111.6 | S939 L940 M947 | S939-R943 WeakPolarHBondContact O-CB 3.22Å; S939-R943 PolarHBondContact O-N 3.38Å; L940-R943 PolarHBondContact O-N 3.3Å; R943-M947 WeakPolarHBondContact O-CB 3.31Å; R943-M947 PolarHBondContact O-N 3.47Å |
| 944 | H | 81.9 | Confident | 79.8 | Confident | 131 Ų | 131 | 92.7 Ų | 92.7 | 61% | 0.606 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -70.1 | -39 | 178.3 | -153.7 | 102.8 | 0 | 0 | 0 | 112 | L940 P941 M942 K948 | L940-H944 VanDerWaalsContact O-CB 3.3Å; L940-H944 WeakPolarHBondContact O-CB 3.35Å; L940-H944 PolarHBondContact O-N 3.1Å; P941-H944 PolarHBondContact O-N 2.84Å; M942-H944 VanDerWaalsContact C-N 3.29Å; M942-H944 PolarHBondContact O-N 3.31Å; H944-K948 WeakPolarHBondContact O-CB 3.5Å; H944-K948 PolarHBondContact O-N 2.83Å |
| 945 | Y | 78.6 | Confident | 80.5 | Confident | 101 Ų | 101 | 88 Ų | 88 | 40% | 0.396 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.1 | -49.9 | 173.4 | -179.1 | -91.1 | 0 | 0 | 0 | 111.7 | P941 M942 M947 K948 Y949 I950 I985 | P941-Y945 WeakPolarHBondContact O-CB 3.25Å; P941-Y945 PolarHBondContact O-N 2.86Å; M942-Y945 PolarHBondContact O-N 2.71Å; Y945-M947 PolarHBondContact O-N 3.44Å; Y945-K948 PolarHBondContact O-N 3.1Å; Y945-Y949 AromaticContact CD2-CD2 3.51Å; Y945-Y949 HydrophobicContact CD2-CD2 3.51Å; Y945-Y949 AromaticContact CD2-CE2 3.81Å; Y945-Y949 HydrophobicContact CD2-CE2 3.81Å; Y945-Y949 AromaticContact CE2-CD2 3.67Å; Y945-Y949 HydrophobicContact CE2-CD2 3.67Å; Y945-Y949 HydrophobicContact CE2-CE2 4.09Å; Y945-Y949 HydrophobicContact CG-CD2 4.08Å; Y945-Y949 WeakPolarHBondContact O-CD2 3.34Å; Y945-Y949 PolarHBondContact O-N 3.29Å; Y945-I950 HydrophobicContact CE1-CD1 4.29Å; Y945-I950 HydrophobicContact CE1-CG1 4.47Å; Y945-I985 WeakPolarHBondContact OH-CG2 3.48Å |
| 946 | L | 81.4 | Confident | 81.1 | Confident | 65 Ų | 65 | 89.8 Ų | 89.8 | 34% | 0.34 | 45% | 0.446 | S | S | . | . | I | π-helix | trans | -58.8 | -48.5 | 176.8 | -69.1 | 175.6 | 0 | 0 | 0 | 111.6 | M942 K948 I950 M951 | M942-L946 HydrophobicContact CE-CD1 3.96Å; M942-L946 HydrophobicContact CG-CD1 4.21Å; M942-L946 WeakPolarHBondContact O-CG 3.5Å; M942-L946 PolarHBondContact O-N 2.84Å; L946-K948 VanDerWaalsContact C-N 3.35Å; L946-K948 PolarHBondContact O-N 3.48Å; L946-I950 HydrophobicContact CD2-CB 4.43Å; L946-I950 HydrophobicContact CD2-CD1 3.79Å; L946-I950 HydrophobicContact CD2-CG1 4.31Å; L946-I950 PolarHBondContact O-N 3.26Å; L946-I950 VanDerWaalsContact O-N 3.1Å; L946-M951 WeakPolarHBondContact O-CG 3.26Å; L946-M951 PolarHBondContact O-N 3.48Å |
| 947 | M | 82.5 | Confident | 81.6 | Confident | 131 Ų | 131 | 85.8 Ų | 85.8 | 65% | 0.645 | 43% | 0.428 | S | S | * | . | I | π-helix | trans | -62.9 | -36.1 | 177.8 | -87.4 | -71.8 | -171.9 | 0 | 0 | 113.8 | R943 Y945 M951 P952 | R943-M947 WeakPolarHBondContact O-CB 3.31Å; R943-M947 PolarHBondContact O-N 3.47Å; Y945-M947 PolarHBondContact O-N 3.44Å; M947-M951 HydrophobicContact SD-CB 4.44Å; M947-M951 HydrophobicContact SD-CG 4.18Å; M947-P952 WeakPolarHBondContact O-CD 3.45Å |
| 948 | K | 81.5 | Confident | 82.2 | Confident | 120 Ų | 120 | 87.5 Ų | 87.5 | 52% | 0.522 | 43% | 0.427 | S | S | . | . | I | π-helix | trans | -84.1 | -37 | -173.9 | -172.8 | 178.2 | 176.5 | -161.7 | 0 | 113.6 | H944 Y945 L946 | H944-K948 WeakPolarHBondContact O-CB 3.5Å; H944-K948 PolarHBondContact O-N 2.83Å; Y945-K948 PolarHBondContact O-N 3.1Å; L946-K948 VanDerWaalsContact C-N 3.35Å; L946-K948 PolarHBondContact O-N 3.48Å |
| 949 | Y | 80.1 | Confident | 82.9 | Confident | 113 Ų | 113 | 87 Ų | 87 | 44% | 0.443 | 43% | 0.428 | S | S | . | . | I | π-helix | trans | -114.9 | -34.7 | -170.1 | -57.1 | -65.5 | 0 | 0 | 0 | 114.1 | Y945 | Y945-Y949 AromaticContact CD2-CD2 3.51Å; Y945-Y949 HydrophobicContact CD2-CD2 3.51Å; Y945-Y949 AromaticContact CD2-CE2 3.81Å; Y945-Y949 HydrophobicContact CD2-CE2 3.81Å; Y945-Y949 AromaticContact CE2-CD2 3.67Å; Y945-Y949 HydrophobicContact CE2-CD2 3.67Å; Y945-Y949 HydrophobicContact CE2-CE2 4.09Å; Y945-Y949 HydrophobicContact CG-CD2 4.08Å; Y945-Y949 WeakPolarHBondContact O-CD2 3.34Å; Y945-Y949 PolarHBondContact O-N 3.29Å |
| 950 | I | 81.4 | Confident | 83.1 | Confident | 55 Ų | 55 | 88.7 Ų | 88.7 | 28% | 0.282 | 43% | 0.432 | S | S | . | . | I | π-helix | trans | -95.9 | -49.1 | -175.6 | -55.2 | -162.2 | 0 | 0 | 0 | 111.7 | Y945 L946 P952 E953 L954 | Y945-I950 HydrophobicContact CE1-CD1 4.29Å; Y945-I950 HydrophobicContact CE1-CG1 4.47Å; L946-I950 HydrophobicContact CD2-CB 4.43Å; L946-I950 HydrophobicContact CD2-CD1 3.79Å; L946-I950 HydrophobicContact CD2-CG1 4.31Å; L946-I950 PolarHBondContact O-N 3.26Å; L946-I950 VanDerWaalsContact O-N 3.1Å; I950-P952 VanDerWaalsContact C-CD 3.46Å; I950-E953 PolarHBondContact O-N 3.09Å; I950-L954 VanDerWaalsContact O-CB 3.29Å; I950-L954 WeakPolarHBondContact O-CB 3.47Å; I950-L954 PolarHBondContact O-N 2.87Å |
| 951 | M | 83.7 | Confident | 83.6 | Confident | 79 Ų | 79 | 84.6 Ų | 84.6 | 39% | 0.389 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -57 | -37.3 | -176.7 | -73.7 | -60.6 | -63.4 | 0 | 0 | 115.1 | L946 M947 L954 S955 | L946-M951 WeakPolarHBondContact O-CG 3.26Å; L946-M951 PolarHBondContact O-N 3.48Å; M947-M951 HydrophobicContact SD-CB 4.44Å; M947-M951 HydrophobicContact SD-CG 4.18Å; M951-L954 HydrophobicContact SD-CD2 4.27Å; M951-S955 VanDerWaalsContact O-CB 3.23Å; M951-S955 WeakPolarHBondContact O-CB 3.5Å; M951-S955 PolarHBondContact O-N 3.43Å; M951-S955 PolarHBondContact O-OG 2.68Å |
| 952 | P | 86 | Confident | 83.9 | Confident | 54 Ų | 54 | 83.6 Ų | 83.6 | 35% | 0.351 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.3 | -44.3 | 178.1 | -22.2 | 35.2 | 0 | 0 | 0 | 112.6 | M947 I950 S955 K956 | M947-P952 WeakPolarHBondContact O-CD 3.45Å; I950-P952 VanDerWaalsContact C-CD 3.46Å; P952-S955 PolarHBondContact O-N 2.95Å; P952-K956 WeakPolarHBondContact O-CG 3.29Å; P952-K956 PolarHBondContact O-N 2.96Å; P952-K956 VanDerWaalsContact O-N 3.16Å |
| 953 | E | 83.8 | Confident | 84.5 | Confident | 53 Ų | 53 | 84.8 Ų | 84.8 | 25% | 0.248 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -75.2 | -36.2 | 179.3 | -56.2 | -48.9 | 130.2 | 0 | 0 | 111.7 | I950 S955 K956 A957 L977 | I950-E953 PolarHBondContact O-N 3.09Å; E953-S955 VanDerWaalsContact C-N 3.34Å; E953-S955 PolarHBondContact O-N 2.88Å; E953-K956 PolarHBondContact O-N 3.02Å; E953-K956 IonicContact OE1-NZ 2.7Å; E953-K956 PolarHBondContact OE1-NZ 3.48Å; E953-K956 WeakPolarHBondContact OE2-CD 3.41Å; E953-K956 IonicContact OE2-NZ 3.38Å; E953-K956 PolarHBondContact OE2-NZ 2.89Å; E953-A957 WeakPolarHBondContact O-CB 3.46Å; E953-A957 PolarHBondContact O-N 2.7Å; E953-L977 HydrophobicContact CB-CD2 4.15Å |
| 954 | L | 86.1 | Confident | 84.7 | Confident | 49 Ų | 49 | 82 Ų | 82 | 26% | 0.257 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.4 | -38.4 | 171.8 | -176.4 | 67.5 | 0 | 0 | 0 | 111.8 | I950 M951 A957 L958 V973 L977 | I950-L954 VanDerWaalsContact O-CB 3.29Å; I950-L954 WeakPolarHBondContact O-CB 3.47Å; I950-L954 PolarHBondContact O-N 2.87Å; M951-L954 HydrophobicContact SD-CD2 4.27Å; L954-A957 PolarHBondContact O-N 3.13Å; L954-L958 HydrophobicContact CD1-CD1 4.39Å; L954-L958 HydrophobicContact CD1-CG 4.48Å; L954-L958 HydrophobicContact CG-CD1 4.03Å; L954-L958 WeakPolarHBondContact O-CB 3.28Å; L954-L958 VanDerWaalsContact O-CG 3.26Å; L954-L958 WeakPolarHBondContact O-CG 3.49Å; L954-L958 PolarHBondContact O-N 2.8Å; L954-V973 HydrophobicContact CD1-CG1 3.94Å; L954-L977 HydrophobicContact CD1-CD1 3.98Å |
| 955 | S | 86.6 | Confident | 84.9 | Confident | 54 Ų | 54 | 85.7 Ų | 85.7 | 38% | 0.378 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.7 | -38.5 | 176.4 | -60.4 | 0 | 0 | 0 | 0 | 112 | M951 P952 E953 L959 | M951-S955 VanDerWaalsContact O-CB 3.23Å; M951-S955 WeakPolarHBondContact O-CB 3.5Å; M951-S955 PolarHBondContact O-N 3.43Å; M951-S955 PolarHBondContact O-OG 2.68Å; P952-S955 PolarHBondContact O-N 2.95Å; E953-S955 VanDerWaalsContact C-N 3.34Å; E953-S955 PolarHBondContact O-N 2.88Å; S955-L959 WeakPolarHBondContact O-CB 3.23Å; S955-L959 WeakPolarHBondContact O-CG 3.36Å; S955-L959 PolarHBondContact O-N 3.48Å |
| 956 | K | 86.4 | Confident | 85.2 | Confident | 96 Ų | 96 | 82.6 Ų | 82.6 | 42% | 0.417 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.1 | -47.8 | 171.3 | -66.4 | 170 | -169.1 | 167.1 | 0 | 111.2 | P952 E953 L958 L959 E960 Y976 | P952-K956 WeakPolarHBondContact O-CG 3.29Å; P952-K956 PolarHBondContact O-N 2.96Å; P952-K956 VanDerWaalsContact O-N 3.16Å; E953-K956 PolarHBondContact O-N 3.02Å; E953-K956 IonicContact OE1-NZ 2.7Å; E953-K956 PolarHBondContact OE1-NZ 3.48Å; E953-K956 WeakPolarHBondContact OE2-CD 3.41Å; E953-K956 IonicContact OE2-NZ 3.38Å; E953-K956 PolarHBondContact OE2-NZ 2.89Å; K956-L958 VanDerWaalsContact C-N 3.28Å; K956-L958 PolarHBondContact O-N 3.27Å; K956-L959 WeakPolarHBondContact O-CB 3.39Å; K956-L959 PolarHBondContact O-N 2.66Å; K956-L959 VanDerWaalsContact O-N 3.13Å; K956-E960 PolarHBondContact O-N 3.16Å; K956-Y976 HydrophobicContact CB-CE1 4.18Å |
| 957 | A | 86.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 88 Ų | 88 | 0% | 0 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -55.8 | -43.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E953 L954 C961 V973 Y976 L977 | E953-A957 WeakPolarHBondContact O-CB 3.46Å; E953-A957 PolarHBondContact O-N 2.7Å; L954-A957 PolarHBondContact O-N 3.13Å; A957-C961 WeakPolarHBondContact O-CB 3.4Å; A957-C961 PolarHBondContact O-N 2.75Å; A957-V973 HydrophobicContact CB-CG1 4.03Å; A957-V973 HydrophobicContact CB-CG2 4.29Å; A957-Y976 HydrophobicContact CB-CD1 3.33Å; A957-Y976 HydrophobicContact CB-CE1 3.82Å; A957-Y976 HydrophobicContact CB-CG 3.93Å; A957-L977 HydrophobicContact CB-CD2 4.34Å; A957-L977 HydrophobicContact CB-CG 4.41Å |
| 958 | L | 87.6 | Confident | 85.7 | Confident | 97 Ų | 97 | 85.8 Ų | 85.8 | 51% | 0.508 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -70.3 | -36.7 | 177.5 | -71.1 | 168.8 | 0 | 0 | 0 | 112.9 | L954 K956 S962 V973 | L954-L958 HydrophobicContact CD1-CD1 4.39Å; L954-L958 HydrophobicContact CD1-CG 4.48Å; L954-L958 HydrophobicContact CG-CD1 4.03Å; L954-L958 WeakPolarHBondContact O-CB 3.28Å; L954-L958 VanDerWaalsContact O-CG 3.26Å; L954-L958 WeakPolarHBondContact O-CG 3.49Å; L954-L958 PolarHBondContact O-N 2.8Å; K956-L958 VanDerWaalsContact C-N 3.28Å; K956-L958 PolarHBondContact O-N 3.27Å; L958-S962 WeakPolarHBondContact O-CB 3.34Å; L958-S962 PolarHBondContact O-N 2.98Å; L958-V973 HydrophobicContact CD2-CG2 4.27Å |
| 959 | L | 89.2 | Confident | 85.9 | Confident | 108 Ų | 108 | 83.3 Ų | 83.3 | 57% | 0.565 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -62.8 | -51.1 | 172.1 | -83 | 162.4 | 0 | 0 | 0 | 111 | S955 K956 C961 S962 E963 | S955-L959 WeakPolarHBondContact O-CB 3.23Å; S955-L959 WeakPolarHBondContact O-CG 3.36Å; S955-L959 PolarHBondContact O-N 3.48Å; K956-L959 WeakPolarHBondContact O-CB 3.39Å; K956-L959 PolarHBondContact O-N 2.66Å; K956-L959 VanDerWaalsContact O-N 3.13Å; L959-C961 VanDerWaalsContact C-N 3.33Å; L959-C961 PolarHBondContact O-N 2.83Å; L959-S962 WeakPolarHBondContact O-CA 3.23Å; L959-S962 WeakPolarHBondContact O-CB 3.44Å; L959-S962 PolarHBondContact O-N 2.87Å; L959-S962 PolarHBondContact O-OG 3.32Å; L959-E963 PolarHBondContact O-N 3.48Å; L959-E963 VanDerWaalsContact O-N 3.07Å |
| 960 | E | 85.7 | Confident | 86.2 | Confident | 76 Ų | 76 | 83.4 Ų | 83.4 | 36% | 0.355 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65 | -37 | 179.7 | -130.8 | 165.8 | 127.4 | 0 | 0 | 111.7 | K956 S962 E963 I964 F972 Y976 | K956-E960 PolarHBondContact O-N 3.16Å; E960-S962 VanDerWaalsContact C-N 3.28Å; E960-S962 PolarHBondContact O-N 2.92Å; E960-E963 PolarHBondContact O-N 3.35Å; E960-I964 HydrophobicContact CG-CD1 4.17Å; E960-I964 WeakPolarHBondContact O-CB 3.46Å; E960-I964 WeakPolarHBondContact O-CG1 3.34Å; E960-I964 PolarHBondContact O-N 3.26Å; E960-F972 HydrophobicContact CB-CE1 4.36Å; E960-F972 HydrophobicContact CB-CZ 4.32Å; E960-Y976 HydrophobicContact CB-CE2 4.26Å; E960-Y976 VanDerWaalsContact CD-CE2 3.41Å; E960-Y976 HydrophobicContact CG-CE2 4.4Å; E960-Y976 WeakPolarHBondContact OE2-CE2 3.49Å; E960-Y976 VanDerWaalsContact OE2-CZ 3.24Å; E960-Y976 PolarHBondContact OE2-OH 3.32Å |
| 961 | C | 88.3 | Confident | 86.5 | Confident | 15 Ų | 15 | 86.2 Ų | 86.2 | 10% | 0.101 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -61.9 | -35.3 | 171.2 | -171.4 | 0 | 0 | 0 | 0 | 112.2 | A957 L959 R965 P966 P969 F972 V973 | A957-C961 WeakPolarHBondContact O-CB 3.4Å; A957-C961 PolarHBondContact O-N 2.75Å; L959-C961 VanDerWaalsContact C-N 3.33Å; L959-C961 PolarHBondContact O-N 2.83Å; C961-R965 WeakPolarHBondContact O-CA 3.26Å; C961-R965 PolarHBondContact O-N 2.85Å; C961-P966 WeakPolarHBondContact O-CD 3.41Å; C961-P969 WeakPolarHBondContact SG-CB 3.19Å; C961-F972 HydrophobicContact CB-CD1 3.67Å; C961-F972 HydrophobicContact CB-CE1 3.78Å; C961-V973 HydrophobicContact CB-CG2 3.99Å |
| 962 | S | 86.3 | Confident | 86.8 | Confident | 71 Ų | 71 | 84.2 Ų | 84.2 | 50% | 0.497 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -74 | -27.6 | 177.8 | 81.3 | 0 | 0 | 0 | 0 | 113.5 | L958 L959 E960 | L958-S962 WeakPolarHBondContact O-CB 3.34Å; L958-S962 PolarHBondContact O-N 2.98Å; L959-S962 WeakPolarHBondContact O-CA 3.23Å; L959-S962 WeakPolarHBondContact O-CB 3.44Å; L959-S962 PolarHBondContact O-N 2.87Å; L959-S962 PolarHBondContact O-OG 3.32Å; E960-S962 VanDerWaalsContact C-N 3.28Å; E960-S962 PolarHBondContact O-N 2.92Å |
| 963 | E | 88.1 | Confident | 86.8 | Confident | 157 Ų | 157 | 82.6 Ų | 82.6 | 73% | 0.734 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -80.1 | -47 | 175.3 | -70.1 | -173.3 | 173.8 | 0 | 0 | 112 | L959 E960 | L959-E963 PolarHBondContact O-N 3.48Å; L959-E963 VanDerWaalsContact O-N 3.07Å; E960-E963 PolarHBondContact O-N 3.35Å |
| 964 | I | 87 | Confident | 86.8 | Confident | 96 Ų | 96 | 82 Ų | 82 | 49% | 0.492 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -77.9 | -34.3 | -175.4 | -67.5 | 167.2 | 0 | 0 | 0 | 112.1 | E960 F972 | E960-I964 HydrophobicContact CG-CD1 4.17Å; E960-I964 WeakPolarHBondContact O-CB 3.46Å; E960-I964 WeakPolarHBondContact O-CG1 3.34Å; E960-I964 PolarHBondContact O-N 3.26Å; I964-F972 HydrophobicContact CD1-CE2 3.82Å; I964-F972 HydrophobicContact CD1-CZ 3.68Å |
| 965 | R | 85.9 | Confident | 86.8 | Confident | 209 Ų | 209 | 84.2 Ų | 84.2 | 79% | 0.789 | 44% | 0.442 | S | S | * | . | trans | 49 | 61.9 | -172.8 | -61.4 | -175.4 | 179.6 | -179 | -2.2 | 113.2 | C961 | C961-R965 WeakPolarHBondContact O-CA 3.26Å; C961-R965 PolarHBondContact O-N 2.85Å | ||
| 966 | P | 85.1 | Confident | 86.7 | Confident | 36 Ų | 36 | 83.2 Ų | 83.2 | 23% | 0.234 | 43% | 0.431 | C | S | . | . | trans | -63.6 | 156.4 | 174.7 | 32.3 | -38.6 | 0 | 0 | 0 | 111.6 | C961 D968 F972 | C961-P966 WeakPolarHBondContact O-CD 3.41Å; P966-D968 VanDerWaalsContact C-N 3.33Å; P966-D968 PolarHBondContact O-N 3.3Å; P966-F972 HydrophobicContact CB-CB 3.89Å; P966-F972 HydrophobicContact CB-CD2 4.18Å; P966-F972 HydrophobicContact CB-CG 4.15Å; P966-F972 HydrophobicContact CG-CB 3.46Å; P966-F972 VanDerWaalsContact CG-CB 3.46Å; P966-F972 HydrophobicContact CG-CD1 4.14Å; P966-F972 HydrophobicContact CG-CD2 4.06Å; P966-F972 HydrophobicContact CG-CG 3.62Å | ||
| 967 | D | 84.9 | Confident | 86.5 | Confident | 179 Ų | 179 | 80 Ų | 80 | 96% | 0.957 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -63.4 | -36.3 | 179.6 | -65.2 | -49.8 | 0 | 0 | 0 | 112.8 | ||
| 968 | D | 89.1 | Confident | 86.3 | Confident | 85 Ų | 85 | 86.3 Ų | 86.3 | 46% | 0.455 | 45% | 0.451 | S | S | . | . | trans | -114.5 | 106.2 | 166.7 | -166.1 | -35.5 | 0 | 0 | 0 | 110.5 | P966 V970 D971 F972 | P966-D968 VanDerWaalsContact C-N 3.33Å; P966-D968 PolarHBondContact O-N 3.3Å; D968-V970 VanDerWaalsContact C-N 3.34Å; D968-V970 WeakPolarHBondContact OD1-CA 3.24Å; D968-V970 WeakPolarHBondContact OD1-CB 3.39Å; D968-V970 PolarHBondContact OD1-N 3.46Å; D968-D971 HydrophobicContact CB-CB 3.93Å; D968-D971 PolarHBondContact OD1-N 2.83Å; D968-F972 WeakPolarHBondContact O-CB 3.11Å; D968-F972 PolarHBondContact O-N 3.4Å; D968-F972 VanDerWaalsContact O-N 3.08Å | ||
| 969 | P | 86.7 | Confident | 85.9 | Confident | 68 Ų | 68 | 88.5 Ų | 88.5 | 44% | 0.442 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -73.8 | -23.1 | 178.1 | 30.4 | -35 | 0 | 0 | 0 | 113.2 | C961 V973 | C961-P969 WeakPolarHBondContact SG-CB 3.19Å; P969-V973 WeakPolarHBondContact O-CB 3.38Å; P969-V973 VanDerWaalsContact O-CG2 3.23Å; P969-V973 WeakPolarHBondContact O-CG2 3.38Å; P969-V973 PolarHBondContact O-N 2.71Å; P969-V973 VanDerWaalsContact O-N 3.13Å |
| 970 | V | 86.5 | Confident | 85.2 | Confident | 114 Ų | 114 | 86.2 Ų | 86.2 | 69% | 0.691 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -74.8 | -47.9 | 177.3 | -178.4 | 0 | 0 | 0 | 0 | 109.2 | D968 V973 A974 | D968-V970 VanDerWaalsContact C-N 3.34Å; D968-V970 WeakPolarHBondContact OD1-CA 3.24Å; D968-V970 WeakPolarHBondContact OD1-CB 3.39Å; D968-V970 PolarHBondContact OD1-N 3.46Å; V970-V973 PolarHBondContact O-N 2.83Å; V970-A974 WeakPolarHBondContact O-CB 3.4Å; V970-A974 PolarHBondContact O-N 3.38Å |
| 971 | D | 87.8 | Confident | 83.9 | Confident | 114 Ų | 114 | 83.5 Ų | 83.5 | 61% | 0.61 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -68.3 | -37.3 | -179.7 | -148 | 37.7 | 0 | 0 | 0 | 111.1 | D968 A974 E975 | D968-D971 HydrophobicContact CB-CB 3.93Å; D968-D971 PolarHBondContact OD1-N 2.83Å; D971-A974 PolarHBondContact O-N 3.36Å; D971-E975 WeakPolarHBondContact O-CB 3.37Å; D971-E975 PolarHBondContact O-N 2.87Å |
| 972 | F | 88.6 | Confident | 82.5 | Confident | 38 Ų | 38 | 86.2 Ų | 86.2 | 17% | 0.167 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -60.7 | -47.4 | 170.3 | 175.8 | -89.9 | 0 | 0 | 0 | 112.8 | E960 C961 I964 P966 D968 A974 E975 Y976 | E960-F972 HydrophobicContact CB-CE1 4.36Å; E960-F972 HydrophobicContact CB-CZ 4.32Å; C961-F972 HydrophobicContact CB-CD1 3.67Å; C961-F972 HydrophobicContact CB-CE1 3.78Å; I964-F972 HydrophobicContact CD1-CE2 3.82Å; I964-F972 HydrophobicContact CD1-CZ 3.68Å; P966-F972 HydrophobicContact CB-CB 3.89Å; P966-F972 HydrophobicContact CB-CD2 4.18Å; P966-F972 HydrophobicContact CB-CG 4.15Å; P966-F972 HydrophobicContact CG-CB 3.46Å; P966-F972 VanDerWaalsContact CG-CB 3.46Å; P966-F972 HydrophobicContact CG-CD1 4.14Å; P966-F972 HydrophobicContact CG-CD2 4.06Å; P966-F972 HydrophobicContact CG-CG 3.62Å; D968-F972 WeakPolarHBondContact O-CB 3.11Å; D968-F972 PolarHBondContact O-N 3.4Å; D968-F972 VanDerWaalsContact O-N 3.08Å; F972-A974 VanDerWaalsContact C-N 3.32Å; F972-A974 PolarHBondContact O-N 3.47Å; F972-E975 PolarHBondContact O-N 3.13Å; F972-Y976 HydrophobicContact CE1-CD2 4.42Å; F972-Y976 HydrophobicContact CZ-CD2 4.26Å; F972-Y976 VanDerWaalsContact O-CB 3.24Å; F972-Y976 WeakPolarHBondContact O-CB 3.09Å; F972-Y976 PolarHBondContact O-N 2.94Å |
| 973 | V | 85.4 | Confident | 80.9 | Confident | 19 Ų | 19 | 88.1 Ų | 88.1 | 12% | 0.115 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -65.8 | -37.2 | 178.6 | 168.1 | 0 | 0 | 0 | 0 | 110.8 | L954 A957 L958 C961 P969 V970 Y976 L977 | L954-V973 HydrophobicContact CD1-CG1 3.94Å; A957-V973 HydrophobicContact CB-CG1 4.03Å; A957-V973 HydrophobicContact CB-CG2 4.29Å; L958-V973 HydrophobicContact CD2-CG2 4.27Å; C961-V973 HydrophobicContact CB-CG2 3.99Å; P969-V973 WeakPolarHBondContact O-CB 3.38Å; P969-V973 VanDerWaalsContact O-CG2 3.23Å; P969-V973 WeakPolarHBondContact O-CG2 3.38Å; P969-V973 PolarHBondContact O-N 2.71Å; P969-V973 VanDerWaalsContact O-N 3.13Å; V970-V973 PolarHBondContact O-N 2.83Å; V973-Y976 PolarHBondContact O-N 2.64Å; V973-L977 HydrophobicContact CG1-CD1 3.8Å; V973-L977 HydrophobicContact CG1-CG 4.36Å; V973-L977 WeakPolarHBondContact O-CB 3.39Å; V973-L977 WeakPolarHBondContact O-CG 3.43Å; V973-L977 PolarHBondContact O-N 3.13Å |
| 974 | A | 85.5 | Confident | 79.2 | Confident | 41 Ų | 41 | 89.8 Ų | 89.8 | 34% | 0.339 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.8 | -49.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V970 D971 F972 Y976 L977 L978 | V970-A974 WeakPolarHBondContact O-CB 3.4Å; V970-A974 PolarHBondContact O-N 3.38Å; D971-A974 PolarHBondContact O-N 3.36Å; F972-A974 VanDerWaalsContact C-N 3.32Å; F972-A974 PolarHBondContact O-N 3.47Å; A974-Y976 VanDerWaalsContact C-N 3.3Å; A974-Y976 PolarHBondContact O-N 2.85Å; A974-L977 PolarHBondContact O-N 3Å; A974-L978 WeakPolarHBondContact O-CB 3.23Å; A974-L978 VanDerWaalsContact O-CG 3.28Å; A974-L978 WeakPolarHBondContact O-CG 3.12Å; A974-L978 PolarHBondContact O-N 2.86Å |
| 975 | E | 84.6 | Confident | 77.6 | Confident | 95 Ų | 95 | 88.8 Ų | 88.8 | 44% | 0.444 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.1 | -35.6 | 178.1 | -152.7 | -149.5 | -175.2 | 0 | 0 | 111.8 | D971 F972 L978 K979 | D971-E975 WeakPolarHBondContact O-CB 3.37Å; D971-E975 PolarHBondContact O-N 2.87Å; F972-E975 PolarHBondContact O-N 3.13Å; E975-L978 PolarHBondContact O-N 2.63Å; E975-K979 VanDerWaalsContact CD-CE 3.42Å; E975-K979 HydrophobicContact CG-CD 4.48Å; E975-K979 WeakPolarHBondContact O-CB 3.35Å; E975-K979 WeakPolarHBondContact O-CG 3.46Å; E975-K979 PolarHBondContact O-N 2.8Å; E975-K979 WeakPolarHBondContact OE1-CE 3.44Å; E975-K979 IonicContact OE1-NZ 2.63Å; E975-K979 PolarHBondContact OE1-NZ 3.3Å; E975-K979 IonicContact OE2-NZ 2.67Å; E975-K979 PolarHBondContact OE2-NZ 2.9Å |
| 976 | Y | 85.2 | Confident | 75.2 | Confident | 34 Ų | 34 | 90.1 Ų | 90.1 | 13% | 0.133 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -64.2 | -46.4 | 174.6 | -170.8 | -86.7 | 0 | 0 | 0 | 112.4 | K956 A957 E960 F972 V973 A974 L978 K979 T980 | K956-Y976 HydrophobicContact CB-CE1 4.18Å; A957-Y976 HydrophobicContact CB-CD1 3.33Å; A957-Y976 HydrophobicContact CB-CE1 3.82Å; A957-Y976 HydrophobicContact CB-CG 3.93Å; E960-Y976 HydrophobicContact CB-CE2 4.26Å; E960-Y976 VanDerWaalsContact CD-CE2 3.41Å; E960-Y976 HydrophobicContact CG-CE2 4.4Å; E960-Y976 WeakPolarHBondContact OE2-CE2 3.49Å; E960-Y976 VanDerWaalsContact OE2-CZ 3.24Å; E960-Y976 PolarHBondContact OE2-OH 3.32Å; F972-Y976 HydrophobicContact CE1-CD2 4.42Å; F972-Y976 HydrophobicContact CZ-CD2 4.26Å; F972-Y976 VanDerWaalsContact O-CB 3.24Å; F972-Y976 WeakPolarHBondContact O-CB 3.09Å; F972-Y976 PolarHBondContact O-N 2.94Å; V973-Y976 PolarHBondContact O-N 2.64Å; A974-Y976 VanDerWaalsContact C-N 3.3Å; A974-Y976 PolarHBondContact O-N 2.85Å; Y976-L978 VanDerWaalsContact C-N 3.3Å; Y976-L978 PolarHBondContact O-N 3.08Å; Y976-K979 PolarHBondContact O-N 3.44Å; Y976-T980 HydrophobicContact CD1-CG2 3.85Å; Y976-T980 HydrophobicContact CE1-CG2 3.45Å; Y976-T980 VanDerWaalsContact CE1-CG2 3.45Å; Y976-T980 HydrophobicContact CE2-CG2 4.49Å; Y976-T980 WeakPolarHBondContact O-CB 3.48Å; Y976-T980 PolarHBondContact O-N 3.07Å; Y976-T980 PolarHBondContact O-OG1 2.68Å |
| 977 | L | 82.9 | Confident | 74.7 | Confident | 29 Ų | 29 | 92.9 Ų | 92.9 | 15% | 0.152 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -68 | -31.4 | 178.1 | -68.6 | 170.7 | 0 | 0 | 0 | 111.9 | E953 L954 A957 V973 A974 T980 I982 | E953-L977 HydrophobicContact CB-CD2 4.15Å; L954-L977 HydrophobicContact CD1-CD1 3.98Å; A957-L977 HydrophobicContact CB-CD2 4.34Å; A957-L977 HydrophobicContact CB-CG 4.41Å; V973-L977 HydrophobicContact CG1-CD1 3.8Å; V973-L977 HydrophobicContact CG1-CG 4.36Å; V973-L977 WeakPolarHBondContact O-CB 3.39Å; V973-L977 WeakPolarHBondContact O-CG 3.43Å; V973-L977 PolarHBondContact O-N 3.13Å; A974-L977 PolarHBondContact O-N 3Å; L977-T980 WeakPolarHBondContact CA-OG1 3.48Å; L977-T980 PolarHBondContact O-OG1 3.02Å; L977-I982 HydrophobicContact CB-CD1 3.89Å; L977-I982 HydrophobicContact CD2-CD1 4.13Å; L977-I982 HydrophobicContact CG-CD1 4.48Å; L977-I982 WeakPolarHBondContact O-CG1 3.44Å |
| 978 | L | 83.1 | Confident | 74.2 | Confident | 132 Ų | 132 | 88.3 Ų | 88.3 | 69% | 0.691 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -68.2 | -44.5 | 169.7 | -71.7 | 166 | 0 | 0 | 0 | 111.8 | A974 E975 Y976 G981 | A974-L978 WeakPolarHBondContact O-CB 3.23Å; A974-L978 VanDerWaalsContact O-CG 3.28Å; A974-L978 WeakPolarHBondContact O-CG 3.12Å; A974-L978 PolarHBondContact O-N 2.86Å; E975-L978 PolarHBondContact O-N 2.63Å; Y976-L978 VanDerWaalsContact C-N 3.3Å; Y976-L978 PolarHBondContact O-N 3.08Å; L978-G981 PolarHBondContact O-N 3.43Å |
| 979 | K | 79 | Confident | 73.4 | Confident | 143 Ų | 143 | 88.5 Ų | 88.5 | 62% | 0.622 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -68.4 | -38.9 | 178.5 | -80.4 | 172 | 179.1 | 163.6 | 0 | 113.8 | E975 Y976 G981 | E975-K979 VanDerWaalsContact CD-CE 3.42Å; E975-K979 HydrophobicContact CG-CD 4.48Å; E975-K979 WeakPolarHBondContact O-CB 3.35Å; E975-K979 WeakPolarHBondContact O-CG 3.46Å; E975-K979 PolarHBondContact O-N 2.8Å; E975-K979 WeakPolarHBondContact OE1-CE 3.44Å; E975-K979 IonicContact OE1-NZ 2.63Å; E975-K979 PolarHBondContact OE1-NZ 3.3Å; E975-K979 IonicContact OE2-NZ 2.67Å; E975-K979 PolarHBondContact OE2-NZ 2.9Å; Y976-K979 PolarHBondContact O-N 3.44Å; K979-G981 PolarHBondContact O-N 2.9Å |
| 980 | T | 73.9 | Confident | 72.6 | Confident | 59 Ų | 59 | 89.7 Ų | 89.7 | 36% | 0.362 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -8 | 179.9 | 44.8 | 0 | 0 | 0 | 0 | 113.7 | Y976 L977 | Y976-T980 HydrophobicContact CD1-CG2 3.85Å; Y976-T980 HydrophobicContact CE1-CG2 3.45Å; Y976-T980 VanDerWaalsContact CE1-CG2 3.45Å; Y976-T980 HydrophobicContact CE2-CG2 4.49Å; Y976-T980 WeakPolarHBondContact O-CB 3.48Å; Y976-T980 PolarHBondContact O-N 3.07Å; Y976-T980 PolarHBondContact O-OG1 2.68Å; L977-T980 WeakPolarHBondContact CA-OG1 3.48Å; L977-T980 PolarHBondContact O-OG1 3.02Å |
| 981 | G | 58.5 | Low | 71.7 | Confident | 20 Ų | 20 | 88.2 Ų | 88.2 | 21% | 0.206 | 47% | 0.467 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.9 | 40.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L978 K979 S983 K984 | L978-G981 PolarHBondContact O-N 3.43Å; K979-G981 PolarHBondContact O-N 2.9Å; G981-S983 PolarHBondContact O-N 3.25Å; G981-S983 VanDerWaalsContact O-N 3.08Å; G981-K984 PolarHBondContact O-N 3.39Å |
| 982 | I | 59.5 | Low | 70.7 | Confident | 71 Ų | 71 | 86.5 Ų | 86.5 | 36% | 0.364 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -53.7 | -21.2 | 160.4 | -64.4 | -176.7 | 0 | 0 | 0 | 111 | L977 K984 I985 | L977-I982 HydrophobicContact CB-CD1 3.89Å; L977-I982 HydrophobicContact CD2-CD1 4.13Å; L977-I982 HydrophobicContact CG-CD1 4.48Å; L977-I982 WeakPolarHBondContact O-CG1 3.44Å; I982-K984 PolarHBondContact O-N 3.01Å; I982-I985 HydrophobicContact CG2-CD1 4.24Å; I982-I985 WeakPolarHBondContact O-CB 3.41Å; I982-I985 WeakPolarHBondContact O-CG1 3.5Å; I982-I985 PolarHBondContact O-N 3.03Å |
| 983 | S | 51.4 | Low | 69.4 | Low | 111 Ų | 111 | 89.9 Ų | 89.9 | 78% | 0.776 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -59.6 | -7.2 | 168.3 | 55.8 | 0 | 0 | 0 | 0 | 116.4 | G981 I985 | G981-S983 PolarHBondContact O-N 3.25Å; G981-S983 VanDerWaalsContact O-N 3.08Å; S983-I985 VanDerWaalsContact C-N 3.31Å |
| 984 | K | 53.4 | Low | 68.1 | Low | 192 Ų | 192 | 95.4 Ų | 95.4 | 84% | 0.835 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -85.1 | -0.2 | 168.5 | -78.3 | -175 | 176.1 | 174.3 | 0 | 114.2 | G981 I982 | G981-K984 PolarHBondContact O-N 3.39Å; I982-K984 PolarHBondContact O-N 3.01Å |
| 985 | I | 53.2 | Low | 66.7 | Low | 76 Ų | 76 | 99.9 Ų | 99.9 | 39% | 0.39 | 52% | 0.52 | S | S | . | . | trans | -103.6 | 86.7 | -173.1 | -48.3 | -178.4 | 0 | 0 | 0 | 109.8 | Y945 I982 S983 | Y945-I985 WeakPolarHBondContact OH-CG2 3.48Å; I982-I985 HydrophobicContact CG2-CD1 4.24Å; I982-I985 WeakPolarHBondContact O-CB 3.41Å; I982-I985 WeakPolarHBondContact O-CG1 3.5Å; I982-I985 PolarHBondContact O-N 3.03Å; S983-I985 VanDerWaalsContact C-N 3.31Å | ||
| 986 | N | 35.6 | Very low | 65.1 | Low | 237 Ų | 237 | 100.4 Ų | 100.4 | 100% | 1.267 | 53% | 0.527 | S | S | * | . | trans | -102.4 | 0 | 155.2 | -94.2 | -12.1 | 0 | 0 | 0 | 108.3 |
Retrieved 986 of 986 residues in 411.6 ms
(Link to these results)