| 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 | 35.7 | Very low | 43.6 | Very low | 187 Ų | 187 | 136.6 Ų | 136.6 | 92% | 0.921 | 65% | 0.646 | S | S | * | * | 0 | -62.7 | 0 | -151 | 179.8 | -81.3 | 0 | 0 | 112.3 | R3 W4 I5 | M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.17Å; M1-W4 WeakPolarHBondContact O-CB 3.17Å; M1-W4 PolarHBondContact O-N 3.04Å; M1-I5 HydrophobicContact CG-CD1 4.32Å; M1-I5 WeakPolarHBondContact O-CG1 3.4Å; M1-I5 PolarHBondContact O-N 3.1Å | |||
| 2 | L | 40.1 | Very low | 42.8 | Very low | 136 Ų | 136 | 130 Ų | 130 | 71% | 0.712 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -54.9 | -39.6 | 175.3 | -100.7 | 144.7 | 0 | 0 | 0 | 114.8 | R6 | L2-R6 WeakPolarHBondContact O-CG 2.93Å; L2-R6 PolarHBondContact O-N 3.35Å |
| 3 | R | 35.1 | Very low | 42.8 | Very low | 207 Ų | 207 | 126.7 Ų | 126.7 | 78% | 0.781 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65 | -36.8 | 174.2 | -128.1 | 179 | -174.2 | 176.6 | 1 | 113.2 | M1 Q7 | M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.17Å; R3-Q7 PolarHBondContact O-N 3.32Å; R3-Q7 VanDerWaalsContact O-N 3.16Å |
| 4 | W | 52.1 | Low | 42.6 | Very low | 160 Ų | 160 | 126.3 Ų | 126.3 | 61% | 0.606 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -74.1 | -38.2 | 179.2 | -177.7 | 84.4 | 0 | 0 | 0 | 111.4 | M1 Q7 Q8 | M1-W4 WeakPolarHBondContact O-CB 3.17Å; M1-W4 PolarHBondContact O-N 3.04Å; W4-Q7 PolarHBondContact O-N 3.01Å; W4-Q8 HydrophobicContact CH2-CG 4.47Å; W4-Q8 HydrophobicContact CZ2-CG 4.34Å; W4-Q8 PolarHBondContact O-N 3.34Å; W4-Q8 VanDerWaalsContact O-N 3.07Å |
| 5 | I | 56 | Low | 42.5 | Very low | 76 Ų | 76 | 130.3 Ų | 130.3 | 39% | 0.39 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -64.6 | -40.1 | 173.1 | -66.8 | 168.4 | 0 | 0 | 0 | 110.9 | M1 Q7 Q8 L9 | M1-I5 HydrophobicContact CG-CD1 4.32Å; M1-I5 WeakPolarHBondContact O-CG1 3.4Å; M1-I5 PolarHBondContact O-N 3.1Å; I5-Q7 PolarHBondContact O-N 3.25Å; I5-Q8 PolarHBondContact O-N 2.91Å; I5-L9 HydrophobicContact CG2-CD1 3.64Å; I5-L9 HydrophobicContact CG2-CG 4.42Å; I5-L9 WeakPolarHBondContact O-CB 3.37Å; I5-L9 WeakPolarHBondContact O-CG 3.48Å; I5-L9 PolarHBondContact O-N 3.15Å |
| 6 | R | 49.5 | Very low | 43.1 | Very low | 138 Ų | 138 | 130.1 Ų | 130.1 | 52% | 0.521 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -63.9 | -36.8 | 174.8 | -80.5 | -175.6 | 175.3 | -167.8 | -1.2 | 113.5 | L2 G10 F11 D12 | L2-R6 WeakPolarHBondContact O-CG 2.93Å; L2-R6 PolarHBondContact O-N 3.35Å; R6-G10 PolarHBondContact O-N 3.36Å; R6-F11 HydrophobicContact CB-CB 4.26Å; R6-F11 HydrophobicContact CG-CB 4.33Å; R6-F11 PolarHBondContact O-N 2.75Å; R6-D12 WeakPolarHBondContact CB-OD2 3.49Å; R6-D12 PolarHBondContact O-N 2.93Å |
| 7 | Q | 35.8 | Very low | 44.1 | Very low | 118 Ų | 118 | 125.4 Ų | 125.4 | 55% | 0.551 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67.5 | -42.1 | 174.4 | -81.1 | 178.4 | -30.3 | 0 | 0 | 112.5 | R3 W4 I5 L9 G10 D12 | R3-Q7 PolarHBondContact O-N 3.32Å; R3-Q7 VanDerWaalsContact O-N 3.16Å; W4-Q7 PolarHBondContact O-N 3.01Å; I5-Q7 PolarHBondContact O-N 3.25Å; Q7-L9 VanDerWaalsContact C-N 3.34Å; Q7-L9 PolarHBondContact O-N 3.19Å; Q7-G10 PolarHBondContact O-N 3.04Å; Q7-D12 HydrophobicContact CG-CB 4.18Å |
| 8 | Q | 44.9 | Very low | 45.5 | Very low | 143 Ų | 143 | 126.8 Ų | 126.8 | 67% | 0.668 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.2 | -31.5 | 177.3 | -78.8 | -73.8 | -27.3 | 0 | 0 | 113.1 | W4 I5 G10 | W4-Q8 HydrophobicContact CH2-CG 4.47Å; W4-Q8 HydrophobicContact CZ2-CG 4.34Å; W4-Q8 PolarHBondContact O-N 3.34Å; W4-Q8 VanDerWaalsContact O-N 3.07Å; I5-Q8 PolarHBondContact O-N 2.91Å; Q8-G10 VanDerWaalsContact C-N 3.32Å |
| 9 | L | 49.8 | Very low | 47.2 | Very low | 118 Ų | 118 | 123.8 Ų | 123.8 | 62% | 0.618 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 3.3 | 177.3 | -68.5 | 169.1 | 0 | 0 | 0 | 113.9 | I5 Q7 F11 | I5-L9 HydrophobicContact CG2-CD1 3.64Å; I5-L9 HydrophobicContact CG2-CG 4.42Å; I5-L9 WeakPolarHBondContact O-CB 3.37Å; I5-L9 WeakPolarHBondContact O-CG 3.48Å; I5-L9 PolarHBondContact O-N 3.15Å; Q7-L9 VanDerWaalsContact C-N 3.34Å; Q7-L9 PolarHBondContact O-N 3.19Å; L9-F11 VanDerWaalsContact C-N 3.28Å; L9-F11 HydrophobicContact CB-CD2 3.84Å; L9-F11 HydrophobicContact CB-CE2 4.39Å; L9-F11 PolarHBondContact O-N 3.32Å |
| 10 | G | 36.4 | Very low | 49.2 | Very low | 63 Ų | 63 | 117.9 Ų | 117.9 | 65% | 0.649 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.9 | 18.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | R6 Q7 Q8 | R6-G10 PolarHBondContact O-N 3.36Å; Q7-G10 PolarHBondContact O-N 3.04Å; Q8-G10 VanDerWaalsContact C-N 3.32Å |
| 11 | F | 44.3 | Very low | 51.1 | Low | 157 Ų | 157 | 113.4 Ų | 113.4 | 69% | 0.689 | 57% | 0.57 | S | S | * | * | trans | -82.2 | -26.5 | 178.5 | -89.3 | -78.7 | 0 | 0 | 0 | 113.5 | R6 L9 | R6-F11 HydrophobicContact CB-CB 4.26Å; R6-F11 HydrophobicContact CG-CB 4.33Å; R6-F11 PolarHBondContact O-N 2.75Å; L9-F11 VanDerWaalsContact C-N 3.28Å; L9-F11 HydrophobicContact CB-CD2 3.84Å; L9-F11 HydrophobicContact CB-CE2 4.39Å; L9-F11 PolarHBondContact O-N 3.32Å | ||
| 12 | D | 34.2 | Very low | 53.7 | Low | 57 Ų | 57 | 104.6 Ų | 104.6 | 31% | 0.305 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -102.2 | 118.3 | 171.9 | -71.7 | -31.8 | 0 | 0 | 0 | 108.2 | R6 Q7 | R6-D12 WeakPolarHBondContact CB-OD2 3.49Å; R6-D12 PolarHBondContact O-N 2.93Å; Q7-D12 HydrophobicContact CG-CB 4.18Å |
| 13 | P | 42.8 | Very low | 56.1 | Low | 87 Ų | 87 | 100.1 Ų | 100.1 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -61 | 146.7 | 179.4 | 23.3 | -30.8 | 0 | 0 | 0 | 110.7 | ||
| 14 | P | 40.3 | Very low | 58.7 | Low | 121 Ų | 121 | 90.3 Ų | 90.3 | 79% | 0.786 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -58.6 | 143.7 | 175.4 | 26.7 | -32.7 | 0 | 0 | 0 | 109 | Q16 | P14-Q16 PolarHBondContact O-N 3.42Š|
| 15 | H | 40.8 | Very low | 60.3 | Low | 186 Ų | 186 | 84.4 Ų | 84.4 | 86% | 0.861 | 45% | 0.449 | S | S | * | . | trans | -25.6 | 105.9 | -176.1 | -74.2 | -55 | 0 | 0 | 0 | 113.2 | S17 | H15-S17 PolarHBondContact O-N 3.48Å; H15-S17 VanDerWaalsContact O-N 3.15Å | ||
| 16 | Q | 51 | Low | 61.5 | Low | 127 Ų | 127 | 83.5 Ų | 83.5 | 59% | 0.593 | 45% | 0.445 | S | S | * | . | trans | -62.6 | 116.8 | 171.3 | -83.2 | 174.6 | -25 | 0 | 0 | 107 | P14 | P14-Q16 PolarHBondContact O-N 3.42Š| ||
| 17 | S | 61 | Low | 62.9 | Low | 50 Ų | 50 | 82 Ų | 82 | 35% | 0.35 | 44% | 0.44 | S | S | . | . | trans | -52.9 | 145 | 159.9 | 47.5 | 0 | 0 | 0 | 0 | 108.8 | H15 T19 Q37 Q212 | H15-S17 PolarHBondContact O-N 3.48Å; H15-S17 VanDerWaalsContact O-N 3.15Å; S17-T19 WeakPolarHBondContact CB-O 3.29Å; S17-T19 PolarHBondContact O-N 3.04Å; S17-T19 PolarHBondContact OG-O 3.04Å; S17-Q37 PolarHBondContact OG-NE2 3.43Å; S17-Q37 VanDerWaalsContact OG-NE2 3.08Å; S17-Q212 PolarHBondContact O-NE2 3.26Å | ||
| 18 | D | 68.6 | Low | 65.1 | Low | 151 Ų | 151 | 80.9 Ų | 80.9 | 81% | 0.807 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -56.7 | -18.1 | 178.4 | -67.7 | -30.5 | 0 | 0 | 0 | 112.6 | ||
| 19 | T | 78.5 | Confident | 66.4 | Low | 71 Ų | 71 | 77.1 Ų | 77.1 | 44% | 0.436 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 157.7 | 178.8 | 58 | 0 | 0 | 0 | 0 | 112.2 | S17 C210 | S17-T19 WeakPolarHBondContact CB-O 3.29Å; S17-T19 PolarHBondContact O-N 3.04Å; S17-T19 PolarHBondContact OG-O 3.04Å; T19-C210 CarbonylContact C-O 3.51Å; T19-C210 WeakPolarHBondContact CA-O 3.39Å |
| 20 | R | 87.9 | Confident | 67.1 | Low | 4 Ų | 4 | 80 Ų | 80 | 2% | 0.015 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 147.2 | 170.2 | 61.6 | 165.4 | 50.8 | -166.2 | -10.5 | 111.2 | F39 E209 C210 V260 E265 | R20-F39 HydrophobicContact CB-CE1 4.34Å; R20-E209 WeakPolarHBondContact O-CA 3.46Å; R20-C210 VanDerWaalsContact CG-SG 3.51Å; R20-C210 PolarHBondContact N-O 3.43Å; R20-C210 PolarHBondContact O-N 3.41Å; R20-V260 PolarHBondContact NH1-O 2.88Å; R20-E265 IonicContact CZ-OE2 2.85Å; R20-E265 IonicContact NH1-OE2 3.08Å; R20-E265 PolarHBondContact NH1-OE2 3.21Å; R20-E265 IonicContact NH2-OE1 3.27Å; R20-E265 PolarHBondContact NH2-OE1 2.78Å; R20-E265 IonicContact NH2-OE2 3.03Å; R20-E265 PolarHBondContact NH2-OE2 2.84Å |
| 21 | T | 89 | Confident | 68 | Low | 25 Ų | 25 | 85.6 Ų | 85.6 | 15% | 0.153 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 124.9 | 179.3 | -53.6 | 0 | 0 | 0 | 0 | 109.6 | Y23 V207 E209 | T21-Y23 HydrophobicContact CG2-CE2 3.91Å; T21-V207 HydrophobicContact CG2-CG1 3.48Å; T21-V207 VanDerWaalsContact CG2-CG1 3.48Å; T21-E209 HydrophobicContact CG2-CG 3.95Å |
| 22 | V | 90.6 | Very high | 68.5 | Low | 2 Ų | 2 | 80.9 Ų | 80.9 | 1% | 0.012 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 119.5 | -175.6 | 178.6 | 0 | 0 | 0 | 0 | 109 | V142 V208 V258 V260 | V22-V142 HydrophobicContact CB-CG1 4.15Å; V22-V142 HydrophobicContact CG1-CG1 3.65Å; V22-V142 HydrophobicContact CG2-CG1 3.5Å; V22-V142 VanDerWaalsContact CG2-CG1 3.5Å; V22-V208 HydrophobicContact CB-CB 4.3Å; V22-V208 PolarHBondContact N-O 3.41Å; V22-V208 PolarHBondContact O-N 3.3Å; V22-V258 HydrophobicContact CG1-CG2 4.38Å; V22-V260 HydrophobicContact CG2-CG1 4.44Å |
| 23 | Y | 90.3 | Very high | 69.2 | Low | 41 Ų | 41 | 88 Ų | 88 | 16% | 0.161 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 121.7 | 175.4 | -67.9 | -91.1 | 0 | 0 | 0 | 109.6 | T21 A25 N26 R27 F28 P29 Y34 G143 V207 | T21-Y23 HydrophobicContact CG2-CE2 3.91Å; Y23-A25 PolarHBondContact O-N 2.99Å; Y23-N26 PolarHBondContact O-N 2.72Å; Y23-N26 VanDerWaalsContact O-N 3.13Å; Y23-R27 WeakPolarHBondContact CB-O 3.35Å; Y23-R27 VanDerWaalsContact CD1-O 3.26Å; Y23-R27 WeakPolarHBondContact CD1-O 3.25Å; Y23-F28 AromaticContact CD2-CD1 3.7Å; Y23-F28 HydrophobicContact CD2-CD1 3.7Å; Y23-F28 AromaticContact CD2-CE1 3.86Å; Y23-F28 HydrophobicContact CD2-CE1 3.86Å; Y23-F28 HydrophobicContact CE2-CD1 4.21Å; Y23-F28 HydrophobicContact CG-CD1 4.06Å; Y23-F28 HydrophobicContact CG-CE1 4.37Å; Y23-P29 HydrophobicContact CE1-CG 4.3Å; Y23-Y34 HydrophobicContact CD2-CE2 4.48Å; Y23-Y34 HydrophobicContact CE2-CD2 4.32Å; Y23-Y34 HydrophobicContact CE2-CE1 4.42Å; Y23-Y34 AromaticContact CE2-CE2 3.49Å; Y23-Y34 HydrophobicContact CE2-CE2 3.49Å; Y23-Y34 VanDerWaalsContact CE2-CE2 3.49Å; Y23-Y34 AromaticContact CE2-CZ 3.55Å; Y23-Y34 WeakPolarHBondContact CE2-OH 3.3Å; Y23-G143 WeakPolarHBondContact O-CA 3.48Å; Y23-V207 HydrophobicContact CD1-CG1 4.41Å; Y23-V207 HydrophobicContact CD1-CG2 3.69Å; Y23-V207 HydrophobicContact CE1-CG1 4.21Å; Y23-V207 HydrophobicContact CE1-CG2 3.69Å |
| 24 | V | 89.3 | Confident | 70.1 | Confident | 2 Ų | 2 | 86.8 Ų | 86.8 | 1% | 0.012 | 45% | 0.452 | C | S | . | . | G | 310 helix | trans | -63.3 | 136.5 | 179.1 | -179.9 | 0 | 0 | 0 | 0 | 109.4 | N26 R27 I145 L161 L204 A206 V208 V258 | V24-N26 PolarHBondContact O-N 2.95Å; V24-N26 VanDerWaalsContact O-N 3.15Å; V24-R27 PolarHBondContact O-N 3.08Å; V24-I145 HydrophobicContact CG1-CD1 3.81Å; V24-I145 HydrophobicContact CG1-CG1 3.89Å; V24-L161 HydrophobicContact CG1-CD1 4.3Å; V24-L204 HydrophobicContact CG1-CD2 4.38Å; V24-A206 HydrophobicContact CB-CB 4.23Å; V24-A206 WeakPolarHBondContact CB-O 3.25Å; V24-A206 HydrophobicContact CG2-CB 3.78Å; V24-A206 VanDerWaalsContact CG2-O 3.32Å; V24-A206 WeakPolarHBondContact CG2-O 3.41Å; V24-A206 PolarHBondContact N-O 3.04Å; V24-V208 HydrophobicContact CG2-CG2 4.38Å; V24-V258 HydrophobicContact CG1-CG2 4.49Å; V24-V258 HydrophobicContact CG2-CB 4.41Å; V24-V258 HydrophobicContact CG2-CG1 4.32Å; V24-V258 HydrophobicContact CG2-CG2 4.15Å |
| 25 | A | 84.8 | Confident | 71.4 | Confident | 35 Ų | 35 | 88.1 Ų | 88.1 | 29% | 0.289 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | 57.9 | 20.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y23 R27 G143 I145 | Y23-A25 PolarHBondContact O-N 2.99Å; A25-R27 PolarHBondContact O-N 2.9Å; A25-G143 WeakPolarHBondContact CA-O 3.43Å; A25-G143 PolarHBondContact N-O 3.43Å; A25-I145 HydrophobicContact CB-CD1 4.17Å |
| 26 | N | 82.7 | Confident | 72.6 | Confident | 57 Ų | 57 | 83.1 Ų | 83.1 | 31% | 0.305 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | 56.5 | 33.2 | -178.7 | -63.3 | -61.5 | 0 | 0 | 0 | 114.1 | Y23 V24 F28 V142 D144 | Y23-N26 PolarHBondContact O-N 2.72Å; Y23-N26 VanDerWaalsContact O-N 3.13Å; V24-N26 PolarHBondContact O-N 2.95Å; V24-N26 VanDerWaalsContact O-N 3.15Å; N26-F28 HydrophobicContact CB-CE2 4.22Å; N26-F28 HydrophobicContact CB-CZ 4.44Å; N26-F28 VanDerWaalsContact O-CD2 3.32Å; N26-F28 WeakPolarHBondContact O-CD2 3.34Å; N26-F28 WeakPolarHBondContact O-CE2 3.32Å; N26-F28 PolarHBondContact O-N 2.8Å; N26-V142 PolarHBondContact OD1-O 2.97Å; N26-D144 PolarHBondContact ND2-OD1 3.43Å |
| 27 | R | 78.8 | Confident | 73.6 | Confident | 108 Ų | 108 | 80.1 Ų | 80.1 | 41% | 0.408 | 42% | 0.42 | S | S | . | . | trans | -87.3 | 100.9 | 174.4 | -75.3 | -172.7 | 173.8 | 166 | 3.9 | 111.2 | Y23 V24 A25 E202 | Y23-R27 WeakPolarHBondContact CB-O 3.35Å; Y23-R27 VanDerWaalsContact CD1-O 3.26Å; Y23-R27 WeakPolarHBondContact CD1-O 3.25Å; V24-R27 PolarHBondContact O-N 3.08Å; A25-R27 PolarHBondContact O-N 2.9Å; R27-E202 PolarHBondContact NH1-O 3.21Å; R27-E202 PolarHBondContact NH2-O 3.04Å | ||
| 28 | F | 80.4 | Confident | 74.5 | Confident | 94 Ų | 94 | 89.4 Ų | 89.4 | 41% | 0.412 | 45% | 0.448 | S | S | . | . | trans | -85.9 | 148.8 | 177.9 | -55.6 | -73.4 | 0 | 0 | 0 | 111.3 | Y23 N26 E30 Y34 | Y23-F28 AromaticContact CD2-CD1 3.7Å; Y23-F28 HydrophobicContact CD2-CD1 3.7Å; Y23-F28 AromaticContact CD2-CE1 3.86Å; Y23-F28 HydrophobicContact CD2-CE1 3.86Å; Y23-F28 HydrophobicContact CE2-CD1 4.21Å; Y23-F28 HydrophobicContact CG-CD1 4.06Å; Y23-F28 HydrophobicContact CG-CE1 4.37Å; N26-F28 HydrophobicContact CB-CE2 4.22Å; N26-F28 HydrophobicContact CB-CZ 4.44Å; N26-F28 VanDerWaalsContact O-CD2 3.32Å; N26-F28 WeakPolarHBondContact O-CD2 3.34Å; N26-F28 WeakPolarHBondContact O-CE2 3.32Å; N26-F28 PolarHBondContact O-N 2.8Å; F28-E30 PolarHBondContact O-N 3.25Å; F28-Y34 HydrophobicContact CB-CD1 4.37Å; F28-Y34 AromaticContact CD1-CD1 3.84Å; F28-Y34 HydrophobicContact CD1-CD1 3.84Å; F28-Y34 AromaticContact CD1-CE1 3.2Å; F28-Y34 HydrophobicContact CD1-CE1 3.2Å; F28-Y34 AromaticContact CD1-CZ 3.8Å; F28-Y34 AromaticContact CE1-CE1 3.55Å; F28-Y34 HydrophobicContact CE1-CE1 3.55Å; F28-Y34 AromaticContact CE1-CZ 3.98Å; F28-Y34 HydrophobicContact CG-CD1 4.31Å; F28-Y34 HydrophobicContact CG-CE1 4.05Å | ||
| 29 | P | 73.8 | Confident | 75.4 | Confident | 64 Ų | 64 | 85 Ų | 85 | 42% | 0.416 | 42% | 0.422 | S | S | . | . | trans | -63.5 | 132 | 176.9 | 22.9 | -30.6 | 0 | 0 | 0 | 111.3 | Y23 H31 | Y23-P29 HydrophobicContact CE1-CG 4.3Å; P29-H31 VanDerWaalsContact C-N 3.3Å; P29-H31 PolarHBondContact O-N 3.01Å | ||
| 30 | E | 63.3 | Low | 75.8 | Confident | 179 Ų | 179 | 83.3 Ų | 83.3 | 84% | 0.836 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -75.1 | -16.3 | -177.1 | -64.2 | -174.3 | 165.8 | 0 | 0 | 113.5 | F28 | F28-E30 PolarHBondContact O-N 3.25Š|
| 31 | H | 56 | Low | 76.1 | Confident | 179 Ų | 179 | 87.9 Ų | 87.9 | 83% | 0.829 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -126.6 | 84.2 | -173.7 | -62.5 | -23 | 0 | 0 | 0 | 111.4 | P29 | P29-H31 VanDerWaalsContact C-N 3.3Å; P29-H31 PolarHBondContact O-N 3.01Å |
| 32 | G | 54.4 | Low | 76.3 | Confident | 59 Ų | 59 | 86.7 Ų | 86.7 | 61% | 0.608 | 43% | 0.432 | S | S | * | . | S | Bend | trans | 169.4 | 153.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y34 | G32-Y34 PolarHBondContact O-N 3.28Š|
| 33 | H | 49.9 | Very low | 76.4 | Confident | 205 Ų | 205 | 92.6 Ų | 92.6 | 95% | 0.949 | 45% | 0.454 | S | S | * | . | trans | -71.6 | 70.1 | 168 | -71.6 | -71.5 | 0 | 0 | 0 | 109.7 | I35 | H33-I35 PolarHBondContact O-N 2.91Š| ||
| 34 | Y | 61.7 | Low | 76.2 | Confident | 63 Ų | 63 | 91.9 Ų | 91.9 | 25% | 0.247 | 45% | 0.453 | C | S | . | . | trans | -79.6 | 117.7 | 173.6 | 178.6 | -104.1 | 0 | 0 | 0 | 109.4 | Y23 F28 G32 P36 | Y23-Y34 HydrophobicContact CD2-CE2 4.48Å; Y23-Y34 HydrophobicContact CE2-CD2 4.32Å; Y23-Y34 HydrophobicContact CE2-CE1 4.42Å; Y23-Y34 AromaticContact CE2-CE2 3.49Å; Y23-Y34 HydrophobicContact CE2-CE2 3.49Å; Y23-Y34 VanDerWaalsContact CE2-CE2 3.49Å; Y23-Y34 AromaticContact CE2-CZ 3.55Å; Y23-Y34 WeakPolarHBondContact CE2-OH 3.3Å; F28-Y34 HydrophobicContact CB-CD1 4.37Å; F28-Y34 AromaticContact CD1-CD1 3.84Å; F28-Y34 HydrophobicContact CD1-CD1 3.84Å; F28-Y34 AromaticContact CD1-CE1 3.2Å; F28-Y34 HydrophobicContact CD1-CE1 3.2Å; F28-Y34 AromaticContact CD1-CZ 3.8Å; F28-Y34 AromaticContact CE1-CE1 3.55Å; F28-Y34 HydrophobicContact CE1-CE1 3.55Å; F28-Y34 AromaticContact CE1-CZ 3.98Å; F28-Y34 HydrophobicContact CG-CD1 4.31Å; F28-Y34 HydrophobicContact CG-CE1 4.05Å; G32-Y34 PolarHBondContact O-N 3.28Å; Y34-P36 HydrophobicContact CD1-CG 4.1Å; Y34-P36 VanDerWaalsContact CE1-CA 3.45Å; Y34-P36 HydrophobicContact CE1-CB 3.9Å; Y34-P36 HydrophobicContact CE1-CG 3.95Å; Y34-P36 WeakPolarHBondContact O-CD 3.41Å | ||
| 35 | I | 66 | Low | 76 | Confident | 149 Ų | 149 | 96.6 Ų | 96.6 | 76% | 0.764 | 48% | 0.477 | S | S | * | . | trans | -93.6 | 111.4 | 170.5 | -58.6 | 173.7 | 0 | 0 | 0 | 106.7 | H33 Q37 | H33-I35 PolarHBondContact O-N 2.91Å; I35-Q37 PolarHBondContact O-N 2.82Å | ||
| 36 | P | 66.3 | Low | 75.6 | Confident | 80 Ų | 80 | 96.3 Ų | 96.3 | 52% | 0.519 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -60 | 124.8 | 179.9 | -20 | 31 | 0 | 0 | 0 | 110.8 | Y34 R38 | Y34-P36 HydrophobicContact CD1-CG 4.1Å; Y34-P36 VanDerWaalsContact CE1-CA 3.45Å; Y34-P36 HydrophobicContact CE1-CB 3.9Å; Y34-P36 HydrophobicContact CE1-CG 3.95Å; Y34-P36 WeakPolarHBondContact O-CD 3.41Å; P36-R38 PolarHBondContact O-N 3.5Å |
| 37 | Q | 72.5 | Confident | 75.6 | Confident | 64 Ų | 64 | 94.4 Ų | 94.4 | 30% | 0.299 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 132.2 | 168.9 | -75 | -174.2 | -10.2 | 0 | 0 | 108.9 | S17 I35 F39 | S17-Q37 PolarHBondContact OG-NE2 3.43Å; S17-Q37 VanDerWaalsContact OG-NE2 3.08Å; I35-Q37 PolarHBondContact O-N 2.82Å; Q37-F39 HydrophobicContact CB-CE1 4.05Å; Q37-F39 HydrophobicContact CB-CE2 4.23Å; Q37-F39 HydrophobicContact CB-CZ 3.75Å |
| 38 | R | 80.3 | Confident | 75.6 | Confident | 246 Ų | 246 | 92.8 Ų | 92.8 | 93% | 0.928 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -82.7 | 117.2 | 174.8 | -70.9 | -175.3 | 178.9 | 177 | 0.2 | 108.9 | P36 | P36-R38 PolarHBondContact O-N 3.5Š|
| 39 | F | 87.3 | Confident | 75.9 | Confident | 59 Ų | 59 | 88.8 Ų | 88.8 | 26% | 0.259 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -99.4 | 159.2 | 175.7 | -57 | -66.7 | 0 | 0 | 0 | 111.6 | R20 Q37 V142 | R20-F39 HydrophobicContact CB-CE1 4.34Å; Q37-F39 HydrophobicContact CB-CE1 4.05Å; Q37-F39 HydrophobicContact CB-CE2 4.23Å; Q37-F39 HydrophobicContact CB-CZ 3.75Å; F39-V142 HydrophobicContact CB-CB 4.12Å; F39-V142 HydrophobicContact CB-CG2 3.61Å; F39-V142 HydrophobicContact CD1-CB 4.48Å; F39-V142 HydrophobicContact CD1-CG1 4.34Å; F39-V142 HydrophobicContact CD1-CG2 4.16Å; F39-V142 HydrophobicContact CD2-CB 3.64Å; F39-V142 HydrophobicContact CD2-CG1 3.81Å; F39-V142 HydrophobicContact CD2-CG2 4.05Å; F39-V142 HydrophobicContact CE1-CG1 4.35Å; F39-V142 HydrophobicContact CE2-CB 4.15Å; F39-V142 HydrophobicContact CE2-CG1 3.81Å; F39-V142 HydrophobicContact CG-CB 3.82Å; F39-V142 HydrophobicContact CG-CG1 4.08Å; F39-V142 HydrophobicContact CG-CG2 3.67Å; F39-V142 HydrophobicContact CZ-CG1 4.08Å |
| 40 | A | 87.6 | Confident | 76.6 | Confident | 35 Ų | 35 | 89 Ų | 89 | 29% | 0.289 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 144.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T262 E265 | A40-T262 PolarHBondContact O-OG1 3.46Å; A40-E265 HydrophobicContact CB-CG 3.82Å |
| 41 | D | 92.3 | Very high | 77.7 | Confident | 100 Ų | 100 | 88.1 Ų | 88.1 | 54% | 0.535 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 152.9 | 171.5 | -79.6 | -18.5 | 0 | 0 | 0 | 111.8 | R43 G263 | D41-R43 PolarHBondContact O-N 3.15Å; D41-G263 WeakPolarHBondContact O-CA 3.2Å |
| 42 | N | 94.5 | Very high | 79.3 | Confident | 0 Ų | 0 | 90.8 Ų | 90.8 | 0% | 0 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -75.4 | 21 | 179.3 | -160.4 | 39.4 | 0 | 0 | 0 | 115.6 | S137 I140 P155 R245 T262 G263 | N42-S137 PolarHBondContact ND2-O 2.69Å; N42-I140 HydrophobicContact CB-CB 4.09Å; N42-I140 VanDerWaalsContact CB-O 3.31Å; N42-I140 WeakPolarHBondContact CB-O 3.26Å; N42-P155 PolarHBondContact ND2-O 3.22Å; N42-P155 VanDerWaalsContact ND2-O 3.09Å; N42-R245 PolarHBondContact OD1-NH1 3.35Å; N42-T262 HydrophobicContact CB-CG2 4.21Å; N42-G263 PolarHBondContact OD1-N 2.7Å |
| 43 | R | 91.4 | Very high | 81.1 | Confident | 125 Ų | 125 | 90.5 Ų | 90.5 | 47% | 0.472 | 43% | 0.429 | S | S | . | . | trans | -81.6 | 131.1 | 178.7 | -68.9 | 177.7 | -170.2 | -170.6 | 6.7 | 110.7 | D41 K138 | D41-R43 PolarHBondContact O-N 3.15Å; R43-K138 HydrophobicContact CG-CB 3.83Å | ||
| 44 | I | 86.2 | Confident | 83.1 | Confident | 26 Ų | 26 | 83.1 Ų | 83.1 | 13% | 0.133 | 39% | 0.394 | C | S | . | . | trans | -94.2 | 132.4 | 168.1 | -62.6 | -60.9 | 0 | 0 | 0 | 109.1 | N120 M264 A269 | I44-N120 PolarHBondContact N-OD1 3.39Å; I44-N120 PolarHBondContact O-ND2 3.18Å; I44-M264 HydrophobicContact CD1-SD 4.41Å; I44-A269 HydrophobicContact CD1-CB 4.17Å | ||
| 45 | I | 85.3 | Confident | 84.5 | Confident | 101 Ų | 101 | 84.2 Ų | 84.2 | 52% | 0.518 | 41% | 0.408 | S | S | . | . | trans | -131.6 | 105.6 | 179.3 | -54.6 | 174.5 | 0 | 0 | 0 | 107.5 | S47 | I45-S47 WeakPolarHBondContact CG2-OG 3.29Š| ||
| 46 | S | 77.6 | Confident | 85.8 | Confident | 29 Ų | 29 | 81 Ų | 81 | 20% | 0.203 | 40% | 0.396 | C | S | . | . | trans | -102.7 | -16.4 | 173.8 | 73.2 | 0 | 0 | 0 | 0 | 112.8 | D116 | S46-D116 WeakPolarHBondContact CB-OD1 3.32Å; S46-D116 PolarHBondContact N-OD1 3.48Å; S46-D116 PolarHBondContact N-OD2 2.95Å; S46-D116 PolarHBondContact OG-OD1 3.35Å; S46-D116 PolarHBondContact OG-OD2 3.39Å; S46-D116 VanDerWaalsContact OG-OD2 3.05Å | ||
| 47 | S | 81.8 | Confident | 86.8 | Confident | 17 Ų | 17 | 80.7 Ų | 80.7 | 12% | 0.119 | 39% | 0.387 | C | S | . | . | trans | -60.7 | 142.6 | 173.8 | 62.6 | 0 | 0 | 0 | 0 | 112.9 | I45 H113 D116 | I45-S47 WeakPolarHBondContact CG2-OG 3.29Å; S47-H113 WeakPolarHBondContact CB-CE1 3.49Å; S47-H113 WeakPolarHBondContact CB-NE2 3.42Å; S47-H113 PolarHBondContact OG-CE1 3.46Å; S47-H113 PolarHBondContact OG-NE2 2.83Å; S47-D116 PolarHBondContact N-OD2 2.87Å | ||
| 48 | K | 79.8 | Confident | 87.6 | Confident | 74 Ų | 74 | 77.8 Ų | 77.8 | 32% | 0.322 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -86.6 | -32.5 | 177.6 | -172.8 | -178.7 | -176.5 | -168.8 | 0 | 112.4 | K57 E61 D109 | K48-K57 PolarHBondContact O-NZ 3.44Å; K48-E61 WeakPolarHBondContact CE-OE1 3.28Å; K48-E61 IonicContact NZ-OE1 3.44Å; K48-E61 PolarHBondContact NZ-OE1 3.45Å; K48-E61 IonicContact NZ-OE2 2.65Å; K48-E61 PolarHBondContact NZ-OE2 2.87Å; K48-D109 PolarHBondContact N-OD1 3.27Å |
| 49 | Y | 85.2 | Confident | 88.1 | Confident | 11 Ų | 11 | 69.1 Ų | 69.1 | 4% | 0.043 | 35% | 0.345 | C | S | . | . | trans | -112.4 | 151.7 | -177.3 | -49.2 | -72 | 0 | 0 | 0 | 110.8 | N53 F54 K57 N58 E61 Q105 D109 H113 | Y49-N53 WeakPolarHBondContact CA-OD1 3.49Å; Y49-F54 HydrophobicContact CD1-CD2 4.32Å; Y49-F54 AromaticContact CD2-CD2 3.88Å; Y49-F54 HydrophobicContact CD2-CD2 3.88Å; Y49-F54 HydrophobicContact CD2-CE2 4.11Å; Y49-F54 HydrophobicContact CE2-CE2 4.41Å; Y49-F54 AromaticContact CG-CD2 3.76Å; Y49-F54 HydrophobicContact CG-CD2 3.76Å; Y49-F54 HydrophobicContact CG-CE2 4.42Å; Y49-K57 HydrophobicContact CD1-CB 4.21Å; Y49-K57 HydrophobicContact CD1-CD 3.95Å; Y49-K57 HydrophobicContact CD1-CG 4.22Å; Y49-K57 HydrophobicContact CE1-CB 4.28Å; Y49-K57 HydrophobicContact CE1-CD 4.13Å; Y49-K57 HydrophobicContact CE1-CG 4.04Å; Y49-N58 HydrophobicContact CE1-CB 4.49Å; Y49-E61 PolarHBondContact OH-OE2 3.25Å; Y49-Q105 PolarHBondContact OH-OE1 3.01Å; Y49-D109 WeakPolarHBondContact CA-OD2 3.48Å; Y49-D109 WeakPolarHBondContact CB-OD2 3.25Å; Y49-D109 HydrophobicContact CD2-CB 3.75Å; Y49-D109 WeakPolarHBondContact CD2-OD2 3.48Å; Y49-D109 HydrophobicContact CE2-CB 4.38Å; Y49-D109 PolarHBondContact N-OD2 3.46Å; Y49-H113 PolarHBondContact O-CE1 3.44Å; Y49-H113 PolarHBondContact O-NE2 3.22Å | ||
| 50 | T | 88.5 | Confident | 88.1 | Confident | 69 Ų | 69 | 73.3 Ų | 73.3 | 42% | 0.423 | 36% | 0.363 | S | S | . | . | trans | -107.3 | 161.8 | 163.4 | 68.5 | 0 | 0 | 0 | 0 | 108 | W52 N53 F54 | T50-W52 PolarHBondContact O-N 3.44Å; T50-W52 VanDerWaalsContact O-N 3.14Å; T50-N53 PolarHBondContact N-OD1 2.98Å; T50-N53 PolarHBondContact O-N 3.15Å; T50-N53 PolarHBondContact O-OD1 2.88Å; T50-N53 PolarHBondContact OG1-N 3.11Å; T50-N53 VanDerWaalsContact OG1-N 3.17Å; T50-N53 PolarHBondContact OG1-ND2 3.01Å; T50-N53 PolarHBondContact OG1-OD1 2.97Å; T50-F54 VanDerWaalsContact O-CB 3.31Å; T50-F54 WeakPolarHBondContact O-CB 3.48Å; T50-F54 PolarHBondContact O-N 2.96Å | ||
| 51 | I | 87.7 | Confident | 87.9 | Confident | 160 Ų | 160 | 73.2 Ų | 73.2 | 82% | 0.821 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -39.6 | 178.5 | -62.4 | 171.2 | 0 | 0 | 0 | 111.3 | ||
| 52 | W | 89.9 | Confident | 87.6 | Confident | 235 Ų | 235 | 68.4 Ų | 68.4 | 89% | 0.89 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -41.8 | -179.2 | -67.7 | 107.4 | 0 | 0 | 0 | 114.1 | T50 F54 | T50-W52 PolarHBondContact O-N 3.44Å; T50-W52 VanDerWaalsContact O-N 3.14Å; W52-F54 VanDerWaalsContact C-N 3.34Å |
| 53 | N | 92.3 | Very high | 87.3 | Confident | 53 Ų | 53 | 70.9 Ų | 70.9 | 28% | 0.283 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -4.5 | -176.2 | 78.4 | 16.7 | 0 | 0 | 0 | 113.2 | Y49 T50 P56 K57 | Y49-N53 WeakPolarHBondContact CA-OD1 3.49Å; T50-N53 PolarHBondContact N-OD1 2.98Å; T50-N53 PolarHBondContact O-N 3.15Å; T50-N53 PolarHBondContact O-OD1 2.88Å; T50-N53 PolarHBondContact OG1-N 3.11Å; T50-N53 VanDerWaalsContact OG1-N 3.17Å; T50-N53 PolarHBondContact OG1-ND2 3.01Å; T50-N53 PolarHBondContact OG1-OD1 2.97Å; N53-P56 WeakPolarHBondContact O-CD 3.47Å; N53-K57 WeakPolarHBondContact O-CB 3.48Å; N53-K57 PolarHBondContact O-N 3.3Å |
| 54 | F | 91.4 | Very high | 86.9 | Confident | 49 Ų | 49 | 72.2 Ų | 72.2 | 22% | 0.215 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -54.4 | -61.1 | -177.8 | 177.3 | -103 | 0 | 0 | 0 | 110.8 | Y49 T50 W52 N58 A102 | Y49-F54 HydrophobicContact CD1-CD2 4.32Å; Y49-F54 AromaticContact CD2-CD2 3.88Å; Y49-F54 HydrophobicContact CD2-CD2 3.88Å; Y49-F54 HydrophobicContact CD2-CE2 4.11Å; Y49-F54 HydrophobicContact CE2-CE2 4.41Å; Y49-F54 AromaticContact CG-CD2 3.76Å; Y49-F54 HydrophobicContact CG-CD2 3.76Å; Y49-F54 HydrophobicContact CG-CE2 4.42Å; T50-F54 VanDerWaalsContact O-CB 3.31Å; T50-F54 WeakPolarHBondContact O-CB 3.48Å; T50-F54 PolarHBondContact O-N 2.96Å; W52-F54 VanDerWaalsContact C-N 3.34Å; F54-N58 HydrophobicContact CE2-CB 4.46Å; F54-N58 WeakPolarHBondContact O-CA 3.33Å; F54-N58 WeakPolarHBondContact O-CB 3.29Å; F54-N58 PolarHBondContact O-N 3.48Å; F54-A102 WeakPolarHBondContact CZ-O 3.33Å |
| 55 | V | 91.1 | Very high | 86.6 | Confident | 87 Ų | 87 | 73.3 Ų | 73.3 | 53% | 0.527 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57.3 | -56.7 | -177.5 | 179.7 | 0 | 0 | 0 | 0 | 112.9 | K57 N58 L59 | V55-K57 PolarHBondContact O-N 2.87Å; V55-N58 PolarHBondContact O-N 2.85Å; V55-L59 HydrophobicContact CG1-CD1 3.76Å; V55-L59 HydrophobicContact CG1-CG 4.32Å; V55-L59 WeakPolarHBondContact O-CB 3.47Å; V55-L59 VanDerWaalsContact O-CG 3.29Å; V55-L59 WeakPolarHBondContact O-CG 3.43Å; V55-L59 PolarHBondContact O-N 2.83Å |
| 56 | P | 92.6 | Very high | 86.4 | Confident | 80 Ų | 80 | 73.9 Ų | 73.9 | 52% | 0.519 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.3 | -39 | -175.7 | 23.9 | -34 | 0 | 0 | 0 | 113 | N53 F60 | N53-P56 WeakPolarHBondContact O-CD 3.47Å; P56-F60 VanDerWaalsContact O-CB 3.28Å; P56-F60 WeakPolarHBondContact O-CB 2.97Å; P56-F60 PolarHBondContact O-N 2.92Å; P56-F60 VanDerWaalsContact O-N 3.11Å |
| 57 | K | 88.6 | Confident | 86.5 | Confident | 74 Ų | 74 | 72.7 Ų | 72.7 | 32% | 0.322 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -73.4 | -40.8 | 179.6 | -168.3 | 175.1 | 174.7 | -175.9 | 0 | 111.4 | K48 Y49 N53 V55 F60 E61 | K48-K57 PolarHBondContact O-NZ 3.44Å; Y49-K57 HydrophobicContact CD1-CB 4.21Å; Y49-K57 HydrophobicContact CD1-CD 3.95Å; Y49-K57 HydrophobicContact CD1-CG 4.22Å; Y49-K57 HydrophobicContact CE1-CB 4.28Å; Y49-K57 HydrophobicContact CE1-CD 4.13Å; Y49-K57 HydrophobicContact CE1-CG 4.04Å; N53-K57 WeakPolarHBondContact O-CB 3.48Å; N53-K57 PolarHBondContact O-N 3.3Å; V55-K57 PolarHBondContact O-N 2.87Å; K57-F60 PolarHBondContact O-N 2.7Å; K57-E61 WeakPolarHBondContact O-CB 3.36Å; K57-E61 VanDerWaalsContact O-CG 3.26Å; K57-E61 WeakPolarHBondContact O-CG 3.45Å; K57-E61 PolarHBondContact O-N 3.44Å |
| 58 | N | 88.8 | Confident | 86.7 | Confident | 3 Ų | 3 | 72.1 Ų | 72.1 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.6 | -49.7 | 177.8 | -173.5 | -91.5 | 0 | 0 | 0 | 111.1 | Y49 F54 V55 F60 E61 Q62 A102 Q105 | Y49-N58 HydrophobicContact CE1-CB 4.49Å; F54-N58 HydrophobicContact CE2-CB 4.46Å; F54-N58 WeakPolarHBondContact O-CA 3.33Å; F54-N58 WeakPolarHBondContact O-CB 3.29Å; F54-N58 PolarHBondContact O-N 3.48Å; V55-N58 PolarHBondContact O-N 2.85Å; N58-F60 PolarHBondContact O-N 3.02Å; N58-E61 PolarHBondContact O-N 3.15Å; N58-Q62 WeakPolarHBondContact O-CG 2.98Å; N58-Q62 PolarHBondContact O-N 2.9Å; N58-Q62 PolarHBondContact OD1-NE2 3.46Å; N58-A102 WeakPolarHBondContact OD1-CB 3.4Å; N58-Q105 PolarHBondContact ND2-OE1 2.87Å |
| 59 | L | 89.4 | Confident | 87.1 | Confident | 64 Ų | 64 | 74 Ų | 74 | 34% | 0.335 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.6 | -45.3 | 176.6 | -70.9 | 176.8 | 0 | 0 | 0 | 111.7 | V55 E61 Q62 F63 I98 | V55-L59 HydrophobicContact CG1-CD1 3.76Å; V55-L59 HydrophobicContact CG1-CG 4.32Å; V55-L59 WeakPolarHBondContact O-CB 3.47Å; V55-L59 VanDerWaalsContact O-CG 3.29Å; V55-L59 WeakPolarHBondContact O-CG 3.43Å; V55-L59 PolarHBondContact O-N 2.83Å; L59-E61 VanDerWaalsContact C-N 3.31Å; L59-E61 PolarHBondContact O-N 3.39Å; L59-Q62 PolarHBondContact O-N 2.87Å; L59-F63 HydrophobicContact CB-CD2 4.43Å; L59-F63 HydrophobicContact CD2-CE2 4.23Å; L59-F63 VanDerWaalsContact O-CD2 3.24Å; L59-F63 WeakPolarHBondContact O-CD2 3.27Å; L59-F63 PolarHBondContact O-N 3.11Å; L59-I98 HydrophobicContact CD2-CG2 3.51Å |
| 60 | F | 88.6 | Confident | 87.2 | Confident | 147 Ų | 147 | 74.7 Ų | 74.7 | 65% | 0.645 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -58.6 | -43.3 | 176.5 | 179.5 | -99.4 | 0 | 0 | 0 | 112.1 | P56 K57 N58 R64 | P56-F60 VanDerWaalsContact O-CB 3.28Å; P56-F60 WeakPolarHBondContact O-CB 2.97Å; P56-F60 PolarHBondContact O-N 2.92Å; P56-F60 VanDerWaalsContact O-N 3.11Å; K57-F60 PolarHBondContact O-N 2.7Å; N58-F60 PolarHBondContact O-N 3.02Å; F60-R64 WeakPolarHBondContact O-CB 3.47Å; F60-R64 PolarHBondContact O-N 2.85Å |
| 61 | E | 83.3 | Confident | 87.2 | Confident | 33 Ų | 33 | 71.7 Ų | 71.7 | 15% | 0.154 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.6 | -36.9 | 178.1 | -73.6 | 180 | -172 | 0 | 0 | 113.1 | K48 Y49 K57 N58 L59 | K48-E61 WeakPolarHBondContact CE-OE1 3.28Å; K48-E61 IonicContact NZ-OE1 3.44Å; K48-E61 PolarHBondContact NZ-OE1 3.45Å; K48-E61 IonicContact NZ-OE2 2.65Å; K48-E61 PolarHBondContact NZ-OE2 2.87Å; Y49-E61 PolarHBondContact OH-OE2 3.25Å; K57-E61 WeakPolarHBondContact O-CB 3.36Å; K57-E61 VanDerWaalsContact O-CG 3.26Å; K57-E61 WeakPolarHBondContact O-CG 3.45Å; K57-E61 PolarHBondContact O-N 3.44Å; N58-E61 PolarHBondContact O-N 3.15Å; L59-E61 VanDerWaalsContact C-N 3.31Å; L59-E61 PolarHBondContact O-N 3.39Å |
| 62 | Q | 85.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.8 | -43.5 | 176 | -70.1 | -161.4 | 44.5 | 0 | 0 | 112.1 | N58 L59 R64 R65 N68 I98 T101 | N58-Q62 WeakPolarHBondContact O-CG 2.98Å; N58-Q62 PolarHBondContact O-N 2.9Å; N58-Q62 PolarHBondContact OD1-NE2 3.46Å; L59-Q62 PolarHBondContact O-N 2.87Å; Q62-R64 VanDerWaalsContact C-N 3.29Å; Q62-R64 PolarHBondContact O-N 3.2Å; Q62-R65 VanDerWaalsContact O-CB 3.32Å; Q62-R65 WeakPolarHBondContact O-CB 3.11Å; Q62-R65 WeakPolarHBondContact O-CG 3.5Å; Q62-R65 PolarHBondContact O-N 2.72Å; Q62-N68 WeakPolarHBondContact O-CB 3.27Å; Q62-N68 PolarHBondContact O-ND2 2.98Å; Q62-I98 HydrophobicContact CB-CD1 4.07Å; Q62-I98 PolarHBondContact NE2-O 2.8Å; Q62-I98 VanDerWaalsContact NE2-O 3.1Å; Q62-I98 PolarHBondContact OE1-O 2.75Å; Q62-T101 HydrophobicContact CG-CG2 4.21Å |
| 63 | F | 87.8 | Confident | 87.4 | Confident | 51 Ų | 51 | 58.6 Ų | 58.6 | 22% | 0.224 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -77.5 | -11 | 178.5 | -73.8 | -61.7 | 0 | 0 | 0 | 114 | L59 R65 N68 L72 I98 | L59-F63 HydrophobicContact CB-CD2 4.43Å; L59-F63 HydrophobicContact CD2-CE2 4.23Å; L59-F63 VanDerWaalsContact O-CD2 3.24Å; L59-F63 WeakPolarHBondContact O-CD2 3.27Å; L59-F63 PolarHBondContact O-N 3.11Å; F63-R65 PolarHBondContact O-N 3.45Å; F63-N68 HydrophobicContact CD1-CB 4.03Å; F63-N68 HydrophobicContact CE1-CB 4.43Å; F63-L72 HydrophobicContact CD1-CB 4.21Å; F63-L72 HydrophobicContact CD1-CD2 3.96Å; F63-L72 HydrophobicContact CE1-CB 3.87Å; F63-L72 HydrophobicContact CE1-CD1 4.35Å; F63-L72 HydrophobicContact CE1-CD2 3.96Å; F63-L72 HydrophobicContact CE1-CG 4.29Å; F63-L72 HydrophobicContact CG-CD2 4.38Å; F63-L72 HydrophobicContact CZ-CD1 4.41Å; F63-L72 HydrophobicContact CZ-CD2 4.36Å; F63-I98 HydrophobicContact CE1-CD1 4.27Å; F63-I98 HydrophobicContact CZ-CD1 4.2Å; F63-I98 HydrophobicContact CZ-CG1 4.3Å |
| 64 | R | 84.4 | Confident | 87.3 | Confident | 153 Ų | 153 | 56.1 Ų | 56.1 | 58% | 0.577 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -13.7 | 166.6 | -164.8 | 176.2 | 64.1 | 155.4 | -0.9 | 112.4 | F60 Q62 | F60-R64 WeakPolarHBondContact O-CB 3.47Å; F60-R64 PolarHBondContact O-N 2.85Å; Q62-R64 VanDerWaalsContact C-N 3.29Å; Q62-R64 PolarHBondContact O-N 3.2Å |
| 65 | R | 79.3 | Confident | 87.3 | Confident | 50 Ų | 50 | 56.6 Ų | 56.6 | 19% | 0.189 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -78.9 | 131.2 | 173.4 | -60.7 | 177.6 | 175.9 | 179.4 | -5.5 | 109.8 | Q62 F63 A67 N68 F69 E362 | Q62-R65 VanDerWaalsContact O-CB 3.32Å; Q62-R65 WeakPolarHBondContact O-CB 3.11Å; Q62-R65 WeakPolarHBondContact O-CG 3.5Å; Q62-R65 PolarHBondContact O-N 2.72Å; F63-R65 PolarHBondContact O-N 3.45Å; R65-A67 VanDerWaalsContact C-N 3.3Å; R65-A67 PolarHBondContact O-N 3.49Å; R65-N68 HydrophobicContact CB-CB 4.44Å; R65-N68 PolarHBondContact O-N 2.84Å; R65-F69 PolarHBondContact O-N 3.43Å; R65-E362 IonicContact CZ-OE1 3.24Å; R65-E362 IonicContact NH1-OE1 2.6Å; R65-E362 PolarHBondContact NH1-OE1 3.46Å; R65-E362 IonicContact NH2-OE1 2.71Å; R65-E362 PolarHBondContact NH2-OE1 3.47Å |
| 66 | I | 80.8 | Confident | 87.4 | Confident | 112 Ų | 112 | 56.6 Ų | 56.6 | 57% | 0.574 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -53.9 | -44.8 | -173.8 | -61.7 | 170.5 | 0 | 0 | 0 | 111.7 | F69 Y70 | I66-F69 PolarHBondContact O-N 2.98Å; I66-Y70 WeakPolarHBondContact O-CB 3.47Å; I66-Y70 PolarHBondContact O-N 3.06Å |
| 67 | A | 80.2 | Confident | 87.3 | Confident | 5 Ų | 5 | 53.9 Ų | 53.9 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.9 | -46.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R65 F69 Y70 F71 Y358 | R65-A67 VanDerWaalsContact C-N 3.3Å; R65-A67 PolarHBondContact O-N 3.49Å; A67-F69 VanDerWaalsContact C-N 3.26Å; A67-F69 PolarHBondContact O-N 2.89Å; A67-Y70 WeakPolarHBondContact O-CB 3.4Å; A67-Y70 PolarHBondContact O-N 3.18Å; A67-Y70 VanDerWaalsContact O-N 3.16Å; A67-F71 HydrophobicContact CB-CE2 4.28Å; A67-F71 WeakPolarHBondContact O-CD2 3.21Å; A67-F71 PolarHBondContact O-N 3.08Å; A67-Y358 HydrophobicContact CB-CD2 3.88Å; A67-Y358 HydrophobicContact CB-CE2 3.17Å |
| 68 | N | 85.4 | Confident | 87.4 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.027 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62 | -38.1 | 177.9 | -71.5 | -9.9 | 0 | 0 | 0 | 111.3 | Q62 F63 R65 L72 I98 | Q62-N68 WeakPolarHBondContact O-CB 3.27Å; Q62-N68 PolarHBondContact O-ND2 2.98Å; F63-N68 HydrophobicContact CD1-CB 4.03Å; F63-N68 HydrophobicContact CE1-CB 4.43Å; R65-N68 HydrophobicContact CB-CB 4.44Å; R65-N68 PolarHBondContact O-N 2.84Å; N68-L72 WeakPolarHBondContact O-CB 3.41Å; N68-L72 PolarHBondContact O-N 3.05Å; N68-I98 HydrophobicContact CB-CD1 4.49Å |
| 69 | F | 88.1 | Confident | 87.5 | Confident | 112 Ų | 112 | 55.3 Ų | 55.3 | 49% | 0.491 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.6 | -42.9 | 174.1 | -174.1 | -114 | 0 | 0 | 0 | 112.3 | R65 I66 A67 L72 I73 | R65-F69 PolarHBondContact O-N 3.43Å; I66-F69 PolarHBondContact O-N 2.98Å; A67-F69 VanDerWaalsContact C-N 3.26Å; A67-F69 PolarHBondContact O-N 2.89Å; F69-L72 WeakPolarHBondContact O-CB 3.3Å; F69-L72 PolarHBondContact O-N 2.74Å; F69-I73 HydrophobicContact CD1-CD1 3.87Å; F69-I73 HydrophobicContact CE1-CD1 3.47Å; F69-I73 VanDerWaalsContact CE1-CD1 3.47Å; F69-I73 HydrophobicContact CE1-CG1 4.36Å; F69-I73 HydrophobicContact CZ-CD1 3.85Å; F69-I73 HydrophobicContact CZ-CG1 4.35Å; F69-I73 WeakPolarHBondContact O-CG1 3.48Å; F69-I73 PolarHBondContact O-N 2.79Å |
| 70 | Y | 88.3 | Confident | 87.4 | Confident | 27 Ų | 27 | 60.1 Ų | 60.1 | 11% | 0.106 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.9 | -48.4 | 174.6 | 165 | -97.4 | 0 | 0 | 0 | 111.9 | I66 A67 L72 I73 I74 L294 L297 I353 | I66-Y70 WeakPolarHBondContact O-CB 3.47Å; I66-Y70 PolarHBondContact O-N 3.06Å; A67-Y70 WeakPolarHBondContact O-CB 3.4Å; A67-Y70 PolarHBondContact O-N 3.18Å; A67-Y70 VanDerWaalsContact O-N 3.16Å; Y70-L72 VanDerWaalsContact C-N 3.3Å; Y70-L72 PolarHBondContact O-N 2.84Å; Y70-I73 WeakPolarHBondContact O-CB 3.48Å; Y70-I73 PolarHBondContact O-N 2.68Å; Y70-I73 VanDerWaalsContact O-N 3.12Å; Y70-I74 HydrophobicContact CD1-CG1 4.5Å; Y70-I74 HydrophobicContact CD2-CG1 4.31Å; Y70-I74 HydrophobicContact CE1-CG1 3.98Å; Y70-I74 HydrophobicContact CE2-CD1 3.96Å; Y70-I74 HydrophobicContact CE2-CG1 3.78Å; Y70-I74 WeakPolarHBondContact O-CG1 3.42Å; Y70-I74 PolarHBondContact O-N 3.32Å; Y70-L294 HydrophobicContact CD2-CD1 4.05Å; Y70-L294 HydrophobicContact CE2-CD1 3.84Å; Y70-L297 HydrophobicContact CE2-CD2 4.19Å; Y70-L297 WeakPolarHBondContact OH-CD2 3.44Å; Y70-I353 HydrophobicContact CD1-CD1 4.22Å; Y70-I353 HydrophobicContact CE1-CB 4.1Å; Y70-I353 HydrophobicContact CE1-CD1 3.76Å; Y70-I353 HydrophobicContact CE1-CG1 4.3Å; Y70-I353 HydrophobicContact CE1-CG2 4.39Å; Y70-I353 HydrophobicContact CE2-CD1 4.26Å |
| 71 | F | 88.4 | Confident | 87.3 | Confident | 5 Ų | 5 | 55 Ų | 55 | 2% | 0.022 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.2 | -30.9 | 178.8 | -65.9 | -56.5 | 0 | 0 | 0 | 113.2 | A67 I74 F75 L94 I353 I355 | A67-F71 HydrophobicContact CB-CE2 4.28Å; A67-F71 WeakPolarHBondContact O-CD2 3.21Å; A67-F71 PolarHBondContact O-N 3.08Å; F71-I74 PolarHBondContact O-N 3.13Å; F71-F75 WeakPolarHBondContact O-CB 3.46Å; F71-F75 PolarHBondContact O-N 2.93Å; F71-L94 HydrophobicContact CB-CD1 4.03Å; F71-L94 HydrophobicContact CB-CD2 4.33Å; F71-I353 HydrophobicContact CE1-CB 4.36Å; F71-I353 HydrophobicContact CE1-CG2 4.37Å; F71-I353 HydrophobicContact CE2-CG2 4.43Å; F71-I353 HydrophobicContact CZ-CB 4.09Å; F71-I353 HydrophobicContact CZ-CG2 3.67Å; F71-I353 WeakPolarHBondContact CZ-O 3.26Å; F71-I355 HydrophobicContact CD1-CD1 3.8Å; F71-I355 HydrophobicContact CD1-CG1 3.38Å; F71-I355 HydrophobicContact CD2-CB 4.43Å; F71-I355 HydrophobicContact CD2-CG1 3.88Å; F71-I355 HydrophobicContact CD2-CG2 4.37Å; F71-I355 HydrophobicContact CE1-CB 4.27Å; F71-I355 HydrophobicContact CE1-CD1 3.83Å; F71-I355 HydrophobicContact CE1-CG1 3.06Å; F71-I355 HydrophobicContact CE2-CB 4.04Å; F71-I355 HydrophobicContact CE2-CG1 3.61Å; F71-I355 HydrophobicContact CE2-CG2 4.38Å; F71-I355 HydrophobicContact CG-CD1 4.36Å; F71-I355 HydrophobicContact CG-CG1 3.79Å; F71-I355 HydrophobicContact CZ-CB 3.95Å; F71-I355 HydrophobicContact CZ-CD1 4.4Å; F71-I355 HydrophobicContact CZ-CG1 3.19Å |
| 72 | L | 90.4 | Very high | 87.3 | Confident | 47 Ų | 47 | 60.9 Ų | 60.9 | 25% | 0.246 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 170.7 | -178.8 | 63.8 | 0 | 0 | 0 | 111.3 | F63 N68 F69 Y70 F75 L76 | F63-L72 HydrophobicContact CD1-CB 4.21Å; F63-L72 HydrophobicContact CD1-CD2 3.96Å; F63-L72 HydrophobicContact CE1-CB 3.87Å; F63-L72 HydrophobicContact CE1-CD1 4.35Å; F63-L72 HydrophobicContact CE1-CD2 3.96Å; F63-L72 HydrophobicContact CE1-CG 4.29Å; F63-L72 HydrophobicContact CG-CD2 4.38Å; F63-L72 HydrophobicContact CZ-CD1 4.41Å; F63-L72 HydrophobicContact CZ-CD2 4.36Å; N68-L72 WeakPolarHBondContact O-CB 3.41Å; N68-L72 PolarHBondContact O-N 3.05Å; F69-L72 WeakPolarHBondContact O-CB 3.3Å; F69-L72 PolarHBondContact O-N 2.74Å; Y70-L72 VanDerWaalsContact C-N 3.3Å; Y70-L72 PolarHBondContact O-N 2.84Å; L72-F75 PolarHBondContact O-N 3.01Å; L72-L76 HydrophobicContact CG-CD1 4.31Å; L72-L76 VanDerWaalsContact O-CG 3.3Å; L72-L76 WeakPolarHBondContact O-CG 3.31Å; L72-L76 PolarHBondContact O-N 3.2Å |
| 73 | I | 91.1 | Very high | 87.3 | Confident | 73 Ų | 73 | 62 Ų | 62 | 37% | 0.374 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 175.9 | -69.2 | 168 | 0 | 0 | 0 | 110.4 | F69 Y70 F75 L76 V77 | F69-I73 HydrophobicContact CD1-CD1 3.87Å; F69-I73 HydrophobicContact CE1-CD1 3.47Å; F69-I73 VanDerWaalsContact CE1-CD1 3.47Å; F69-I73 HydrophobicContact CE1-CG1 4.36Å; F69-I73 HydrophobicContact CZ-CD1 3.85Å; F69-I73 HydrophobicContact CZ-CG1 4.35Å; F69-I73 WeakPolarHBondContact O-CG1 3.48Å; F69-I73 PolarHBondContact O-N 2.79Å; Y70-I73 WeakPolarHBondContact O-CB 3.48Å; Y70-I73 PolarHBondContact O-N 2.68Å; Y70-I73 VanDerWaalsContact O-N 3.12Å; I73-F75 VanDerWaalsContact C-N 3.31Å; I73-F75 PolarHBondContact O-N 2.93Å; I73-L76 PolarHBondContact O-N 2.9Å; I73-L76 VanDerWaalsContact O-N 3.16Å; I73-V77 HydrophobicContact CG2-CG2 4.27Å; I73-V77 WeakPolarHBondContact O-CG2 3.37Å; I73-V77 PolarHBondContact O-N 2.96Å |
| 74 | I | 90.8 | Very high | 86.9 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.5 | -41.5 | 179.7 | -67.1 | -63.1 | 0 | 0 | 0 | 111.6 | Y70 F71 V77 Q78 L346 N350 | Y70-I74 HydrophobicContact CD1-CG1 4.5Å; Y70-I74 HydrophobicContact CD2-CG1 4.31Å; Y70-I74 HydrophobicContact CE1-CG1 3.98Å; Y70-I74 HydrophobicContact CE2-CD1 3.96Å; Y70-I74 HydrophobicContact CE2-CG1 3.78Å; Y70-I74 WeakPolarHBondContact O-CG1 3.42Å; Y70-I74 PolarHBondContact O-N 3.32Å; F71-I74 PolarHBondContact O-N 3.13Å; I74-V77 PolarHBondContact O-N 3.38Å; I74-Q78 PolarHBondContact O-N 2.94Å; I74-L346 HydrophobicContact CD1-CD2 3.94Å; I74-L346 HydrophobicContact CD1-CG 3.99Å; I74-N350 HydrophobicContact CG2-CB 4.05Å; I74-N350 WeakPolarHBondContact CG2-ND2 3.46Å |
| 75 | F | 91.3 | Very high | 86.9 | Confident | 59 Ų | 59 | 55 Ų | 55 | 26% | 0.259 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 175 | 176.8 | -117.5 | 0 | 0 | 0 | 112.1 | F71 L72 I73 Q78 L79 P87 | F71-F75 WeakPolarHBondContact O-CB 3.46Å; F71-F75 PolarHBondContact O-N 2.93Å; L72-F75 PolarHBondContact O-N 3.01Å; I73-F75 VanDerWaalsContact C-N 3.31Å; I73-F75 PolarHBondContact O-N 2.93Å; F75-Q78 PolarHBondContact O-N 2.9Å; F75-L79 HydrophobicContact CD1-CD1 4.26Å; F75-L79 HydrophobicContact CE1-CD1 3.73Å; F75-L79 HydrophobicContact CE2-CD1 4.22Å; F75-L79 HydrophobicContact CE2-CD2 4.43Å; F75-L79 HydrophobicContact CE2-CG 4.28Å; F75-L79 HydrophobicContact CZ-CD1 3.71Å; F75-L79 HydrophobicContact CZ-CD2 4.45Å; F75-L79 HydrophobicContact CZ-CG 4.26Å; F75-L79 WeakPolarHBondContact O-CG 3.44Å; F75-L79 PolarHBondContact O-N 3.1Å; F75-L79 VanDerWaalsContact O-N 3.16Å; F75-P87 HydrophobicContact CE2-CB 4.38Å |
| 76 | L | 91.7 | Very high | 87.1 | Confident | 87 Ų | 87 | 55.2 Ų | 55.2 | 46% | 0.455 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.7 | -39.5 | 175.5 | -69 | 173 | 0 | 0 | 0 | 112.1 | L72 I73 L79 M80 | L72-L76 HydrophobicContact CG-CD1 4.31Å; L72-L76 VanDerWaalsContact O-CG 3.3Å; L72-L76 WeakPolarHBondContact O-CG 3.31Å; L72-L76 PolarHBondContact O-N 3.2Å; I73-L76 PolarHBondContact O-N 2.9Å; I73-L76 VanDerWaalsContact O-N 3.16Å; L76-L79 PolarHBondContact O-N 2.7Å; L76-L79 VanDerWaalsContact O-N 3.17Å; L76-M80 WeakPolarHBondContact O-CG 3.12Å; L76-M80 PolarHBondContact O-N 2.77Å; L76-M80 VanDerWaalsContact O-N 3.08Å |
| 77 | V | 91.3 | Very high | 87.4 | Confident | 23 Ų | 23 | 51.9 Ų | 51.9 | 14% | 0.139 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 175.5 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | I73 I74 L79 M80 I81 L343 V347 | I73-V77 HydrophobicContact CG2-CG2 4.27Å; I73-V77 WeakPolarHBondContact O-CG2 3.37Å; I73-V77 PolarHBondContact O-N 2.96Å; I74-V77 PolarHBondContact O-N 3.38Å; V77-L79 PolarHBondContact O-N 2.69Å; V77-M80 PolarHBondContact O-N 3.49Å; V77-M80 VanDerWaalsContact O-N 3.16Å; V77-I81 HydrophobicContact CG1-CD1 4.3Å; V77-I81 PolarHBondContact O-N 2.78Å; V77-I81 VanDerWaalsContact O-N 3.09Å; V77-L343 HydrophobicContact CG1-CB 4.06Å; V77-L343 HydrophobicContact CG1-CD2 4.36Å; V77-V347 HydrophobicContact CG1-CG2 3.9Å |
| 78 | Q | 90.7 | Very high | 87.7 | Confident | 6 Ų | 6 | 55.9 Ų | 55.9 | 3% | 0.028 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62 | -28.2 | 175.2 | -79.5 | -176.5 | -30.2 | 0 | 0 | 113.5 | I74 F75 T85 P87 S90 V347 | I74-Q78 PolarHBondContact O-N 2.94Å; F75-Q78 PolarHBondContact O-N 2.9Å; Q78-T85 PolarHBondContact NE2-OG1 3.4Å; Q78-T85 VanDerWaalsContact NE2-OG1 3.08Å; Q78-P87 HydrophobicContact CB-CB 4.24Å; Q78-P87 HydrophobicContact CB-CG 4.3Å; Q78-S90 PolarHBondContact NE2-OG 3.49Å; Q78-S90 PolarHBondContact OE1-OG 3.38Å; Q78-V347 HydrophobicContact CG-CB 4.45Å; Q78-V347 HydrophobicContact CG-CG1 3.59Å; Q78-V347 HydrophobicContact CG-CG2 3.94Å |
| 79 | L | 90.8 | Very high | 87.5 | Confident | 102 Ų | 102 | 55.8 Ų | 55.8 | 53% | 0.534 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -81.6 | -24.9 | 176 | -69.2 | 175.9 | 0 | 0 | 0 | 113.3 | F75 L76 V77 P87 | F75-L79 HydrophobicContact CD1-CD1 4.26Å; F75-L79 HydrophobicContact CE1-CD1 3.73Å; F75-L79 HydrophobicContact CE2-CD1 4.22Å; F75-L79 HydrophobicContact CE2-CD2 4.43Å; F75-L79 HydrophobicContact CE2-CG 4.28Å; F75-L79 HydrophobicContact CZ-CD1 3.71Å; F75-L79 HydrophobicContact CZ-CD2 4.45Å; F75-L79 HydrophobicContact CZ-CG 4.26Å; F75-L79 WeakPolarHBondContact O-CG 3.44Å; F75-L79 PolarHBondContact O-N 3.1Å; F75-L79 VanDerWaalsContact O-N 3.16Å; L76-L79 PolarHBondContact O-N 2.7Å; L76-L79 VanDerWaalsContact O-N 3.17Å; V77-L79 PolarHBondContact O-N 2.69Å; L79-P87 HydrophobicContact CD2-CB 3.89Å; L79-P87 HydrophobicContact CD2-CG 4.16Å |
| 80 | M | 88 | Confident | 87.3 | Confident | 165 Ų | 165 | 50.6 Ų | 50.6 | 81% | 0.813 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -92.1 | -25.5 | -175.7 | -72.4 | -173.7 | 73.1 | 0 | 0 | 113.6 | L76 V77 | L76-M80 WeakPolarHBondContact O-CG 3.12Å; L76-M80 PolarHBondContact O-N 2.77Å; L76-M80 VanDerWaalsContact O-N 3.08Å; V77-M80 PolarHBondContact O-N 3.49Å; V77-M80 VanDerWaalsContact O-N 3.16Å |
| 81 | I | 86.8 | Confident | 87.2 | Confident | 39 Ų | 39 | 49.9 Ų | 49.9 | 20% | 0.2 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -127.6 | 145.1 | -171.6 | -56.4 | 178.2 | 0 | 0 | 0 | 109.6 | V77 T83 S340 L343 | V77-I81 HydrophobicContact CG1-CD1 4.3Å; V77-I81 PolarHBondContact O-N 2.78Å; V77-I81 VanDerWaalsContact O-N 3.09Å; I81-T83 HydrophobicContact CB-CG2 4.3Å; I81-T83 HydrophobicContact CG2-CG2 4.4Å; I81-T83 PolarHBondContact O-N 2.85Å; I81-S340 VanDerWaalsContact CG2-OG 3.28Å; I81-S340 WeakPolarHBondContact CG2-OG 3.32Å; I81-L343 HydrophobicContact CD1-CB 3.91Å; I81-L343 HydrophobicContact CD1-CD1 3.28Å; I81-L343 HydrophobicContact CD1-CG 4.23Å |
| 82 | D | 81.6 | Confident | 87 | Confident | 156 Ų | 156 | 54.4 Ų | 54.4 | 83% | 0.834 | 30% | 0.299 | S | S | * | . | trans | -65.9 | 102.4 | 169 | -66.9 | -37.3 | 0 | 0 | 0 | 109.4 | ||||
| 83 | T | 85.5 | Confident | 86.6 | Confident | 25 Ų | 25 | 52.6 Ų | 52.6 | 15% | 0.153 | 29% | 0.29 | C | S | . | . | trans | -110.5 | 152.4 | -175.9 | 49.7 | 0 | 0 | 0 | 0 | 110.5 | I81 T85 V347 | I81-T83 HydrophobicContact CB-CG2 4.3Å; I81-T83 HydrophobicContact CG2-CG2 4.4Å; I81-T83 PolarHBondContact O-N 2.85Å; T83-T85 PolarHBondContact O-N 3.29Å; T83-T85 PolarHBondContact OG1-O 3.07Å; T83-V347 HydrophobicContact CG2-CB 4.27Å; T83-V347 HydrophobicContact CG2-CG1 4.27Å; T83-V347 HydrophobicContact CG2-CG2 4.05Å | ||
| 84 | P | 79.6 | Confident | 86.3 | Confident | 49 Ų | 49 | 49.6 Ų | 49.6 | 32% | 0.318 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -68.7 | -7.9 | -175.5 | 27.9 | -37.2 | 0 | 0 | 0 | 113.9 | L348 Q879 T881 | P84-L348 HydrophobicContact CG-CB 4.48Å; P84-L348 HydrophobicContact CG-CD1 4.01Å; P84-Q879 WeakPolarHBondContact CB-O 3.37Å; P84-Q879 HydrophobicContact CG-CB 4.37Å; P84-T881 HydrophobicContact CB-CG2 4.35Å |
| 85 | T | 84.6 | Confident | 86.2 | Confident | 8 Ų | 8 | 55.2 Ų | 55.2 | 5% | 0.049 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -124.4 | 141 | -179.8 | 53.4 | 0 | 0 | 0 | 0 | 109.8 | Q78 T83 V347 T881 L888 | Q78-T85 PolarHBondContact NE2-OG1 3.4Å; Q78-T85 VanDerWaalsContact NE2-OG1 3.08Å; T83-T85 PolarHBondContact O-N 3.29Å; T83-T85 PolarHBondContact OG1-O 3.07Å; T85-V347 WeakPolarHBondContact OG1-CG1 3.06Å; T85-T881 HydrophobicContact CG2-CG2 3.87Å; T85-L888 HydrophobicContact CG2-CD1 3.77Å |
| 86 | S | 85.1 | Confident | 85.9 | Confident | 54 Ų | 54 | 57.4 Ų | 57.4 | 38% | 0.378 | 31% | 0.314 | S | S | . | . | trans | -61.1 | 141.6 | 178.3 | 175.5 | 0 | 0 | 0 | 0 | 111.3 | V88 T89 | S86-V88 PolarHBondContact O-N 2.83Å; S86-V88 PolarHBondContact OG-N 3.04Å; S86-T89 WeakPolarHBondContact O-CB 3.46Å; S86-T89 WeakPolarHBondContact O-CG2 3.12Å; S86-T89 PolarHBondContact O-N 2.83Å; S86-T89 PolarHBondContact O-OG1 3.13Å | ||
| 87 | P | 86.6 | Confident | 85.4 | Confident | 41 Ų | 41 | 53.5 Ų | 53.5 | 27% | 0.266 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -24.7 | 174.8 | -25.8 | 33.7 | 0 | 0 | 0 | 114.3 | F75 Q78 L79 T89 S90 G91 | F75-P87 HydrophobicContact CE2-CB 4.38Å; Q78-P87 HydrophobicContact CB-CB 4.24Å; Q78-P87 HydrophobicContact CB-CG 4.3Å; L79-P87 HydrophobicContact CD2-CB 3.89Å; L79-P87 HydrophobicContact CD2-CG 4.16Å; P87-T89 PolarHBondContact O-N 2.87Å; P87-S90 PolarHBondContact O-N 2.9Å; P87-G91 PolarHBondContact O-N 3.1Å |
| 88 | V | 85 | Confident | 85.2 | Confident | 90 Ų | 90 | 53.1 Ų | 53.1 | 55% | 0.545 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.9 | -32.1 | 174.5 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | S86 S90 L92 | S86-V88 PolarHBondContact O-N 2.83Å; S86-V88 PolarHBondContact OG-N 3.04Å; V88-S90 VanDerWaalsContact C-N 3.34Å; V88-S90 PolarHBondContact O-N 2.87Å; V88-L92 HydrophobicContact CG1-CB 4.37Å; V88-L92 WeakPolarHBondContact O-CB 3.42Å; V88-L92 PolarHBondContact O-N 3.44Å; V88-L92 VanDerWaalsContact O-N 3.11Å |
| 89 | T | 83 | Confident | 85.1 | Confident | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.018 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.5 | -29.4 | -174 | 64.6 | 0 | 0 | 0 | 0 | 114.2 | S86 P87 P93 T889 | S86-T89 WeakPolarHBondContact O-CB 3.46Å; S86-T89 WeakPolarHBondContact O-CG2 3.12Å; S86-T89 PolarHBondContact O-N 2.83Å; S86-T89 PolarHBondContact O-OG1 3.13Å; P87-T89 PolarHBondContact O-N 2.87Å; T89-P93 WeakPolarHBondContact O-CD 3.37Å; T89-P93 VanDerWaalsContact O-CG 3.29Å; T89-P93 WeakPolarHBondContact O-CG 3.41Å; T89-T889 VanDerWaalsContact CA-CG2 3.41Å; T89-T889 HydrophobicContact CG2-CG2 3.79Å |
| 90 | S | 82.4 | Confident | 84.8 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.014 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -101.3 | -33.6 | 173.7 | -48.6 | 0 | 0 | 0 | 0 | 112.6 | Q78 P87 V88 L94 N350 | Q78-S90 PolarHBondContact NE2-OG 3.49Å; Q78-S90 PolarHBondContact OE1-OG 3.38Å; P87-S90 PolarHBondContact O-N 2.9Å; V88-S90 VanDerWaalsContact C-N 3.34Å; V88-S90 PolarHBondContact O-N 2.87Å; S90-L94 WeakPolarHBondContact O-CB 3.46Å; S90-L94 PolarHBondContact O-N 2.91Å; S90-N350 PolarHBondContact OG-ND2 2.72Å; S90-N350 VanDerWaalsContact OG-ND2 3.14Å |
| 91 | G | 85.9 | Confident | 84.5 | Confident | 13 Ų | 13 | 45 Ų | 45 | 13% | 0.134 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.3 | -42.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114 | P87 L94 L95 | P87-G91 PolarHBondContact O-N 3.1Å; G91-L94 PolarHBondContact O-N 3.28Å; G91-L95 WeakPolarHBondContact O-CB 3.09Å; G91-L95 PolarHBondContact O-N 3.11Å |
| 92 | L | 84.8 | Confident | 84.6 | Confident | 99 Ų | 99 | 44 Ų | 44 | 52% | 0.518 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.1 | -46.7 | -178.1 | -177.6 | 132.7 | 0 | 0 | 0 | 113 | V88 L94 L95 F96 I893 | V88-L92 HydrophobicContact CG1-CB 4.37Å; V88-L92 WeakPolarHBondContact O-CB 3.42Å; V88-L92 PolarHBondContact O-N 3.44Å; V88-L92 VanDerWaalsContact O-N 3.11Å; L92-L94 VanDerWaalsContact C-N 3.32Å; L92-L94 PolarHBondContact O-N 2.99Å; L92-L95 PolarHBondContact O-N 2.86Å; L92-F96 WeakPolarHBondContact O-CB 3.36Å; L92-F96 PolarHBondContact O-N 3.18Å; L92-I893 HydrophobicContact CD2-CD1 4.31Å |
| 93 | P | 81.8 | Confident | 84.9 | Confident | 9 Ų | 9 | 42.1 Ų | 42.1 | 6% | 0.058 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.1 | -42.8 | 171.6 | -21.6 | 28.3 | 0 | 0 | 0 | 113.3 | T89 F96 V97 I355 I893 | T89-P93 WeakPolarHBondContact O-CD 3.37Å; T89-P93 VanDerWaalsContact O-CG 3.29Å; T89-P93 WeakPolarHBondContact O-CG 3.41Å; P93-F96 PolarHBondContact O-N 2.77Å; P93-V97 WeakPolarHBondContact O-CB 3.43Å; P93-V97 WeakPolarHBondContact O-CG2 3.49Å; P93-V97 PolarHBondContact O-N 3.35Å; P93-I355 HydrophobicContact CB-CB 4.46Å; P93-I355 HydrophobicContact CB-CD1 3.99Å; P93-I355 HydrophobicContact CB-CG2 3.92Å; P93-I355 HydrophobicContact CG-CD1 4.4Å; P93-I893 HydrophobicContact CB-CD1 3.87Å; P93-I893 HydrophobicContact CG-CD1 3.8Å |
| 94 | L | 86.1 | Confident | 84.7 | Confident | 10 Ų | 10 | 42.1 Ų | 42.1 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.1 | -47.1 | 179.5 | 179.5 | 61.2 | 0 | 0 | 0 | 111.5 | F71 S90 G91 L92 F96 V97 I98 | F71-L94 HydrophobicContact CB-CD1 4.03Å; F71-L94 HydrophobicContact CB-CD2 4.33Å; S90-L94 WeakPolarHBondContact O-CB 3.46Å; S90-L94 PolarHBondContact O-N 2.91Å; G91-L94 PolarHBondContact O-N 3.28Å; L92-L94 VanDerWaalsContact C-N 3.32Å; L92-L94 PolarHBondContact O-N 2.99Å; L94-F96 VanDerWaalsContact C-N 3.34Å; L94-F96 PolarHBondContact O-N 2.87Å; L94-V97 WeakPolarHBondContact O-CB 3.4Å; L94-V97 PolarHBondContact O-N 2.85Å; L94-I98 HydrophobicContact CD1-CD1 4.37Å; L94-I98 HydrophobicContact CD1-CG1 4.04Å; L94-I98 HydrophobicContact CG-CG1 4.41Å; L94-I98 VanDerWaalsContact O-CG1 3.29Å; L94-I98 WeakPolarHBondContact O-CG1 3.32Å; L94-I98 PolarHBondContact O-N 2.98Å |
| 95 | L | 88 | Confident | 84.8 | Confident | 120 Ų | 120 | 41.2 Ų | 41.2 | 63% | 0.628 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -61.9 | -42.7 | 178.4 | -178 | 136.3 | 0 | 0 | 0 | 111.8 | G91 L92 V97 I98 T99 | G91-L95 WeakPolarHBondContact O-CB 3.09Å; G91-L95 PolarHBondContact O-N 3.11Å; L92-L95 PolarHBondContact O-N 2.86Å; L95-V97 VanDerWaalsContact C-N 3.32Å; L95-V97 PolarHBondContact O-N 3.19Å; L95-I98 PolarHBondContact O-N 2.91Å; L95-T99 VanDerWaalsContact O-CB 3.28Å; L95-T99 WeakPolarHBondContact O-CB 3.36Å; L95-T99 PolarHBondContact O-N 3.35Å; L95-T99 PolarHBondContact O-OG1 2.85Å |
| 96 | F | 84.1 | Confident | 85 | Confident | 104 Ų | 104 | 41.9 Ų | 41.9 | 46% | 0.456 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.5 | -47.9 | 174.3 | 175.6 | -101.6 | 0 | 0 | 0 | 111 | L92 P93 L94 T99 V100 V359 | L92-F96 WeakPolarHBondContact O-CB 3.36Å; L92-F96 PolarHBondContact O-N 3.18Å; P93-F96 PolarHBondContact O-N 2.77Å; L94-F96 VanDerWaalsContact C-N 3.34Å; L94-F96 PolarHBondContact O-N 2.87Å; F96-T99 PolarHBondContact O-N 3.49Å; F96-V100 HydrophobicContact CD2-CG2 4.31Å; F96-V100 HydrophobicContact CE1-CG2 4.21Å; F96-V100 HydrophobicContact CE2-CG2 3.93Å; F96-V100 HydrophobicContact CZ-CG2 3.88Å; F96-V100 WeakPolarHBondContact O-CG2 3.46Å; F96-V100 PolarHBondContact O-N 2.76Å; F96-V359 HydrophobicContact CE1-CG1 4.38Å |
| 97 | V | 81.8 | Confident | 84.9 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.03 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.4 | -52.4 | 180 | 160.1 | 0 | 0 | 0 | 0 | 112.2 | P93 L94 L95 T99 V100 T101 I355 V359 | P93-V97 WeakPolarHBondContact O-CB 3.43Å; P93-V97 WeakPolarHBondContact O-CG2 3.49Å; P93-V97 PolarHBondContact O-N 3.35Å; L94-V97 WeakPolarHBondContact O-CB 3.4Å; L94-V97 PolarHBondContact O-N 2.85Å; L95-V97 VanDerWaalsContact C-N 3.32Å; L95-V97 PolarHBondContact O-N 3.19Å; V97-T99 VanDerWaalsContact C-N 3.26Å; V97-T99 PolarHBondContact O-N 3.02Å; V97-V100 PolarHBondContact O-N 3.09Å; V97-T101 PolarHBondContact O-N 2.9Å; V97-T101 VanDerWaalsContact O-N 3.12Å; V97-T101 PolarHBondContact O-OG1 2.79Å; V97-I355 HydrophobicContact CG2-CG2 3.89Å; V97-V359 HydrophobicContact CB-CG2 3.64Å; V97-V359 HydrophobicContact CG1-CG2 3.49Å; V97-V359 VanDerWaalsContact CG1-CG2 3.49Å; V97-V359 HydrophobicContact CG2-CB 4.24Å; V97-V359 HydrophobicContact CG2-CG2 3.47Å; V97-V359 VanDerWaalsContact CG2-CG2 3.47Å |
| 98 | I | 87.4 | Confident | 84.5 | Confident | 16 Ų | 16 | 46 Ų | 46 | 8% | 0.082 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.3 | -38.2 | -177.4 | -63.9 | -62.1 | 0 | 0 | 0 | 111.1 | L59 Q62 F63 N68 L94 L95 A102 | L59-I98 HydrophobicContact CD2-CG2 3.51Å; Q62-I98 HydrophobicContact CB-CD1 4.07Å; Q62-I98 PolarHBondContact NE2-O 2.8Å; Q62-I98 VanDerWaalsContact NE2-O 3.1Å; Q62-I98 PolarHBondContact OE1-O 2.75Å; F63-I98 HydrophobicContact CE1-CD1 4.27Å; F63-I98 HydrophobicContact CZ-CD1 4.2Å; F63-I98 HydrophobicContact CZ-CG1 4.3Å; N68-I98 HydrophobicContact CB-CD1 4.49Å; L94-I98 HydrophobicContact CD1-CD1 4.37Å; L94-I98 HydrophobicContact CD1-CG1 4.04Å; L94-I98 HydrophobicContact CG-CG1 4.41Å; L94-I98 VanDerWaalsContact O-CG1 3.29Å; L94-I98 WeakPolarHBondContact O-CG1 3.32Å; L94-I98 PolarHBondContact O-N 2.98Å; L95-I98 PolarHBondContact O-N 2.91Å; I98-A102 VanDerWaalsContact O-CB 3.22Å; I98-A102 WeakPolarHBondContact O-CB 3.49Å; I98-A102 PolarHBondContact O-N 2.79Å |
| 99 | T | 88.8 | Confident | 84.5 | Confident | 65 Ų | 65 | 42 Ų | 42 | 40% | 0.399 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.8 | -47.2 | 179.9 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | L95 F96 V97 T101 A102 I103 | L95-T99 VanDerWaalsContact O-CB 3.28Å; L95-T99 WeakPolarHBondContact O-CB 3.36Å; L95-T99 PolarHBondContact O-N 3.35Å; L95-T99 PolarHBondContact O-OG1 2.85Å; F96-T99 PolarHBondContact O-N 3.49Å; V97-T99 VanDerWaalsContact C-N 3.26Å; V97-T99 PolarHBondContact O-N 3.02Å; T99-T101 PolarHBondContact O-N 2.77Å; T99-A102 PolarHBondContact O-N 2.96Å; T99-I103 HydrophobicContact CG2-CD1 3.98Å; T99-I103 WeakPolarHBondContact O-CG1 3.4Å; T99-I103 PolarHBondContact O-N 2.93Å |
| 100 | V | 83.9 | Confident | 84.6 | Confident | 36 Ų | 36 | 48.5 Ų | 48.5 | 22% | 0.218 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.1 | -45.9 | 179.3 | 172 | 0 | 0 | 0 | 0 | 110.9 | F96 V97 A102 I103 K104 V359 M363 | F96-V100 HydrophobicContact CD2-CG2 4.31Å; F96-V100 HydrophobicContact CE1-CG2 4.21Å; F96-V100 HydrophobicContact CE2-CG2 3.93Å; F96-V100 HydrophobicContact CZ-CG2 3.88Å; F96-V100 WeakPolarHBondContact O-CG2 3.46Å; F96-V100 PolarHBondContact O-N 2.76Å; V97-V100 PolarHBondContact O-N 3.09Å; V100-A102 VanDerWaalsContact C-N 3.33Å; V100-A102 PolarHBondContact O-N 2.94Å; V100-I103 PolarHBondContact O-N 3.38Å; V100-K104 PolarHBondContact O-N 3.19Å; V100-K104 VanDerWaalsContact O-N 3.09Å; V100-V359 HydrophobicContact CG1-CG1 4.34Å; V100-M363 HydrophobicContact CG1-CE 3.82Å |
| 101 | T | 81.8 | Confident | 84.5 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.9 | -38.4 | 176.7 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | Q62 V97 T99 K104 Q105 E362 | Q62-T101 HydrophobicContact CG-CG2 4.21Å; V97-T101 PolarHBondContact O-N 2.9Å; V97-T101 VanDerWaalsContact O-N 3.12Å; V97-T101 PolarHBondContact O-OG1 2.79Å; T99-T101 PolarHBondContact O-N 2.77Å; T101-K104 PolarHBondContact O-N 3.14Å; T101-Q105 WeakPolarHBondContact O-CG 3.32Å; T101-Q105 PolarHBondContact O-N 2.76Å; T101-E362 WeakPolarHBondContact CG2-OE2 3.38Å; T101-E362 PolarHBondContact OG1-OE2 3.23Å |
| 102 | A | 87.9 | Confident | 84.2 | Confident | 18 Ų | 18 | 56.4 Ų | 56.4 | 15% | 0.149 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F54 N58 I98 T99 V100 K104 Q105 G106 | F54-A102 WeakPolarHBondContact CZ-O 3.33Å; N58-A102 WeakPolarHBondContact OD1-CB 3.4Å; I98-A102 VanDerWaalsContact O-CB 3.22Å; I98-A102 WeakPolarHBondContact O-CB 3.49Å; I98-A102 PolarHBondContact O-N 2.79Å; T99-A102 PolarHBondContact O-N 2.96Å; V100-A102 VanDerWaalsContact C-N 3.33Å; V100-A102 PolarHBondContact O-N 2.94Å; A102-K104 PolarHBondContact O-N 3.42Å; A102-Q105 PolarHBondContact O-N 3.26Å; A102-G106 PolarHBondContact O-N 2.92Å |
| 103 | I | 88.8 | Confident | 84.3 | Confident | 117 Ų | 117 | 54.5 Ų | 54.5 | 60% | 0.6 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -60 | -46.8 | 178 | -69 | 167.1 | 0 | 0 | 0 | 110.9 | T99 V100 Q105 G106 Y107 | T99-I103 HydrophobicContact CG2-CD1 3.98Å; T99-I103 WeakPolarHBondContact O-CG1 3.4Å; T99-I103 PolarHBondContact O-N 2.93Å; V100-I103 PolarHBondContact O-N 3.38Å; I103-Q105 PolarHBondContact O-N 2.84Å; I103-G106 PolarHBondContact O-N 2.91Å; I103-Y107 WeakPolarHBondContact O-CB 3.45Å; I103-Y107 PolarHBondContact O-N 3.15Å |
| 104 | K | 82.1 | Confident | 84.6 | Confident | 25 Ų | 25 | 60.1 Ų | 60.1 | 11% | 0.109 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -55.2 | -54.9 | 175.9 | 179.7 | -163.1 | 170.5 | -176.6 | 0 | 111 | V100 T101 A102 G106 Y107 E108 F366 S392 D393 | V100-K104 PolarHBondContact O-N 3.19Å; V100-K104 VanDerWaalsContact O-N 3.09Å; T101-K104 PolarHBondContact O-N 3.14Å; A102-K104 PolarHBondContact O-N 3.42Å; K104-G106 VanDerWaalsContact C-N 3.31Å; K104-G106 PolarHBondContact O-N 2.86Å; K104-Y107 PolarHBondContact O-N 2.84Å; K104-E108 WeakPolarHBondContact CE-OE1 3.45Å; K104-E108 IonicContact NZ-OE1 3.11Å; K104-E108 PolarHBondContact O-N 3.42Å; K104-F366 HydrophobicContact CG-CD2 4.37Å; K104-S392 WeakPolarHBondContact CE-OG 3.38Å; K104-S392 PolarHBondContact NZ-OG 3.04Å; K104-S392 VanDerWaalsContact NZ-OG 3.1Å; K104-D393 IonicContact NZ-OD1 3.87Å; K104-D393 PolarHBondContact NZ-OD1 2.81Å |
| 105 | Q | 81.6 | Confident | 84.3 | Confident | 29 Ų | 29 | 61.5 Ų | 61.5 | 14% | 0.136 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66 | -34.7 | -176.4 | -69.2 | -176.7 | 13.4 | 0 | 0 | 112.4 | Y49 N58 T101 A102 I103 D109 | Y49-Q105 PolarHBondContact OH-OE1 3.01Å; N58-Q105 PolarHBondContact ND2-OE1 2.87Å; T101-Q105 WeakPolarHBondContact O-CG 3.32Å; T101-Q105 PolarHBondContact O-N 2.76Å; A102-Q105 PolarHBondContact O-N 3.26Å; I103-Q105 PolarHBondContact O-N 2.84Å; Q105-D109 WeakPolarHBondContact O-CB 3.26Å; Q105-D109 PolarHBondContact O-N 3Å |
| 106 | G | 87.3 | Confident | 84.2 | Confident | 22 Ų | 22 | 56.2 Ų | 56.2 | 23% | 0.227 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A102 I103 K104 D109 W110 | A102-G106 PolarHBondContact O-N 2.92Å; I103-G106 PolarHBondContact O-N 2.91Å; K104-G106 VanDerWaalsContact C-N 3.31Å; K104-G106 PolarHBondContact O-N 2.86Å; G106-D109 PolarHBondContact O-N 3.11Å; G106-W110 WeakPolarHBondContact O-CB 3.34Å; G106-W110 PolarHBondContact O-N 3.16Å |
| 107 | Y | 84.9 | Confident | 84.4 | Confident | 122 Ų | 122 | 56.5 Ų | 56.5 | 48% | 0.478 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.9 | -46.3 | 175.6 | 179 | -102.2 | 0 | 0 | 0 | 112.2 | I103 K104 D109 W110 L111 | I103-Y107 WeakPolarHBondContact O-CB 3.45Å; I103-Y107 PolarHBondContact O-N 3.15Å; K104-Y107 PolarHBondContact O-N 2.84Å; Y107-D109 VanDerWaalsContact C-N 3.33Å; Y107-D109 PolarHBondContact O-N 3.41Å; Y107-W110 HydrophobicContact CE2-CE3 4.38Å; Y107-W110 HydrophobicContact CE2-CZ3 4.47Å; Y107-W110 PolarHBondContact O-N 3.37Å; Y107-L111 HydrophobicContact CD1-CD1 4.33Å; Y107-L111 HydrophobicContact CE1-CD1 3.79Å; Y107-L111 HydrophobicContact CE1-CG 4.39Å; Y107-L111 PolarHBondContact O-N 3.03Å; Y107-L111 VanDerWaalsContact O-N 3.14Å |
| 108 | E | 77.6 | Confident | 84.7 | Confident | 60 Ų | 60 | 63.4 Ų | 63.4 | 28% | 0.28 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.9 | -39.9 | 177.2 | -72.9 | -179.5 | 174.5 | 0 | 0 | 112.4 | K104 S392 | K104-E108 WeakPolarHBondContact CE-OE1 3.45Å; K104-E108 IonicContact NZ-OE1 3.11Å; K104-E108 PolarHBondContact O-N 3.42Å; E108-S392 PolarHBondContact OE1-OG 3.4Å |
| 109 | D | 83.9 | Confident | 84.5 | Confident | 7 Ų | 7 | 65.6 Ų | 65.6 | 4% | 0.037 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -75.4 | -31.9 | 177.7 | -154.7 | 60.7 | 0 | 0 | 0 | 112.3 | K48 Y49 Q105 G106 Y107 L111 R112 H113 | K48-D109 PolarHBondContact N-OD1 3.27Å; Y49-D109 WeakPolarHBondContact CA-OD2 3.48Å; Y49-D109 WeakPolarHBondContact CB-OD2 3.25Å; Y49-D109 HydrophobicContact CD2-CB 3.75Å; Y49-D109 WeakPolarHBondContact CD2-OD2 3.48Å; Y49-D109 HydrophobicContact CE2-CB 4.38Å; Y49-D109 PolarHBondContact N-OD2 3.46Å; Q105-D109 WeakPolarHBondContact O-CB 3.26Å; Q105-D109 PolarHBondContact O-N 3Å; G106-D109 PolarHBondContact O-N 3.11Å; Y107-D109 VanDerWaalsContact C-N 3.33Å; Y107-D109 PolarHBondContact O-N 3.41Å; D109-L111 VanDerWaalsContact C-N 3.3Å; D109-L111 PolarHBondContact O-N 3.27Å; D109-R112 WeakPolarHBondContact O-CA 3.4Å; D109-R112 WeakPolarHBondContact O-CB 3.48Å; D109-R112 PolarHBondContact O-N 3.32Å; D109-R112 IonicContact OD1-NH1 3.96Å; D109-H113 PolarHBondContact O-CD2 3.08Å; D109-H113 VanDerWaalsContact O-CD2 3.27Å; D109-H113 PolarHBondContact O-N 2.86Å; D109-H113 IonicContact OD2-CD2 3.69Å; D109-H113 IonicContact OD2-NE2 3.35Å; D109-H113 PolarHBondContact OD2-NE2 3.41Å |
| 110 | W | 85.8 | Confident | 84.7 | Confident | 138 Ų | 138 | 63.1 Ų | 63.1 | 52% | 0.523 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.1 | -38.3 | 173 | 176.7 | 82.3 | 0 | 0 | 0 | 112.3 | G106 Y107 R112 H113 K114 | G106-W110 WeakPolarHBondContact O-CB 3.34Å; G106-W110 PolarHBondContact O-N 3.16Å; Y107-W110 HydrophobicContact CE2-CE3 4.38Å; Y107-W110 HydrophobicContact CE2-CZ3 4.47Å; Y107-W110 PolarHBondContact O-N 3.37Å; W110-R112 PolarHBondContact O-N 2.85Å; W110-H113 WeakPolarHBondContact O-CB 3.47Å; W110-H113 PolarHBondContact O-N 2.95Å; W110-K114 HydrophobicContact CH2-CD 4.14Å; W110-K114 HydrophobicContact CZ3-CD 4.47Å; W110-K114 PolarHBondContact O-N 3.33Å |
| 111 | L | 79.9 | Confident | 85 | Confident | 76 Ų | 76 | 63.1 Ų | 63.1 | 40% | 0.398 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.1 | -34.7 | 173.1 | -69.5 | 173.9 | 0 | 0 | 0 | 112 | Y107 D109 K114 A115 | Y107-L111 HydrophobicContact CD1-CD1 4.33Å; Y107-L111 HydrophobicContact CE1-CD1 3.79Å; Y107-L111 HydrophobicContact CE1-CG 4.39Å; Y107-L111 PolarHBondContact O-N 3.03Å; Y107-L111 VanDerWaalsContact O-N 3.14Å; D109-L111 VanDerWaalsContact C-N 3.3Å; D109-L111 PolarHBondContact O-N 3.27Å; L111-K114 PolarHBondContact O-N 2.83Å; L111-A115 PolarHBondContact O-N 3Å; L111-A115 VanDerWaalsContact O-N 3.14Å |
| 112 | R | 80.5 | Confident | 85.4 | Confident | 106 Ų | 106 | 64.8 Ų | 64.8 | 40% | 0.4 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.3 | -44.2 | 174.3 | -60.3 | 178.9 | -172.9 | 165.1 | 2.7 | 111.7 | D109 W110 K114 A115 D116 | D109-R112 WeakPolarHBondContact O-CA 3.4Å; D109-R112 WeakPolarHBondContact O-CB 3.48Å; D109-R112 PolarHBondContact O-N 3.32Å; D109-R112 IonicContact OD1-NH1 3.96Å; W110-R112 PolarHBondContact O-N 2.85Å; R112-K114 VanDerWaalsContact C-N 3.27Å; R112-K114 PolarHBondContact O-N 2.98Å; R112-A115 PolarHBondContact O-N 3.32Å; R112-D116 WeakPolarHBondContact O-CB 3.37Å; R112-D116 PolarHBondContact O-N 3.18Å |
| 113 | H | 86.5 | Confident | 85.7 | Confident | 59 Ų | 59 | 67.9 Ų | 67.9 | 27% | 0.273 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.5 | -40.8 | 173.7 | -79.6 | -71.5 | 0 | 0 | 0 | 112.2 | S47 Y49 D109 W110 D116 N117 | S47-H113 WeakPolarHBondContact CB-CE1 3.49Å; S47-H113 WeakPolarHBondContact CB-NE2 3.42Å; S47-H113 PolarHBondContact OG-CE1 3.46Å; S47-H113 PolarHBondContact OG-NE2 2.83Å; Y49-H113 PolarHBondContact O-CE1 3.44Å; Y49-H113 PolarHBondContact O-NE2 3.22Å; D109-H113 PolarHBondContact O-CD2 3.08Å; D109-H113 VanDerWaalsContact O-CD2 3.27Å; D109-H113 PolarHBondContact O-N 2.86Å; D109-H113 IonicContact OD2-CD2 3.69Å; D109-H113 IonicContact OD2-NE2 3.35Å; D109-H113 PolarHBondContact OD2-NE2 3.41Å; W110-H113 WeakPolarHBondContact O-CB 3.47Å; W110-H113 PolarHBondContact O-N 2.95Å; H113-D116 PolarHBondContact O-N 3.4Å; H113-N117 WeakPolarHBondContact O-CB 3.4Å; H113-N117 VanDerWaalsContact O-CG 3.31Å; H113-N117 PolarHBondContact O-N 3.07Å; H113-N117 PolarHBondContact O-ND2 3.22Å |
| 114 | K | 87.4 | Confident | 85.9 | Confident | 127 Ų | 127 | 63 Ų | 63 | 55% | 0.552 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61.5 | -47.3 | 176.1 | -173.7 | 179.6 | 177 | -177.1 | 0 | 111.4 | W110 L111 R112 N117 E118 | W110-K114 HydrophobicContact CH2-CD 4.14Å; W110-K114 HydrophobicContact CZ3-CD 4.47Å; W110-K114 PolarHBondContact O-N 3.33Å; L111-K114 PolarHBondContact O-N 2.83Å; R112-K114 VanDerWaalsContact C-N 3.27Å; R112-K114 PolarHBondContact O-N 2.98Å; K114-N117 PolarHBondContact O-N 3.34Å; K114-E118 PolarHBondContact O-N 3.09Å |
| 115 | A | 80.3 | Confident | 86.6 | Confident | 39 Ų | 39 | 64.3 Ų | 64.3 | 32% | 0.322 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L111 R112 N117 E118 V119 | L111-A115 PolarHBondContact O-N 3Å; L111-A115 VanDerWaalsContact O-N 3.14Å; R112-A115 PolarHBondContact O-N 3.32Å; A115-N117 VanDerWaalsContact C-N 3.35Å; A115-N117 PolarHBondContact O-N 3.04Å; A115-E118 PolarHBondContact O-N 2.81Å; A115-V119 PolarHBondContact O-N 2.96Å |
| 116 | D | 85.3 | Confident | 87.1 | Confident | 9 Ų | 9 | 62.9 Ų | 62.9 | 5% | 0.048 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.4 | -41.3 | 176.4 | -72.1 | -16.3 | 0 | 0 | 0 | 111.4 | S46 S47 R112 H113 E118 V119 N120 | S46-D116 WeakPolarHBondContact CB-OD1 3.32Å; S46-D116 PolarHBondContact N-OD1 3.48Å; S46-D116 PolarHBondContact N-OD2 2.95Å; S46-D116 PolarHBondContact OG-OD1 3.35Å; S46-D116 PolarHBondContact OG-OD2 3.39Å; S46-D116 VanDerWaalsContact OG-OD2 3.05Å; S47-D116 PolarHBondContact N-OD2 2.87Å; R112-D116 WeakPolarHBondContact O-CB 3.37Å; R112-D116 PolarHBondContact O-N 3.18Å; H113-D116 PolarHBondContact O-N 3.4Å; D116-E118 VanDerWaalsContact C-N 3.32Å; D116-E118 PolarHBondContact O-N 3.41Å; D116-V119 PolarHBondContact O-N 2.82Å; D116-N120 VanDerWaalsContact O-CB 3.22Å; D116-N120 WeakPolarHBondContact O-CB 3.43Å; D116-N120 PolarHBondContact O-N 3.37Å; D116-N120 PolarHBondContact O-ND2 2.99Å |
| 117 | N | 89.4 | Confident | 87.3 | Confident | 110 Ų | 110 | 62.3 Ų | 62.3 | 59% | 0.588 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -64.9 | -34.5 | 178.4 | -81.9 | -30.7 | 0 | 0 | 0 | 113 | H113 K114 A115 G121 | H113-N117 WeakPolarHBondContact O-CB 3.4Å; H113-N117 VanDerWaalsContact O-CG 3.31Å; H113-N117 PolarHBondContact O-N 3.07Å; H113-N117 PolarHBondContact O-ND2 3.22Å; K114-N117 PolarHBondContact O-N 3.34Å; A115-N117 VanDerWaalsContact C-N 3.35Å; A115-N117 PolarHBondContact O-N 3.04Å; N117-G121 WeakPolarHBondContact O-CA 3.29Å; N117-G121 PolarHBondContact O-N 3.13Å |
| 118 | E | 86.6 | Confident | 87.4 | Confident | 150 Ų | 150 | 60.1 Ų | 60.1 | 70% | 0.701 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62.7 | -49 | 174.6 | -170.4 | 178.4 | 171.3 | 0 | 0 | 111 | K114 A115 D116 G121 A122 | K114-E118 PolarHBondContact O-N 3.09Å; A115-E118 PolarHBondContact O-N 2.81Å; D116-E118 VanDerWaalsContact C-N 3.32Å; D116-E118 PolarHBondContact O-N 3.41Å; E118-G121 PolarHBondContact O-N 2.86Å; E118-A122 PolarHBondContact O-N 2.85Å |
| 119 | V | 85.1 | Confident | 87.5 | Confident | 61 Ų | 61 | 62.8 Ų | 62.8 | 37% | 0.37 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.3 | -44.6 | 178.4 | 176.7 | 0 | 0 | 0 | 0 | 111.8 | A115 D116 G121 A122 | A115-V119 PolarHBondContact O-N 2.96Å; D116-V119 PolarHBondContact O-N 2.82Å; V119-G121 VanDerWaalsContact C-N 3.27Å; V119-G121 PolarHBondContact O-N 3.4Å; V119-A122 WeakPolarHBondContact O-CB 3.34Å; V119-A122 PolarHBondContact O-N 3.01Å |
| 120 | N | 91.3 | Very high | 87.2 | Confident | 14 Ų | 14 | 64.1 Ų | 64.1 | 8% | 0.075 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -70 | -26.1 | -179.5 | -72.4 | -34.8 | 0 | 0 | 0 | 112.6 | I44 D116 K138 | I44-N120 PolarHBondContact N-OD1 3.39Å; I44-N120 PolarHBondContact O-ND2 3.18Å; D116-N120 VanDerWaalsContact O-CB 3.22Å; D116-N120 WeakPolarHBondContact O-CB 3.43Å; D116-N120 PolarHBondContact O-N 3.37Å; D116-N120 PolarHBondContact O-ND2 2.99Å; N120-K138 HydrophobicContact CB-CB 4.14Å; N120-K138 WeakPolarHBondContact O-CB 3.36Å; N120-K138 WeakPolarHBondContact O-CG 3.49Å; N120-K138 PolarHBondContact O-N 3.45Å |
| 121 | G | 91.7 | Very high | 87.2 | Confident | 35 Ų | 35 | 60.2 Ų | 60.2 | 36% | 0.361 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -85.8 | -11.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | N117 E118 V119 | N117-G121 WeakPolarHBondContact O-CA 3.29Å; N117-G121 PolarHBondContact O-N 3.13Å; E118-G121 PolarHBondContact O-N 2.86Å; V119-G121 VanDerWaalsContact C-N 3.27Å; V119-G121 PolarHBondContact O-N 3.4Å |
| 122 | A | 89.9 | Confident | 87.7 | Confident | 37 Ų | 37 | 59.7 Ų | 59.7 | 31% | 0.306 | 34% | 0.338 | S | S | . | . | trans | -55.5 | 134.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112 | E118 V119 S137 | E118-A122 PolarHBondContact O-N 2.85Å; V119-A122 WeakPolarHBondContact O-CB 3.34Å; V119-A122 PolarHBondContact O-N 3.01Å; A122-S137 PolarHBondContact O-N 3.18Å | ||
| 123 | P | 93.8 | Very high | 88.2 | Confident | 83 Ų | 83 | 57.4 Ų | 57.4 | 54% | 0.539 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 138.9 | 178.1 | 28.9 | -33.4 | 0 | 0 | 0 | 111 | Q134 T135 | P123-Q134 HydrophobicContact CB-CG 4.39Å; P123-T135 WeakPolarHBondContact CA-O 3.36Å |
| 124 | V | 94.1 | Very high | 88.6 | Confident | 13 Ų | 13 | 60.5 Ų | 60.5 | 8% | 0.079 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 143.2 | 178 | 179.8 | 0 | 0 | 0 | 0 | 109 | T135 I140 V146 P155 | V124-T135 PolarHBondContact N-O 2.66Å; V124-T135 PolarHBondContact O-N 2.85Å; V124-T135 VanDerWaalsContact O-O 3.09Å; V124-I140 HydrophobicContact CB-CD1 4.24Å; V124-I140 HydrophobicContact CG1-CD1 3.84Å; V124-I140 HydrophobicContact CG2-CD1 4.2Å; V124-V146 HydrophobicContact CG1-CG1 3.57Å; V124-P155 HydrophobicContact CG1-CG 3.88Å; V124-P155 HydrophobicContact CG2-CB 3.78Å; V124-P155 HydrophobicContact CG2-CG 4.03Å |
| 125 | F | 94.8 | Very high | 88.9 | Confident | 53 Ų | 53 | 55.4 Ų | 55.4 | 23% | 0.232 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 129.7 | 174.9 | -68.5 | -85.9 | 0 | 0 | 0 | 111.2 | L132 Q134 R147 | F125-L132 HydrophobicContact CB-CD1 3.9Å; F125-L132 HydrophobicContact CB-CD2 4.06Å; F125-L132 HydrophobicContact CB-CG 3.91Å; F125-L132 HydrophobicContact CD1-CD2 3.75Å; F125-L132 HydrophobicContact CD1-CG 3.89Å; F125-L132 HydrophobicContact CE1-CD2 4.49Å; F125-L132 HydrophobicContact CG-CD2 4.06Å; F125-L132 HydrophobicContact CG-CG 4.27Å; F125-Q134 HydrophobicContact CD1-CB 3.99Å; F125-Q134 HydrophobicContact CD1-CG 4.38Å; F125-Q134 HydrophobicContact CE1-CB 3.72Å; F125-Q134 HydrophobicContact CE1-CG 3.99Å; F125-Q134 HydrophobicContact CZ-CB 4.35Å; F125-Q134 HydrophobicContact CZ-CG 4.12Å; F125-R147 HydrophobicContact CB-CB 4.16Å; F125-R147 PolarHBondContact O-N 2.78Å |
| 126 | V | 93.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 146.3 | 177 | -63.7 | 0 | 0 | 0 | 0 | 110.3 | R128 V133 T135 I140 I145 V146 | V126-R128 HydrophobicContact CG2-CG 4Å; V126-R128 PolarHBondContact O-N 2.81Å; V126-V133 HydrophobicContact CG2-CB 4.47Å; V126-V133 PolarHBondContact N-O 2.94Å; V126-V133 PolarHBondContact O-N 3.44Å; V126-T135 HydrophobicContact CB-CG2 4.47Å; V126-T135 HydrophobicContact CG1-CG2 3.88Å; V126-T135 HydrophobicContact CG2-CG2 3.72Å; V126-I140 HydrophobicContact CG1-CG1 4.39Å; V126-I145 CarbonylContact C-O 3.58Å; V126-I145 VanDerWaalsContact CA-O 3.27Å; V126-I145 WeakPolarHBondContact CA-O 3.34Å; V126-V146 HydrophobicContact CG1-CG2 4.27Å |
| 127 | V | 90.5 | Very high | 90 | Very high | 10 Ų | 10 | 60 Ų | 60 | 6% | 0.061 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 113.9 | 173.4 | 178.5 | 0 | 0 | 0 | 0 | 108.4 | L132 I145 V198 F256 | V127-L132 HydrophobicContact CG2-CD1 4.15Å; V127-I145 HydrophobicContact CB-CB 4.11Å; V127-I145 HydrophobicContact CB-CG2 4.29Å; V127-I145 HydrophobicContact CG2-CB 4.41Å; V127-I145 HydrophobicContact CG2-CG2 4.05Å; V127-I145 PolarHBondContact N-O 3.48Å; V127-V198 HydrophobicContact CG1-CG1 3.69Å; V127-V198 HydrophobicContact CG2-CG1 4.32Å; V127-F256 HydrophobicContact CG2-CD1 4.25Å; V127-F256 HydrophobicContact CG2-CE1 4.13Å |
| 128 | R | 87.1 | Confident | 90.2 | Very high | 75 Ų | 75 | 57.9 Ų | 57.9 | 28% | 0.283 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 136.4 | 176.5 | -69.6 | -176.8 | 179.5 | 167.2 | 2.4 | 109.4 | V126 G130 S131 V133 N139 D144 | V126-R128 HydrophobicContact CG2-CG 4Å; V126-R128 PolarHBondContact O-N 2.81Å; R128-G130 VanDerWaalsContact C-N 3.33Å; R128-G130 PolarHBondContact O-N 2.76Å; R128-S131 PolarHBondContact N-O 2.64Å; R128-S131 PolarHBondContact O-N 2.87Å; R128-S131 VanDerWaalsContact O-O 3.07Å; R128-S131 PolarHBondContact O-OG 2.72Å; R128-V133 HydrophobicContact CB-CG2 4.32Å; R128-N139 PolarHBondContact NH2-O 2.86Å; R128-N139 VanDerWaalsContact NH2-O 3.09Å; R128-D144 IonicContact CZ-OD1 3.18Å; R128-D144 IonicContact CZ-OD2 2.87Å; R128-D144 IonicContact NE-OD1 3.66Å; R128-D144 PolarHBondContact NE-OD1 2.88Å; R128-D144 IonicContact NE-OD2 2.7Å; R128-D144 IonicContact NH2-OD1 3.96Å; R128-D144 IonicContact NH2-OD2 2.64Å; R128-D144 PolarHBondContact NH2-OD2 3.05Å |
| 129 | S | 79.5 | Confident | 90.6 | Very high | 116 Ų | 116 | 53.9 Ų | 53.9 | 81% | 0.811 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 48.9 | 175.7 | -53.9 | 0 | 0 | 0 | 0 | 113.1 | S131 | S129-S131 PolarHBondContact O-N 2.79Å; S129-S131 VanDerWaalsContact O-N 3.15Å |
| 130 | G | 77.1 | Confident | 91.1 | Very high | 35 Ų | 35 | 51 Ų | 51 | 36% | 0.361 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 10.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | R128 E202 | R128-G130 VanDerWaalsContact C-N 3.33Å; R128-G130 PolarHBondContact O-N 2.76Å; G130-E202 WeakPolarHBondContact CA-OE1 3.22Å; G130-E202 WeakPolarHBondContact CA-OE2 3.49Å; G130-E202 PolarHBondContact N-OE1 3.23Å; G130-E202 PolarHBondContact N-OE2 3.01Å |
| 131 | S | 86.1 | Confident | 91.2 | Very high | 57 Ų | 57 | 58.1 Ų | 58.1 | 40% | 0.399 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 159 | -179.5 | 65.3 | 0 | 0 | 0 | 0 | 112.4 | R128 S129 V133 | R128-S131 PolarHBondContact N-O 2.64Å; R128-S131 PolarHBondContact O-N 2.87Å; R128-S131 VanDerWaalsContact O-O 3.07Å; R128-S131 PolarHBondContact O-OG 2.72Å; S129-S131 PolarHBondContact O-N 2.79Å; S129-S131 VanDerWaalsContact O-N 3.15Å; S131-V133 PolarHBondContact O-N 3.5Å |
| 132 | L | 89.9 | Confident | 91.3 | Very high | 65 Ų | 65 | 56.8 Ų | 56.8 | 34% | 0.34 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 108.2 | 172.9 | -167.3 | 75.6 | 0 | 0 | 0 | 108.9 | F125 V127 R147 | F125-L132 HydrophobicContact CB-CD1 3.9Å; F125-L132 HydrophobicContact CB-CD2 4.06Å; F125-L132 HydrophobicContact CB-CG 3.91Å; F125-L132 HydrophobicContact CD1-CD2 3.75Å; F125-L132 HydrophobicContact CD1-CG 3.89Å; F125-L132 HydrophobicContact CE1-CD2 4.49Å; F125-L132 HydrophobicContact CG-CD2 4.06Å; F125-L132 HydrophobicContact CG-CG 4.27Å; V127-L132 HydrophobicContact CG2-CD1 4.15Å; L132-R147 HydrophobicContact CD1-CB 3.83Å; L132-R147 HydrophobicContact CD1-CG 4.47Å |
| 133 | V | 92.4 | Very high | 91.4 | Very high | 57 Ų | 57 | 55 Ų | 55 | 35% | 0.345 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 126.8 | -176.5 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | V126 R128 S131 | V126-V133 HydrophobicContact CG2-CB 4.47Å; V126-V133 PolarHBondContact N-O 2.94Å; V126-V133 PolarHBondContact O-N 3.44Å; R128-V133 HydrophobicContact CB-CG2 4.32Å; S131-V133 PolarHBondContact O-N 3.5Å |
| 134 | Q | 93.8 | Very high | 91.4 | Very high | 124 Ų | 124 | 51.4 Ų | 51.4 | 58% | 0.579 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 124.4 | 170.7 | -166.3 | 180 | 1.9 | 0 | 0 | 109.9 | P123 F125 | P123-Q134 HydrophobicContact CB-CG 4.39Å; F125-Q134 HydrophobicContact CD1-CB 3.99Å; F125-Q134 HydrophobicContact CD1-CG 4.38Å; F125-Q134 HydrophobicContact CE1-CB 3.72Å; F125-Q134 HydrophobicContact CE1-CG 3.99Å; F125-Q134 HydrophobicContact CZ-CB 4.35Å; F125-Q134 HydrophobicContact CZ-CG 4.12Å |
| 135 | T | 94.4 | Very high | 91.4 | Very high | 20 Ų | 20 | 50.8 Ų | 50.8 | 12% | 0.123 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 178.1 | 176.2 | -167.5 | 0 | 0 | 0 | 0 | 110.4 | P123 V124 V126 N139 | P123-T135 WeakPolarHBondContact CA-O 3.36Å; V124-T135 PolarHBondContact N-O 2.66Å; V124-T135 PolarHBondContact O-N 2.85Å; V124-T135 VanDerWaalsContact O-O 3.09Å; V126-T135 HydrophobicContact CB-CG2 4.47Å; V126-T135 HydrophobicContact CG1-CG2 3.88Å; V126-T135 HydrophobicContact CG2-CG2 3.72Å; T135-N139 WeakPolarHBondContact OG1-CB 3.49Å; T135-N139 PolarHBondContact OG1-ND2 3.47Å |
| 136 | R | 94.9 | Very high | 91.4 | Very high | 142 Ų | 142 | 48.3 Ų | 48.3 | 54% | 0.536 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 146.6 | 172.9 | -60 | -175.3 | -172.7 | -175.1 | 5.1 | 109.8 | K138 N139 | R136-K138 HydrophobicContact CB-CG 4.19Å; R136-K138 PolarHBondContact O-N 3.27Å; R136-K138 VanDerWaalsContact O-N 3.13Å; R136-N139 WeakPolarHBondContact O-CB 3.34Å; R136-N139 PolarHBondContact O-N 2.83Å |
| 137 | S | 93.7 | Very high | 91.4 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 3% | 0.028 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -48.6 | -43.3 | 179 | 179.9 | 0 | 0 | 0 | 0 | 112.9 | N42 A122 N139 I140 | N42-S137 PolarHBondContact ND2-O 2.69Å; A122-S137 PolarHBondContact O-N 3.18Å; S137-N139 PolarHBondContact O-N 2.65Å; S137-N139 VanDerWaalsContact O-N 3.07Å; S137-I140 WeakPolarHBondContact O-CG1 3.45Å; S137-I140 PolarHBondContact O-N 3.42Å |
| 138 | K | 94.4 | Very high | 91.6 | Very high | 64 Ų | 64 | 50.1 Ų | 50.1 | 28% | 0.278 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -61.4 | -16.9 | 177.7 | 69.3 | 177.8 | -174.2 | 178 | 0 | 116.1 | R43 N120 R136 | R43-K138 HydrophobicContact CG-CB 3.83Å; N120-K138 HydrophobicContact CB-CB 4.14Å; N120-K138 WeakPolarHBondContact O-CB 3.36Å; N120-K138 WeakPolarHBondContact O-CG 3.49Å; N120-K138 PolarHBondContact O-N 3.45Å; R136-K138 HydrophobicContact CB-CG 4.19Å; R136-K138 PolarHBondContact O-N 3.27Å; R136-K138 VanDerWaalsContact O-N 3.13Å |
| 139 | N | 95 | Very high | 92 | Very high | 67 Ų | 67 | 47.4 Ų | 47.4 | 36% | 0.358 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -96.3 | 1.3 | -176.5 | -65 | -17.4 | 0 | 0 | 0 | 113.1 | R128 T135 R136 S137 | R128-N139 PolarHBondContact NH2-O 2.86Å; R128-N139 VanDerWaalsContact NH2-O 3.09Å; T135-N139 WeakPolarHBondContact OG1-CB 3.49Å; T135-N139 PolarHBondContact OG1-ND2 3.47Å; R136-N139 WeakPolarHBondContact O-CB 3.34Å; R136-N139 PolarHBondContact O-N 2.83Å; S137-N139 PolarHBondContact O-N 2.65Å; S137-N139 VanDerWaalsContact O-N 3.07Å |
| 140 | I | 94.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | trans | -68.9 | 138 | 172.9 | -61.3 | 170.8 | 0 | 0 | 0 | 108.7 | N42 V124 V126 S137 D144 V146 P155 A259 T262 | N42-I140 HydrophobicContact CB-CB 4.09Å; N42-I140 VanDerWaalsContact CB-O 3.31Å; N42-I140 WeakPolarHBondContact CB-O 3.26Å; V124-I140 HydrophobicContact CB-CD1 4.24Å; V124-I140 HydrophobicContact CG1-CD1 3.84Å; V124-I140 HydrophobicContact CG2-CD1 4.2Å; V126-I140 HydrophobicContact CG1-CG1 4.39Å; S137-I140 WeakPolarHBondContact O-CG1 3.45Å; S137-I140 PolarHBondContact O-N 3.42Å; I140-D144 HydrophobicContact CG2-CB 4.41Å; I140-V146 HydrophobicContact CG2-CG2 4.22Å; I140-P155 HydrophobicContact CD1-CB 3.6Å; I140-P155 HydrophobicContact CD1-CG 3.51Å; I140-A259 HydrophobicContact CG2-CB 3.99Å; I140-T262 HydrophobicContact CG2-CG2 4.3Å | ||
| 141 | R | 93.3 | Very high | 92.9 | Very high | 163 Ų | 163 | 47.9 Ų | 47.9 | 62% | 0.615 | 23% | 0.228 | S | C | * | . | trans | -119.3 | 154.2 | 176.3 | -61.5 | 177.9 | -179.3 | 174.4 | -0.6 | 109.5 | G143 D144 | R141-G143 PolarHBondContact O-N 3.12Å; R141-D144 PolarHBondContact N-OD2 3.06Å; R141-D144 VanDerWaalsContact O-CB 3.31Å; R141-D144 WeakPolarHBondContact O-CB 3.23Å; R141-D144 PolarHBondContact O-N 2.87Å; R141-D144 VanDerWaalsContact O-N 3.07Å | ||
| 142 | V | 93.5 | Very high | 93.1 | Very high | 7 Ų | 7 | 48.6 Ų | 48.6 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 134.8 | 169 | 175.7 | 0 | 0 | 0 | 0 | 108.9 | V22 N26 F39 A259 T262 | V22-V142 HydrophobicContact CB-CG1 4.15Å; V22-V142 HydrophobicContact CG1-CG1 3.65Å; V22-V142 HydrophobicContact CG2-CG1 3.5Å; V22-V142 VanDerWaalsContact CG2-CG1 3.5Å; N26-V142 PolarHBondContact OD1-O 2.97Å; F39-V142 HydrophobicContact CB-CB 4.12Å; F39-V142 HydrophobicContact CB-CG2 3.61Å; F39-V142 HydrophobicContact CD1-CB 4.48Å; F39-V142 HydrophobicContact CD1-CG1 4.34Å; F39-V142 HydrophobicContact CD1-CG2 4.16Å; F39-V142 HydrophobicContact CD2-CB 3.64Å; F39-V142 HydrophobicContact CD2-CG1 3.81Å; F39-V142 HydrophobicContact CD2-CG2 4.05Å; F39-V142 HydrophobicContact CE1-CG1 4.35Å; F39-V142 HydrophobicContact CE2-CB 4.15Å; F39-V142 HydrophobicContact CE2-CG1 3.81Å; F39-V142 HydrophobicContact CG-CB 3.82Å; F39-V142 HydrophobicContact CG-CG1 4.08Å; F39-V142 HydrophobicContact CG-CG2 3.67Å; F39-V142 HydrophobicContact CZ-CG1 4.08Å; V142-A259 WeakPolarHBondContact CA-O 3.39Å; V142-T262 HydrophobicContact CG2-CG2 4Å; V142-T262 WeakPolarHBondContact CG2-OG1 3.48Å |
| 143 | G | 92.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | -12.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y23 A25 R141 A259 | Y23-G143 WeakPolarHBondContact O-CA 3.48Å; A25-G143 WeakPolarHBondContact CA-O 3.43Å; A25-G143 PolarHBondContact N-O 3.43Å; R141-G143 PolarHBondContact O-N 3.12Å; G143-A259 PolarHBondContact N-O 2.66Å |
| 144 | D | 93.3 | Very high | 93.2 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 3% | 0.032 | 21% | 0.214 | C | C | . | . | trans | -66.2 | 137.7 | 173 | -76.9 | -26.3 | 0 | 0 | 0 | 110.9 | N26 R128 I140 R141 V258 A259 | N26-D144 PolarHBondContact ND2-OD1 3.43Å; R128-D144 IonicContact CZ-OD1 3.18Å; R128-D144 IonicContact CZ-OD2 2.87Å; R128-D144 IonicContact NE-OD1 3.66Å; R128-D144 PolarHBondContact NE-OD1 2.88Å; R128-D144 IonicContact NE-OD2 2.7Å; R128-D144 IonicContact NH2-OD1 3.96Å; R128-D144 IonicContact NH2-OD2 2.64Å; R128-D144 PolarHBondContact NH2-OD2 3.05Å; I140-D144 HydrophobicContact CG2-CB 4.41Å; R141-D144 PolarHBondContact N-OD2 3.06Å; R141-D144 VanDerWaalsContact O-CB 3.31Å; R141-D144 WeakPolarHBondContact O-CB 3.23Å; R141-D144 PolarHBondContact O-N 2.87Å; R141-D144 VanDerWaalsContact O-N 3.07Å; D144-V258 WeakPolarHBondContact O-CA 3.48Å; D144-A259 PolarHBondContact O-N 2.8Å | ||
| 145 | I | 94.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 120 | 169.5 | -57.2 | 172.7 | 0 | 0 | 0 | 107.8 | V24 A25 V126 V127 L161 L201 F256 G257 | V24-I145 HydrophobicContact CG1-CD1 3.81Å; V24-I145 HydrophobicContact CG1-CG1 3.89Å; A25-I145 HydrophobicContact CB-CD1 4.17Å; V126-I145 CarbonylContact C-O 3.58Å; V126-I145 VanDerWaalsContact CA-O 3.27Å; V126-I145 WeakPolarHBondContact CA-O 3.34Å; V127-I145 HydrophobicContact CB-CB 4.11Å; V127-I145 HydrophobicContact CB-CG2 4.29Å; V127-I145 HydrophobicContact CG2-CB 4.41Å; V127-I145 HydrophobicContact CG2-CG2 4.05Å; V127-I145 PolarHBondContact N-O 3.48Å; I145-L161 HydrophobicContact CD1-CD1 4.47Å; I145-L161 HydrophobicContact CG1-CD1 4.26Å; I145-L161 HydrophobicContact CG2-CD1 4.38Å; I145-L201 HydrophobicContact CD1-CB 4.25Å; I145-F256 HydrophobicContact CG2-CB 4.28Å; I145-F256 HydrophobicContact CG2-CD1 4.3Å; I145-G257 CarbonylContact C-O 3.57Å; I145-G257 WeakPolarHBondContact CA-O 3.36Å |
| 146 | V | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 131.5 | -176.6 | -175.3 | 0 | 0 | 0 | 0 | 109 | V124 V126 I140 V148 P155 L158 F256 G257 | V124-V146 HydrophobicContact CG1-CG1 3.57Å; V126-V146 HydrophobicContact CG1-CG2 4.27Å; I140-V146 HydrophobicContact CG2-CG2 4.22Å; V146-V148 HydrophobicContact CG1-CG2 3.99Å; V146-P155 HydrophobicContact CG1-CG 3.95Å; V146-L158 HydrophobicContact CB-CD1 3.97Å; V146-L158 HydrophobicContact CB-CD2 4.16Å; V146-L158 HydrophobicContact CG1-CD1 4.24Å; V146-L158 HydrophobicContact CG2-CD2 3.89Å; V146-F256 WeakPolarHBondContact O-CA 3.19Å; V146-G257 PolarHBondContact N-O 2.89Å; V146-G257 PolarHBondContact O-N 3.48Å |
| 147 | R | 94.5 | Very high | 93.2 | Very high | 45 Ų | 45 | 33.2 Ų | 33.2 | 17% | 0.17 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 130.2 | 169.3 | -170.4 | -164.6 | 79.5 | 113.7 | 0.9 | 109 | F125 L132 E254 I255 F256 | F125-R147 HydrophobicContact CB-CB 4.16Å; F125-R147 PolarHBondContact O-N 2.78Å; L132-R147 HydrophobicContact CD1-CB 3.83Å; L132-R147 HydrophobicContact CD1-CG 4.47Å; R147-E254 IonicContact CZ-OE2 3.84Å; R147-E254 IonicContact NH1-OE2 2.8Å; R147-E254 PolarHBondContact NH1-OE2 2.86Å; R147-I255 WeakPolarHBondContact CA-O 3.38Å; R147-F256 HydrophobicContact CB-CD1 3.98Å; R147-F256 HydrophobicContact CB-CE1 3.78Å; R147-F256 HydrophobicContact CG-CD1 4.14Å; R147-F256 HydrophobicContact CG-CE1 3.7Å; R147-F256 HydrophobicContact CG-CZ 4.04Å |
| 148 | V | 94.9 | Very high | 93.4 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.018 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 125.9 | 175.6 | -176.4 | 0 | 0 | 0 | 0 | 108.6 | V146 E152 F154 L158 L249 E254 I255 | V146-V148 HydrophobicContact CG1-CG2 3.99Å; V148-E152 HydrophobicContact CG1-CB 3.81Å; V148-F154 HydrophobicContact CB-CD1 4.24Å; V148-F154 HydrophobicContact CB-CE1 4.05Å; V148-F154 HydrophobicContact CG1-CD1 4.05Å; V148-F154 HydrophobicContact CG1-CE1 3.91Å; V148-F154 HydrophobicContact CG2-CD1 3.82Å; V148-F154 HydrophobicContact CG2-CE1 4.1Å; V148-L158 HydrophobicContact CG2-CD1 4.11Å; V148-L249 HydrophobicContact CG1-CB 4.29Å; V148-L249 WeakPolarHBondContact O-CD2 3.26Å; V148-E254 VanDerWaalsContact O-CA 3.29Å; V148-E254 WeakPolarHBondContact O-CA 3.35Å; V148-I255 HydrophobicContact CB-CD1 4.1Å; V148-I255 HydrophobicContact CB-CG1 4.05Å; V148-I255 HydrophobicContact CG2-CD1 4.29Å; V148-I255 PolarHBondContact N-O 2.93Å; V148-I255 PolarHBondContact O-N 3.17Å |
| 149 | A | 93.9 | Very high | 93.4 | Very high | 18 Ų | 18 | 30.1 Ų | 30.1 | 15% | 0.149 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 166.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D151 E152 K253 | A149-D151 PolarHBondContact O-N 2.84Å; A149-E152 HydrophobicContact CB-CG 4.17Å; A149-E152 PolarHBondContact N-OE2 3.19Å; A149-E152 WeakPolarHBondContact O-CB 3.47Å; A149-E152 PolarHBondContact O-N 2.83Å; A149-E152 VanDerWaalsContact O-N 3.14Å; A149-K253 CarbonylContact C-O 3.53Å |
| 150 | K | 90.3 | Very high | 93.5 | Very high | 94 Ų | 94 | 27 Ų | 27 | 41% | 0.409 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 137 | 175.6 | -166.8 | -172.7 | 169.1 | -176.1 | 0 | 110.5 | E152 T252 K253 | K150-E152 PolarHBondContact O-N 2.81Å; K150-T252 WeakPolarHBondContact CA-O 3.46Å; K150-T252 VanDerWaalsContact CB-O 3.25Å; K150-T252 WeakPolarHBondContact CB-O 3.37Å; K150-T252 WeakPolarHBondContact CG-O 3.33Å; K150-K253 PolarHBondContact N-O 3.21Å |
| 151 | D | 86 | Confident | 93.4 | Very high | 68 Ų | 68 | 27 Ų | 27 | 36% | 0.364 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 1.9 | 178.9 | -58.8 | -57.9 | 0 | 0 | 0 | 115.8 | A149 L249 K250 | A149-D151 PolarHBondContact O-N 2.84Å; D151-L249 VanDerWaalsContact CA-O 3.26Å; D151-L249 WeakPolarHBondContact CA-O 3.31Å; D151-L249 PolarHBondContact N-O 3.08Å; D151-K250 VanDerWaalsContact OD1-CD 3.25Å; D151-K250 WeakPolarHBondContact OD1-CD 3.25Å; D151-K250 VanDerWaalsContact OD1-CE 3.31Å; D151-K250 WeakPolarHBondContact OD1-CE 3.17Å; D151-K250 IonicContact OD1-NZ 3.49Å; D151-K250 PolarHBondContact OD1-NZ 3.3Å |
| 152 | E | 90.4 | Very high | 93.4 | Very high | 71 Ų | 71 | 19.3 Ų | 19.3 | 33% | 0.332 | 10% | 0.099 | S | C | . | . | P | Polyproline II helix | trans | -81.8 | 153.2 | 172.9 | -65.3 | -174.3 | 157 | 0 | 0 | 112.6 | V148 A149 K150 R248 L249 | V148-E152 HydrophobicContact CG1-CB 3.81Å; A149-E152 HydrophobicContact CB-CG 4.17Å; A149-E152 PolarHBondContact N-OE2 3.19Å; A149-E152 WeakPolarHBondContact O-CB 3.47Å; A149-E152 PolarHBondContact O-N 2.83Å; A149-E152 VanDerWaalsContact O-N 3.14Å; K150-E152 PolarHBondContact O-N 2.81Å; E152-R248 WeakPolarHBondContact O-CA 3.45Å; E152-L249 PolarHBondContact O-N 2.75Å |
| 153 | T | 90 | Very high | 93.3 | Very high | 71 Ų | 71 | 19.1 Ų | 19.1 | 44% | 0.436 | 10% | 0.098 | S | C | . | . | B | Isolated β-bridge | trans | -88.3 | 137 | 176 | 1.7 | 0 | 0 | 0 | 0 | 110.7 | A247 R248 | T153-A247 WeakPolarHBondContact CA-O 3.37Å; T153-R248 HydrophobicContact CG2-CG 3.61Å |
| 154 | F | 93.9 | Very high | 93 | Very high | 3 Ų | 3 | 22.1 Ų | 22.1 | 1% | 0.013 | 11% | 0.114 | C | C | . | . | P | Polyproline II helix | trans | -66.8 | 129.3 | 175.4 | -62.4 | -73.9 | 0 | 0 | 0 | 111.2 | V148 L158 I172 L243 L244 R245 G246 A247 L249 I255 | V148-F154 HydrophobicContact CB-CD1 4.24Å; V148-F154 HydrophobicContact CB-CE1 4.05Å; V148-F154 HydrophobicContact CG1-CD1 4.05Å; V148-F154 HydrophobicContact CG1-CE1 3.91Å; V148-F154 HydrophobicContact CG2-CD1 3.82Å; V148-F154 HydrophobicContact CG2-CE1 4.1Å; F154-L158 HydrophobicContact CD1-CD1 3.95Å; F154-I172 HydrophobicContact CE2-CB 4.21Å; F154-I172 HydrophobicContact CE2-CG2 3.6Å; F154-I172 HydrophobicContact CZ-CG2 3.71Å; F154-L243 HydrophobicContact CD1-CB 4.15Å; F154-L243 HydrophobicContact CD1-CD1 4.36Å; F154-L243 HydrophobicContact CD2-CB 4.42Å; F154-L243 HydrophobicContact CE1-CB 4.05Å; F154-L243 HydrophobicContact CE1-CD1 3.65Å; F154-L243 HydrophobicContact CE1-CG 4.39Å; F154-L243 HydrophobicContact CE2-CB 4.32Å; F154-L243 HydrophobicContact CG-CB 4.36Å; F154-L243 HydrophobicContact CZ-CB 4.13Å; F154-L243 HydrophobicContact CZ-CD1 3.95Å; F154-L243 HydrophobicContact CZ-CD2 4.4Å; F154-L243 HydrophobicContact CZ-CG 4.39Å; F154-L244 WeakPolarHBondContact CB-O 3.13Å; F154-R245 WeakPolarHBondContact O-CA 3.49Å; F154-G246 PolarHBondContact O-N 3.17Å; F154-A247 HydrophobicContact CD2-CB 3.79Å; F154-A247 WeakPolarHBondContact CD2-O 3.27Å; F154-A247 HydrophobicContact CE2-CB 4.12Å; F154-A247 PolarHBondContact N-O 2.98Å; F154-L249 HydrophobicContact CZ-CB 4.09Å; F154-L249 HydrophobicContact CZ-CD1 4.12Å; F154-I255 HydrophobicContact CE1-CD1 3.94Å; F154-I255 HydrophobicContact CE1-CG1 4.19Å |
| 155 | P | 93.2 | Very high | 92.6 | Very high | 11 Ų | 11 | 25.1 Ų | 25.1 | 7% | 0.071 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -87.1 | -14.2 | -174 | 34 | -36.9 | 0 | 0 | 0 | 114.4 | N42 V124 I140 V146 R245 | N42-P155 PolarHBondContact ND2-O 3.22Å; N42-P155 VanDerWaalsContact ND2-O 3.09Å; V124-P155 HydrophobicContact CG1-CG 3.88Å; V124-P155 HydrophobicContact CG2-CB 3.78Å; V124-P155 HydrophobicContact CG2-CG 4.03Å; I140-P155 HydrophobicContact CD1-CB 3.6Å; I140-P155 HydrophobicContact CD1-CG 3.51Å; V146-P155 HydrophobicContact CG1-CG 3.95Å; P155-R245 WeakPolarHBondContact O-CD 3.43Å; P155-R245 PolarHBondContact O-NE 3.42Å; P155-R245 PolarHBondContact O-NH1 3.39Å; P155-R245 VanDerWaalsContact O-NH1 3.14Å |
| 156 | A | 95.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -154 | 172.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | L158 A259 T262 | A156-L158 HydrophobicContact CB-CD2 4.14Å; A156-L158 PolarHBondContact O-N 2.91Å; A156-A259 HydrophobicContact CB-CB 4.46Å; A156-T262 HydrophobicContact CB-CG2 4.22Å |
| 157 | D | 96 | Very high | 90.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 120.3 | 171.7 | -60.2 | -17.6 | 0 | 0 | 0 | 108.3 | L242 L243 R245 V260 Y261 S266 K267 | D157-L242 HydrophobicContact CB-CD1 4.34Å; D157-L243 CarbonylContact C-O 3.55Å; D157-L243 VanDerWaalsContact CA-O 3.3Å; D157-L243 WeakPolarHBondContact CA-O 3.12Å; D157-R245 WeakPolarHBondContact OD1-CB 3.39Å; D157-R245 PolarHBondContact OD1-N 3.29Å; D157-V260 HydrophobicContact CB-CG2 4.43Å; D157-V260 WeakPolarHBondContact O-CG2 3.41Å; D157-V260 PolarHBondContact O-N 2.87Å; D157-Y261 HydrophobicContact CB-CD2 3.85Å; D157-Y261 HydrophobicContact CB-CG 4.38Å; D157-Y261 PolarHBondContact N-O 3.01Å; D157-Y261 PolarHBondContact O-N 2.95Å; D157-Y261 WeakPolarHBondContact OD2-CD2 3.45Å; D157-S266 WeakPolarHBondContact OD2-CA 3.36Å; D157-K267 PolarHBondContact OD2-N 2.77Å |
| 158 | L | 96.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 142.8 | -173.2 | -48.4 | 179.9 | 0 | 0 | 0 | 111 | V146 V148 F154 A156 L242 L243 V258 A259 | V146-L158 HydrophobicContact CB-CD1 3.97Å; V146-L158 HydrophobicContact CB-CD2 4.16Å; V146-L158 HydrophobicContact CG1-CD1 4.24Å; V146-L158 HydrophobicContact CG2-CD2 3.89Å; V148-L158 HydrophobicContact CG2-CD1 4.11Å; F154-L158 HydrophobicContact CD1-CD1 3.95Å; A156-L158 HydrophobicContact CB-CD2 4.14Å; A156-L158 PolarHBondContact O-N 2.91Å; L158-L242 CarbonylContact O-C 3.55Å; L158-L243 HydrophobicContact CB-CB 4.29Å; L158-L243 PolarHBondContact N-O 3.35Å; L158-L243 PolarHBondContact O-N 3.44Å; L158-V258 CarbonylContact C-O 3.6Å; L158-V258 WeakPolarHBondContact CA-O 3.33Å; L158-A259 HydrophobicContact CD2-CB 3.81Å |
| 159 | V | 96.1 | Very high | 89.9 | Confident | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.018 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 127.4 | 162.9 | 173.4 | 0 | 0 | 0 | 0 | 108.4 | L161 F220 L237 N241 L242 G257 V258 V260 | V159-L161 PolarHBondContact O-N 2.86Å; V159-F220 HydrophobicContact CG2-CE1 4.3Å; V159-F220 HydrophobicContact CG2-CZ 4.02Å; V159-L237 HydrophobicContact CG1-CD1 4.03Å; V159-L237 HydrophobicContact CG1-CD2 4.09Å; V159-L237 HydrophobicContact CG2-CD1 4.4Å; V159-N241 WeakPolarHBondContact CA-O 3.27Å; V159-L242 HydrophobicContact CG2-CD1 4.25Å; V159-G257 CarbonylContact O-C 3.56Å; V159-G257 WeakPolarHBondContact O-CA 3.47Å; V159-V258 HydrophobicContact CB-CG1 3.92Å; V159-V258 PolarHBondContact N-O 2.85Å; V159-V258 PolarHBondContact O-N 3.04Å; V159-V260 HydrophobicContact CB-CG1 4.45Å; V159-V260 HydrophobicContact CG2-CG1 3.69Å; V159-V260 HydrophobicContact CG2-CG2 4.07Å |
| 160 | L | 95.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 121.6 | -178.2 | 178.2 | 61.1 | 0 | 0 | 0 | 111 | S162 C170 H186 N241 L243 I255 | L160-S162 WeakPolarHBondContact CD1-O 3.34Å; L160-C170 HydrophobicContact CD2-CB 4.38Å; L160-H186 HydrophobicContact CD2-CB 4.35Å; L160-N241 PolarHBondContact N-O 2.75Å; L160-L243 HydrophobicContact CB-CD1 4.12Å; L160-L243 HydrophobicContact CB-CG 4.33Å; L160-L243 HydrophobicContact CD1-CD1 4.19Å; L160-I255 HydrophobicContact CD1-CB 3.93Å; L160-I255 HydrophobicContact CD1-CD1 4.4Å; L160-I255 HydrophobicContact CD1-CG2 4.2Å |
| 161 | L | 93.1 | Very high | 89.6 | Confident | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -49.5 | 176.7 | -63.2 | 178 | 0 | 0 | 0 | 111.4 | V24 I145 V159 S188 T192 L201 L204 F256 V258 | V24-L161 HydrophobicContact CG1-CD1 4.3Å; I145-L161 HydrophobicContact CD1-CD1 4.47Å; I145-L161 HydrophobicContact CG1-CD1 4.26Å; I145-L161 HydrophobicContact CG2-CD1 4.38Å; V159-L161 PolarHBondContact O-N 2.86Å; L161-S188 VanDerWaalsContact O-CB 3.3Å; L161-S188 WeakPolarHBondContact O-CB 3.42Å; L161-T192 CarbonylContact O-C 3.45Å; L161-T192 VanDerWaalsContact O-CB 3.25Å; L161-T192 WeakPolarHBondContact O-CB 3.43Å; L161-T192 PolarHBondContact O-OG1 2.74Å; L161-L201 HydrophobicContact CD1-CD2 4.36Å; L161-L204 HydrophobicContact CD1-CD2 4.36Å; L161-F256 WeakPolarHBondContact CB-O 3.42Å; L161-F256 PolarHBondContact N-O 3.23Å; L161-V258 HydrophobicContact CD1-CB 4.14Å; L161-V258 HydrophobicContact CD1-CG1 4.48Å; L161-V258 HydrophobicContact CD2-CG1 4.1Å; L161-V258 HydrophobicContact CG-CB 4.45Å; L161-V258 HydrophobicContact CG-CG1 4.31Å |
| 162 | S | 92.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 157.3 | -179.8 | 62.5 | 0 | 0 | 0 | 0 | 111.7 | L160 C195 I255 F256 | L160-S162 WeakPolarHBondContact CD1-O 3.34Å; S162-C195 VanDerWaalsContact CB-O 3.29Å; S162-C195 WeakPolarHBondContact CB-O 3.38Å; S162-C195 PolarHBondContact OG-O 3.08Å; S162-I255 WeakPolarHBondContact O-CA 3.11Å; S162-F256 PolarHBondContact N-O 2.95Å; S162-F256 PolarHBondContact O-N 3.19Å |
| 163 | S | 91.5 | Very high | 89.3 | Confident | 3 Ų | 3 | 22.4 Ų | 22.4 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 169.7 | 170.7 | 81.6 | 0 | 0 | 0 | 0 | 110.8 | R165 T169 Q196 | S163-R165 PolarHBondContact O-N 2.91Å; S163-R165 PolarHBondContact OG-N 3.19Å; S163-R165 VanDerWaalsContact OG-N 3.13Å; S163-T169 VanDerWaalsContact CB-O 3.27Å; S163-T169 WeakPolarHBondContact CB-O 3.38Å; S163-T169 PolarHBondContact OG-O 3.19Å; S163-Q196 PolarHBondContact O-NE2 3.03Å; S163-Q196 VanDerWaalsContact O-NE2 3.08Å |
| 164 | D | 86.6 | Confident | 88.6 | Confident | 63 Ų | 63 | 19.1 Ų | 19.1 | 34% | 0.337 | 11% | 0.114 | S | C | . | . | S | Bend | trans | -65.3 | -14 | 171.9 | 68.8 | -41.1 | 0 | 0 | 0 | 113.7 | T252 K253 E254 | D164-T252 WeakPolarHBondContact OD1-CG2 3.19Å; D164-K253 HydrophobicContact CB-CB 4.28Å; D164-K253 PolarHBondContact OD1-N 3.48Å; D164-K253 WeakPolarHBondContact OD2-CB 2.84Å; D164-K253 PolarHBondContact OD2-N 3.1Å; D164-E254 HydrophobicContact CB-CG 4.42Å; D164-E254 PolarHBondContact N-O 3.24Å |
| 165 | R | 83.9 | Confident | 87.3 | Confident | 69 Ų | 69 | 19.6 Ų | 19.6 | 26% | 0.26 | 12% | 0.118 | S | C | . | . | S | Bend | trans | -86.9 | 141.1 | 179.9 | -58.8 | -174.3 | 169.7 | -149 | -2.5 | 111.4 | S163 D167 G168 T169 H171 N251 | S163-R165 PolarHBondContact O-N 2.91Å; S163-R165 PolarHBondContact OG-N 3.19Å; S163-R165 VanDerWaalsContact OG-N 3.13Å; R165-D167 WeakPolarHBondContact CB-OD1 3.21Å; R165-D167 PolarHBondContact O-N 3.28Å; R165-G168 PolarHBondContact O-N 2.93Å; R165-T169 WeakPolarHBondContact CD-O 3.46Å; R165-T169 WeakPolarHBondContact CD-OG1 3.37Å; R165-H171 VanDerWaalsContact CZ-NE2 3.35Å; R165-H171 PolarHBondContact NH1-NE2 3.33Å; R165-H171 PolarHBondContact NH2-CD2 3.14Å; R165-N251 PolarHBondContact NH2-O 2.66Å |
| 166 | A | 75.2 | Confident | 85.9 | Confident | 106 Ų | 106 | 21.1 Ų | 21.1 | 88% | 0.876 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -22.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | G168 | A166-G168 VanDerWaalsContact C-N 3.29Š|
| 167 | D | 77.7 | Confident | 84.6 | Confident | 102 Ų | 102 | 21.6 Ų | 21.6 | 55% | 0.545 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -1.4 | 175.3 | 63.6 | 0.6 | 0 | 0 | 0 | 113.1 | R165 T169 | R165-D167 WeakPolarHBondContact CB-OD1 3.21Å; R165-D167 PolarHBondContact O-N 3.28Å; D167-T169 HydrophobicContact CB-CG2 4.24Å; D167-T169 PolarHBondContact O-N 2.87Å; D167-T169 WeakPolarHBondContact OD1-CB 3.28Å; D167-T169 PolarHBondContact OD1-N 3.42Å; D167-T169 VanDerWaalsContact OD1-N 3.08Å; D167-T169 PolarHBondContact OD1-OG1 2.97Å; D167-T169 WeakPolarHBondContact OD2-CG2 3.34Å; D167-T169 PolarHBondContact OD2-OG1 2.75Å; D167-T169 VanDerWaalsContact OD2-OG1 3.05Å |
| 168 | G | 82.9 | Confident | 82.9 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | 66.6 | 22.3 | 180 | 0 | 0 | 0 | 0 | 0 | 113.9 | R165 A166 S188 | R165-G168 PolarHBondContact O-N 2.93Å; A166-G168 VanDerWaalsContact C-N 3.29Å; G168-S188 WeakPolarHBondContact CA-OG 3.3Å; G168-S188 WeakPolarHBondContact O-CB 3.31Å; G168-S188 PolarHBondContact O-N 3.04Å; G168-S188 PolarHBondContact O-OG 3.18Å | ||
| 169 | T | 87.1 | Confident | 80.8 | Confident | 10 Ų | 10 | 21.9 Ų | 21.9 | 6% | 0.061 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 152.6 | 178.5 | 66.3 | 0 | 0 | 0 | 0 | 112.1 | S163 R165 D167 T185 H186 F187 | S163-T169 VanDerWaalsContact CB-O 3.27Å; S163-T169 WeakPolarHBondContact CB-O 3.38Å; S163-T169 PolarHBondContact OG-O 3.19Å; R165-T169 WeakPolarHBondContact CD-O 3.46Å; R165-T169 WeakPolarHBondContact CD-OG1 3.37Å; D167-T169 HydrophobicContact CB-CG2 4.24Å; D167-T169 PolarHBondContact O-N 2.87Å; D167-T169 WeakPolarHBondContact OD1-CB 3.28Å; D167-T169 PolarHBondContact OD1-N 3.42Å; D167-T169 VanDerWaalsContact OD1-N 3.08Å; D167-T169 PolarHBondContact OD1-OG1 2.97Å; D167-T169 WeakPolarHBondContact OD2-CG2 3.34Å; D167-T169 PolarHBondContact OD2-OG1 2.75Å; D167-T169 VanDerWaalsContact OD2-OG1 3.05Å; T169-T185 HydrophobicContact CG2-CG2 4.24Å; T169-H186 WeakPolarHBondContact CA-O 3.15Å; T169-F187 HydrophobicContact CG2-CD1 3.7Å; T169-F187 HydrophobicContact CG2-CE1 3.66Å |
| 170 | C | 89.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 156 | 165.6 | 79.9 | 0 | 0 | 0 | 0 | 110.8 | L160 T185 H186 L249 T252 I255 | L160-C170 HydrophobicContact CD2-CB 4.38Å; C170-T185 WeakPolarHBondContact O-CA 3.35Å; C170-H186 PolarHBondContact N-O 2.87Å; C170-H186 PolarHBondContact O-N 3.38Å; C170-L249 HydrophobicContact CB-CD1 4.09Å; C170-T252 HydrophobicContact CB-CG2 3.8Å; C170-I255 HydrophobicContact CB-CG2 3.62Å |
| 171 | H | 88.1 | Confident | 77.5 | Confident | 6 Ų | 6 | 27.9 Ų | 27.9 | 3% | 0.028 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 134.2 | 175.9 | -56.2 | -77 | 0 | 0 | 0 | 110.8 | R165 L183 K184 T185 K250 N251 T252 | R165-H171 VanDerWaalsContact CZ-NE2 3.35Å; R165-H171 PolarHBondContact NH1-NE2 3.33Å; R165-H171 PolarHBondContact NH2-CD2 3.14Å; H171-L183 HydrophobicContact CB-CB 4.36Å; H171-K184 WeakPolarHBondContact CA-O 3.25Å; H171-T185 PolarHBondContact CE1-OG1 3.01Å; H171-T185 PolarHBondContact ND1-OG1 3.09Å; H171-T185 VanDerWaalsContact ND1-OG1 3.08Å; H171-K250 WeakPolarHBondContact CB-O 3.43Å; H171-K250 PolarHBondContact O-N 3.23Å; H171-N251 HydrophobicContact CB-CB 4.46Å; H171-T252 PolarHBondContact N-OG1 3.18Å |
| 172 | I | 88.1 | Confident | 76.3 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 152.7 | 176.1 | 71.8 | 172.6 | 0 | 0 | 0 | 110.5 | F154 T174 L183 K184 H186 L243 A247 R248 L249 | F154-I172 HydrophobicContact CE2-CB 4.21Å; F154-I172 HydrophobicContact CE2-CG2 3.6Å; F154-I172 HydrophobicContact CZ-CG2 3.71Å; I172-T174 HydrophobicContact CD1-CG2 3.89Å; I172-T174 HydrophobicContact CG1-CG2 4.28Å; I172-L183 WeakPolarHBondContact O-CA 3.25Å; I172-K184 HydrophobicContact CG1-CB 4.15Å; I172-K184 PolarHBondContact N-O 3.07Å; I172-K184 PolarHBondContact O-N 3.22Å; I172-H186 WeakPolarHBondContact CD1-NE2 3.34Å; I172-L243 HydrophobicContact CD1-CD2 4.46Å; I172-L243 HydrophobicContact CG2-CD2 3.98Å; I172-A247 HydrophobicContact CD1-CB 4.18Å; I172-R248 CarbonylContact C-O 3.55Å; I172-R248 VanDerWaalsContact CA-O 3.28Å; I172-R248 WeakPolarHBondContact CA-O 3.38Å; I172-L249 HydrophobicContact CG2-CD1 4.34Å |
| 173 | T | 82.4 | Confident | 75.5 | Confident | 18 Ų | 18 | 31.3 Ų | 31.3 | 11% | 0.11 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 127.4 | 163.2 | 178 | 0 | 0 | 0 | 0 | 109.2 | A175 A247 R248 K250 | T173-A175 VanDerWaalsContact C-N 3.35Å; T173-A175 PolarHBondContact OG1-N 3.02Å; T173-A247 WeakPolarHBondContact O-CA 3.49Å; T173-A247 WeakPolarHBondContact O-CB 3.32Å; T173-R248 HydrophobicContact CG2-CB 3.67Å; T173-R248 PolarHBondContact N-O 2.9Å; T173-R248 PolarHBondContact O-N 3.06Å; T173-K250 HydrophobicContact CG2-CG 3.72Å |
| 174 | T | 75.6 | Confident | 74.9 | Confident | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | trans | -97 | 14.1 | 177.1 | 52.6 | 0 | 0 | 0 | 0 | 112.1 | I172 S176 L177 D178 E180 K184 A247 | I172-T174 HydrophobicContact CD1-CG2 3.89Å; I172-T174 HydrophobicContact CG1-CG2 4.28Å; T174-S176 PolarHBondContact O-N 2.87Å; T174-L177 WeakPolarHBondContact O-CA 3.22Å; T174-L177 WeakPolarHBondContact O-CB 3.47Å; T174-L177 PolarHBondContact O-N 2.93Å; T174-D178 VanDerWaalsContact C-OD1 3.27Å; T174-D178 WeakPolarHBondContact CB-OD1 3.37Å; T174-D178 WeakPolarHBondContact CB-OD2 3.32Å; T174-D178 PolarHBondContact O-N 2.77Å; T174-D178 PolarHBondContact OG1-OD1 3.37Å; T174-D178 PolarHBondContact OG1-OD2 2.95Å; T174-E180 CarbonylContact C-O 3.54Å; T174-K184 HydrophobicContact CG2-CD 4.12Å; T174-K184 WeakPolarHBondContact OG1-CE 3.42Å; T174-K184 PolarHBondContact OG1-NZ 2.76Å; T174-A247 HydrophobicContact CG2-CB 4.13Å | ||
| 175 | A | 66.1 | Low | 74.8 | Confident | 13 Ų | 13 | 33.3 Ų | 33.3 | 11% | 0.107 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | -34.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T173 L177 G179 E180 T181 E817 G818 | T173-A175 VanDerWaalsContact C-N 3.35Å; T173-A175 PolarHBondContact OG1-N 3.02Å; A175-L177 VanDerWaalsContact C-N 3.28Å; A175-L177 PolarHBondContact O-N 2.85Å; A175-G179 VanDerWaalsContact O-CA 3.32Å; A175-G179 WeakPolarHBondContact O-CA 3.46Å; A175-G179 PolarHBondContact O-N 3.1Å; A175-E180 WeakPolarHBondContact CA-O 3.49Å; A175-E180 PolarHBondContact N-O 3.45Å; A175-T181 HydrophobicContact CB-CG2 4.32Å; A175-E817 CarbonylContact O-C 3.55Å; A175-G818 VanDerWaalsContact O-CA 3.32Å; A175-G818 WeakPolarHBondContact O-CA 3.45Å |
| 176 | S | 63.8 | Low | 75.1 | Confident | 42 Ų | 42 | 31 Ų | 31 | 29% | 0.294 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -0.2 | 177.6 | -63.1 | 0 | 0 | 0 | 0 | 114.9 | T174 G246 Q820 | T174-S176 PolarHBondContact O-N 2.87Å; S176-G246 VanDerWaalsContact CB-O 3.27Å; S176-G246 WeakPolarHBondContact CB-O 3.33Å; S176-Q820 VanDerWaalsContact O-CD 3.28Å; S176-Q820 WeakPolarHBondContact O-CG 3.1Å; S176-Q820 PolarHBondContact O-NE2 2.79Å |
| 177 | L | 67.1 | Low | 75.7 | Confident | 10 Ų | 10 | 30.7 Ų | 30.7 | 5% | 0.052 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | -51.7 | -175.6 | -70.2 | 172.5 | 0 | 0 | 0 | 113.6 | T174 A175 L244 R245 A247 M268 A798 | T174-L177 WeakPolarHBondContact O-CA 3.22Å; T174-L177 WeakPolarHBondContact O-CB 3.47Å; T174-L177 PolarHBondContact O-N 2.93Å; A175-L177 VanDerWaalsContact C-N 3.28Å; A175-L177 PolarHBondContact O-N 2.85Å; L177-L244 HydrophobicContact CD1-CB 3.39Å; L177-L244 HydrophobicContact CD1-CD1 3.97Å; L177-L244 HydrophobicContact CD1-CG 4.34Å; L177-R245 WeakPolarHBondContact CD2-O 3.31Å; L177-A247 HydrophobicContact CD1-CB 3.86Å; L177-M268 HydrophobicContact CD2-CB 3.7Å; L177-M268 HydrophobicContact CD2-CG 3.54Å; L177-M268 HydrophobicContact CD2-SD 3.66Å; L177-A798 WeakPolarHBondContact O-CB 3.44Å |
| 178 | D | 60.4 | Low | 76.4 | Confident | 6 Ų | 6 | 26.5 Ų | 26.5 | 3% | 0.032 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | -22.9 | 179.5 | 52.5 | 18.2 | 0 | 0 | 0 | 112.2 | T174 E180 K184 Y218 A798 | T174-D178 VanDerWaalsContact C-OD1 3.27Å; T174-D178 WeakPolarHBondContact CB-OD1 3.37Å; T174-D178 WeakPolarHBondContact CB-OD2 3.32Å; T174-D178 PolarHBondContact O-N 2.77Å; T174-D178 PolarHBondContact OG1-OD1 3.37Å; T174-D178 PolarHBondContact OG1-OD2 2.95Å; D178-E180 WeakPolarHBondContact OD1-CB 3.2Å; D178-E180 PolarHBondContact OD1-N 2.83Å; D178-K184 IonicContact OD2-NZ 2.87Å; D178-K184 PolarHBondContact OD2-NZ 3.05Å; D178-Y218 WeakPolarHBondContact CB-OH 3.49Å; D178-Y218 PolarHBondContact OD2-OH 3.47Å; D178-A798 PolarHBondContact O-N 3.45Å |
| 179 | G | 53 | Low | 76.6 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | 104.3 | -10.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A175 T181 E817 | A175-G179 VanDerWaalsContact O-CA 3.32Å; A175-G179 WeakPolarHBondContact O-CA 3.46Å; A175-G179 PolarHBondContact O-N 3.1Å; G179-T181 PolarHBondContact O-N 2.93Å; G179-T181 VanDerWaalsContact O-N 3.17Å; G179-E817 WeakPolarHBondContact CA-O 3.48Å; G179-E817 WeakPolarHBondContact O-CA 3.36Å; G179-E817 WeakPolarHBondContact O-CB 3.44Å; G179-E817 WeakPolarHBondContact O-CG 3.44Å | ||
| 180 | E | 63.3 | Low | 76.5 | Confident | 70 Ų | 70 | 30.8 Ų | 30.8 | 33% | 0.327 | 17% | 0.171 | S | C | . | . | trans | -72.1 | 117 | -175.2 | -62.7 | -178.5 | -173.1 | 0 | 0 | 111.4 | T174 A175 D178 N182 K184 | T174-E180 CarbonylContact C-O 3.54Å; A175-E180 WeakPolarHBondContact CA-O 3.49Å; A175-E180 PolarHBondContact N-O 3.45Å; D178-E180 WeakPolarHBondContact OD1-CB 3.2Å; D178-E180 PolarHBondContact OD1-N 2.83Å; E180-N182 VanDerWaalsContact C-N 3.3Å; E180-K184 WeakPolarHBondContact OE2-CE 3.34Å; E180-K184 IonicContact OE2-NZ 3.2Å; E180-K184 PolarHBondContact OE2-NZ 3.17Å | ||
| 181 | T | 59.4 | Low | 76.2 | Confident | 60 Ų | 60 | 32.1 Ų | 32.1 | 37% | 0.368 | 18% | 0.177 | S | C | . | . | trans | -79.7 | -14.6 | 177.4 | 53.6 | 0 | 0 | 0 | 0 | 113.2 | A175 G179 E817 | A175-T181 HydrophobicContact CB-CG2 4.32Å; G179-T181 PolarHBondContact O-N 2.93Å; G179-T181 VanDerWaalsContact O-N 3.17Å; T181-E817 HydrophobicContact CG2-CG 4.27Å | ||
| 182 | N | 67.9 | Low | 76 | Confident | 48 Ų | 48 | 32 Ų | 32 | 26% | 0.257 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -65.3 | 146.9 | 179 | -63.3 | -31.1 | 0 | 0 | 0 | 110.7 | E180 A502 | E180-N182 VanDerWaalsContact C-N 3.3Å; N182-A502 PolarHBondContact ND2-O 2.74Å; N182-A502 VanDerWaalsContact ND2-O 3.07Å |
| 183 | L | 75.3 | Confident | 75.7 | Confident | 28 Ų | 28 | 33 Ų | 33 | 15% | 0.147 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 123.1 | 176.2 | -63.6 | -177.6 | 0 | 0 | 0 | 109.4 | H171 I172 K250 N251 Y500 | H171-L183 HydrophobicContact CB-CB 4.36Å; I172-L183 WeakPolarHBondContact O-CA 3.25Å; L183-K250 HydrophobicContact CD1-CB 4.45Å; L183-K250 HydrophobicContact CD2-CB 3.47Å; L183-K250 VanDerWaalsContact CD2-CB 3.47Å; L183-K250 HydrophobicContact CD2-CG 3.77Å; L183-N251 HydrophobicContact CD1-CB 4.48Å; L183-N251 WeakPolarHBondContact CD1-ND2 3.33Å; L183-Y500 HydrophobicContact CD1-CD1 3.62Å; L183-Y500 HydrophobicContact CD1-CE1 4.3Å; L183-Y500 HydrophobicContact CD1-CG 4.13Å; L183-Y500 HydrophobicContact CG-CD1 4.23Å |
| 184 | K | 79.6 | Confident | 75.4 | Confident | 50 Ų | 50 | 36.7 Ų | 36.7 | 22% | 0.217 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 131.1 | 174.1 | -62.2 | -178.6 | -176.1 | -178.1 | 0 | 108.9 | H171 I172 T174 D178 E180 | H171-K184 WeakPolarHBondContact CA-O 3.25Å; I172-K184 HydrophobicContact CG1-CB 4.15Å; I172-K184 PolarHBondContact N-O 3.07Å; I172-K184 PolarHBondContact O-N 3.22Å; T174-K184 HydrophobicContact CG2-CD 4.12Å; T174-K184 WeakPolarHBondContact OG1-CE 3.42Å; T174-K184 PolarHBondContact OG1-NZ 2.76Å; D178-K184 IonicContact OD2-NZ 2.87Å; D178-K184 PolarHBondContact OD2-NZ 3.05Å; E180-K184 WeakPolarHBondContact OE2-CE 3.34Å; E180-K184 IonicContact OE2-NZ 3.2Å; E180-K184 PolarHBondContact OE2-NZ 3.17Å |
| 185 | T | 84.1 | Confident | 75.5 | Confident | 58 Ų | 58 | 37.1 Ų | 37.1 | 36% | 0.356 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 128.6 | 175.8 | -51.3 | 0 | 0 | 0 | 0 | 109.8 | T169 C170 H171 F187 | T169-T185 HydrophobicContact CG2-CG2 4.24Å; C170-T185 WeakPolarHBondContact O-CA 3.35Å; H171-T185 PolarHBondContact CE1-OG1 3.01Å; H171-T185 PolarHBondContact ND1-OG1 3.09Å; H171-T185 VanDerWaalsContact ND1-OG1 3.08Å; T185-F187 HydrophobicContact CG2-CE1 4.28Å; T185-F187 HydrophobicContact CG2-CE2 4.28Å; T185-F187 HydrophobicContact CG2-CZ 3.92Å |
| 186 | H | 89.3 | Confident | 76.1 | Confident | 20 Ų | 20 | 41 Ų | 41 | 9% | 0.093 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 151.3 | 175.2 | -76.5 | -103.1 | 0 | 0 | 0 | 110.2 | L160 T169 C170 I172 P239 E240 L242 L243 | L160-H186 HydrophobicContact CD2-CB 4.35Å; T169-H186 WeakPolarHBondContact CA-O 3.15Å; C170-H186 PolarHBondContact N-O 2.87Å; C170-H186 PolarHBondContact O-N 3.38Å; I172-H186 WeakPolarHBondContact CD1-NE2 3.34Å; H186-P239 PolarHBondContact CE1-O 3.49Å; H186-E240 CarbonylContact C-O 3.54Å; H186-E240 VanDerWaalsContact CA-O 3.25Å; H186-E240 WeakPolarHBondContact CA-O 3.1Å; H186-E240 VanDerWaalsContact CB-O 3.25Å; H186-E240 WeakPolarHBondContact CB-O 3.02Å; H186-E240 PolarHBondContact ND1-O 3.09Å; H186-L242 PolarHBondContact CE1-O 3.19Å; H186-L242 PolarHBondContact ND1-O 2.6Å; H186-L243 HydrophobicContact CB-CD2 3.87Å |
| 187 | F | 88.9 | Confident | 77 | Confident | 99 Ų | 99 | 40.9 Ų | 40.9 | 43% | 0.434 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 135.8 | -171.1 | -59.6 | -89 | 0 | 0 | 0 | 111.4 | T169 T185 E240 N241 | T169-F187 HydrophobicContact CG2-CD1 3.7Å; T169-F187 HydrophobicContact CG2-CE1 3.66Å; T185-F187 HydrophobicContact CG2-CE1 4.28Å; T185-F187 HydrophobicContact CG2-CE2 4.28Å; T185-F187 HydrophobicContact CG2-CZ 3.92Å; F187-E240 HydrophobicContact CD2-CB 4.24Å; F187-E240 PolarHBondContact N-O 2.88Å; F187-N241 PolarHBondContact O-ND2 2.95Å |
| 188 | S | 91.9 | Very high | 77.7 | Confident | 14 Ų | 14 | 42.2 Ų | 42.2 | 10% | 0.098 | 23% | 0.233 | C | C | . | . | trans | -80.4 | 162.3 | 165.2 | 59.4 | 0 | 0 | 0 | 0 | 110.8 | L161 G168 S193 | L161-S188 VanDerWaalsContact O-CB 3.3Å; L161-S188 WeakPolarHBondContact O-CB 3.42Å; G168-S188 WeakPolarHBondContact CA-OG 3.3Å; G168-S188 WeakPolarHBondContact O-CB 3.31Å; G168-S188 PolarHBondContact O-N 3.04Å; G168-S188 PolarHBondContact O-OG 3.18Å; S188-S193 WeakPolarHBondContact OG-CB 3.4Å | ||
| 189 | V | 87.8 | Confident | 78.8 | Confident | 8 Ų | 8 | 45.8 Ų | 45.8 | 5% | 0.048 | 26% | 0.258 | C | S | . | . | trans | -77.4 | 137.7 | 173.9 | 178.6 | 0 | 0 | 0 | 0 | 108.7 | E191 T192 S193 V224 R235 L237 | V189-E191 WeakPolarHBondContact CG1-OE2 3.34Å; V189-E191 PolarHBondContact O-N 3.03Å; V189-E191 VanDerWaalsContact O-N 3.11Å; V189-T192 PolarHBondContact O-N 3.1Å; V189-T192 PolarHBondContact O-OG1 3.43Å; V189-T192 VanDerWaalsContact O-OG1 3.1Å; V189-S193 PolarHBondContact O-N 3.04Å; V189-V224 HydrophobicContact CG1-CG1 4.25Å; V189-V224 HydrophobicContact CG2-CG1 3.94Å; V189-R235 HydrophobicContact CG1-CB 3.83Å; V189-R235 HydrophobicContact CG1-CG 3.65Å; V189-L237 HydrophobicContact CG2-CD2 3.81Å | ||
| 190 | P | 83.9 | Confident | 80.2 | Confident | 93 Ų | 93 | 50.2 Ų | 50.2 | 60% | 0.604 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -55.3 | -34.5 | -173.2 | -27.7 | 35.1 | 0 | 0 | 0 | 114.3 | T192 S193 | P190-T192 VanDerWaalsContact C-N 3.29Å; P190-T192 PolarHBondContact O-N 3.28Å; P190-S193 PolarHBondContact O-OG 2.8Å |
| 191 | E | 84.3 | Confident | 81.2 | Confident | 28 Ų | 28 | 46.9 Ų | 46.9 | 13% | 0.131 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.9 | -23.4 | -179.4 | -66.5 | 77.3 | -174.2 | 0 | 0 | 113.2 | V189 Q228 I233 R235 | V189-E191 WeakPolarHBondContact CG1-OE2 3.34Å; V189-E191 PolarHBondContact O-N 3.03Å; V189-E191 VanDerWaalsContact O-N 3.11Å; E191-Q228 PolarHBondContact O-NE2 3.22Å; E191-Q228 VanDerWaalsContact O-NE2 3.15Å; E191-I233 HydrophobicContact CG-CD1 4.19Å; E191-I233 HydrophobicContact CG-CG2 4.26Å; E191-R235 IonicContact OE1-CZ 3.82Å; E191-R235 IonicContact OE1-NE 3.03Å; E191-R235 PolarHBondContact OE1-NE 2.69Å; E191-R235 IonicContact OE1-NH2 2.87Å; E191-R235 PolarHBondContact OE1-NH2 2.94Å; E191-R235 IonicContact OE2-NE 3.97Å; E191-R235 PolarHBondContact OE2-NE 2.86Å |
| 192 | T | 84.2 | Confident | 82.1 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -104.7 | -16.8 | 179.9 | 61.3 | 0 | 0 | 0 | 0 | 113.2 | L161 V189 P190 V194 C195 L204 V226 | L161-T192 CarbonylContact O-C 3.45Å; L161-T192 VanDerWaalsContact O-CB 3.25Å; L161-T192 WeakPolarHBondContact O-CB 3.43Å; L161-T192 PolarHBondContact O-OG1 2.74Å; V189-T192 PolarHBondContact O-N 3.1Å; V189-T192 PolarHBondContact O-OG1 3.43Å; V189-T192 VanDerWaalsContact O-OG1 3.1Å; P190-T192 VanDerWaalsContact C-N 3.29Å; P190-T192 PolarHBondContact O-N 3.28Å; T192-V194 PolarHBondContact O-N 2.96Å; T192-V194 VanDerWaalsContact O-N 3.15Å; T192-C195 VanDerWaalsContact O-CB 3.3Å; T192-C195 WeakPolarHBondContact O-CB 3.41Å; T192-C195 PolarHBondContact O-N 3.42Å; T192-L204 HydrophobicContact CG2-CD1 4.29Å; T192-L204 HydrophobicContact CG2-CD2 4.23Å; T192-V226 HydrophobicContact CG2-CG2 4.05Å |
| 193 | S | 81.7 | Confident | 82.8 | Confident | 22 Ų | 22 | 48.1 Ų | 48.1 | 15% | 0.154 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.6 | -29.6 | -177.7 | 69.5 | 0 | 0 | 0 | 0 | 113.4 | S188 V189 P190 C195 | S188-S193 WeakPolarHBondContact OG-CB 3.4Å; V189-S193 PolarHBondContact O-N 3.04Å; P190-S193 PolarHBondContact O-OG 2.8Å; S193-C195 VanDerWaalsContact C-N 3.3Å; S193-C195 PolarHBondContact O-N 3.14Å |
| 194 | V | 75.9 | Confident | 83.3 | Confident | 97 Ų | 97 | 47.3 Ų | 47.3 | 59% | 0.588 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -13 | 177.1 | -70.8 | 0 | 0 | 0 | 0 | 114.1 | T192 Q196 Q200 | T192-V194 PolarHBondContact O-N 2.96Å; T192-V194 VanDerWaalsContact O-N 3.15Å; V194-Q196 VanDerWaalsContact C-N 3.34Å; V194-Q196 PolarHBondContact O-N 2.63Å; V194-Q200 PolarHBondContact O-OE1 3.11Å |
| 195 | C | 78.1 | Confident | 83.7 | Confident | 12 Ų | 12 | 50.2 Ų | 50.2 | 8% | 0.081 | 29% | 0.285 | C | S | . | . | trans | -82.4 | 74.1 | -178.7 | -60.7 | 0 | 0 | 0 | 0 | 111.3 | S162 T192 S193 Q200 L201 | S162-C195 VanDerWaalsContact CB-O 3.29Å; S162-C195 WeakPolarHBondContact CB-O 3.38Å; S162-C195 PolarHBondContact OG-O 3.08Å; T192-C195 VanDerWaalsContact O-CB 3.3Å; T192-C195 WeakPolarHBondContact O-CB 3.41Å; T192-C195 PolarHBondContact O-N 3.42Å; S193-C195 VanDerWaalsContact C-N 3.3Å; S193-C195 PolarHBondContact O-N 3.14Å; C195-Q200 HydrophobicContact CB-CB 4.26Å; C195-L201 HydrophobicContact CB-CD2 3.77Å; C195-L201 HydrophobicContact CB-CG 4.15Å | ||
| 196 | Q | 77.6 | Confident | 84 | Confident | 95 Ų | 95 | 47.8 Ų | 47.8 | 44% | 0.444 | 27% | 0.271 | S | S | . | . | trans | -94.1 | -14.9 | -178.4 | -65.8 | -175.8 | -19.7 | 0 | 0 | 113.7 | S163 V194 | S163-Q196 PolarHBondContact O-NE2 3.03Å; S163-Q196 VanDerWaalsContact O-NE2 3.08Å; V194-Q196 VanDerWaalsContact C-N 3.34Å; V194-Q196 PolarHBondContact O-N 2.63Å | ||
| 197 | S | 83 | Confident | 84.1 | Confident | 39 Ų | 39 | 48.4 Ų | 48.4 | 27% | 0.273 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -98.9 | 147.5 | 177.3 | 66.4 | 0 | 0 | 0 | 0 | 112.5 | S199 Q200 L201 | S197-S199 PolarHBondContact O-N 3.08Å; S197-S199 PolarHBondContact OG-OG 3.22Å; S197-Q200 PolarHBondContact O-N 2.87Å; S197-Q200 VanDerWaalsContact O-N 3.1Å; S197-Q200 WeakPolarHBondContact OG-CB 3.05Å; S197-Q200 WeakPolarHBondContact OG-CG 3.46Å; S197-Q200 PolarHBondContact OG-N 3.04Å; S197-Q200 PolarHBondContact OG-OE1 3.24Å; S197-L201 PolarHBondContact O-N 3.19Å |
| 198 | V | 82.9 | Confident | 84.3 | Confident | 38 Ų | 38 | 43.7 Ų | 43.7 | 23% | 0.23 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.3 | -37.7 | 176.7 | -179.1 | 0 | 0 | 0 | 0 | 111.6 | V127 L201 E202 | V127-V198 HydrophobicContact CG1-CG1 3.69Å; V127-V198 HydrophobicContact CG2-CG1 4.32Å; V198-L201 PolarHBondContact O-N 3.15Å; V198-E202 WeakPolarHBondContact O-CB 3.45Å; V198-E202 PolarHBondContact O-N 3.44Å |
| 199 | S | 82 | Confident | 84.2 | Confident | 81 Ų | 81 | 45.6 Ų | 45.6 | 57% | 0.566 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -65.2 | -39.4 | 176.8 | 42.4 | 0 | 0 | 0 | 0 | 113.4 | S197 A203 | S197-S199 PolarHBondContact O-N 3.08Å; S197-S199 PolarHBondContact OG-OG 3.22Å; S199-A203 WeakPolarHBondContact O-CB 3.39Å; S199-A203 PolarHBondContact O-N 3.38Å |
| 200 | Q | 83.1 | Confident | 84.3 | Confident | 93 Ų | 93 | 45.4 Ų | 45.4 | 44% | 0.435 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -70.8 | -39.4 | 176.1 | -75.2 | 165.3 | -26.5 | 0 | 0 | 111.5 | V194 C195 S197 E202 A203 L204 | V194-Q200 PolarHBondContact O-OE1 3.11Å; C195-Q200 HydrophobicContact CB-CB 4.26Å; S197-Q200 PolarHBondContact O-N 2.87Å; S197-Q200 VanDerWaalsContact O-N 3.1Å; S197-Q200 WeakPolarHBondContact OG-CB 3.05Å; S197-Q200 WeakPolarHBondContact OG-CG 3.46Å; S197-Q200 PolarHBondContact OG-N 3.04Å; S197-Q200 PolarHBondContact OG-OE1 3.24Å; Q200-E202 VanDerWaalsContact C-N 3.3Å; Q200-E202 PolarHBondContact O-N 2.91Å; Q200-A203 PolarHBondContact O-N 2.99Å; Q200-L204 PolarHBondContact O-N 3.11Å |
| 201 | L | 83.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.1 | -33.6 | 176.2 | -71.6 | 166.3 | 0 | 0 | 0 | 112.1 | I145 L161 C195 S197 V198 L204 F256 | I145-L201 HydrophobicContact CD1-CB 4.25Å; L161-L201 HydrophobicContact CD1-CD2 4.36Å; C195-L201 HydrophobicContact CB-CD2 3.77Å; C195-L201 HydrophobicContact CB-CG 4.15Å; S197-L201 PolarHBondContact O-N 3.19Å; V198-L201 PolarHBondContact O-N 3.15Å; L201-L204 WeakPolarHBondContact O-CB 3.42Å; L201-F256 HydrophobicContact CD1-CB 3.79Å; L201-F256 HydrophobicContact CD1-CD1 3.44Å; L201-F256 VanDerWaalsContact CD1-CD1 3.44Å; L201-F256 HydrophobicContact CD1-CD2 3.63Å; L201-F256 HydrophobicContact CD1-CE1 3.82Å; L201-F256 HydrophobicContact CD1-CE2 3.99Å; L201-F256 HydrophobicContact CD1-CG 3.33Å; L201-F256 HydrophobicContact CD1-CZ 4.08Å; L201-F256 HydrophobicContact CD2-CB 4.32Å |
| 202 | E | 79.8 | Confident | 84.7 | Confident | 66 Ų | 66 | 42.4 Ų | 42.4 | 31% | 0.308 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -71.3 | -36.7 | 171.4 | -178.3 | 171.9 | -134.4 | 0 | 0 | 112.1 | R27 G130 V198 Q200 L204 | R27-E202 PolarHBondContact NH1-O 3.21Å; R27-E202 PolarHBondContact NH2-O 3.04Å; G130-E202 WeakPolarHBondContact CA-OE1 3.22Å; G130-E202 WeakPolarHBondContact CA-OE2 3.49Å; G130-E202 PolarHBondContact N-OE1 3.23Å; G130-E202 PolarHBondContact N-OE2 3.01Å; V198-E202 WeakPolarHBondContact O-CB 3.45Å; V198-E202 PolarHBondContact O-N 3.44Å; Q200-E202 VanDerWaalsContact C-N 3.3Å; Q200-E202 PolarHBondContact O-N 2.91Å; E202-L204 PolarHBondContact O-N 3.04Å |
| 203 | A | 83.1 | Confident | 84.9 | Confident | 68 Ų | 68 | 43.7 Ų | 43.7 | 56% | 0.562 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -71.5 | -19.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S199 Q200 Q205 | S199-A203 WeakPolarHBondContact O-CB 3.39Å; S199-A203 PolarHBondContact O-N 3.38Å; Q200-A203 PolarHBondContact O-N 2.99Å; A203-Q205 PolarHBondContact O-N 3.49Å |
| 204 | L | 85.7 | Confident | 85 | Confident | 11 Ų | 11 | 46.4 Ų | 46.4 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | trans | -60 | 121.7 | -176.5 | -175 | 65.1 | 0 | 0 | 0 | 112.2 | V24 L161 T192 Q200 L201 E202 A206 V226 | V24-L204 HydrophobicContact CG1-CD2 4.38Å; L161-L204 HydrophobicContact CD1-CD2 4.36Å; T192-L204 HydrophobicContact CG2-CD1 4.29Å; T192-L204 HydrophobicContact CG2-CD2 4.23Å; Q200-L204 PolarHBondContact O-N 3.11Å; L201-L204 WeakPolarHBondContact O-CB 3.42Å; E202-L204 PolarHBondContact O-N 3.04Å; L204-A206 HydrophobicContact CD1-CB 4.43Å; L204-A206 HydrophobicContact CD2-CB 4.34Å; L204-A206 HydrophobicContact CG-CB 4.08Å; L204-V226 HydrophobicContact CD1-CG1 3.91Å | ||
| 205 | Q | 87.9 | Confident | 85 | Confident | 110 Ų | 110 | 44 Ų | 44 | 51% | 0.514 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 104.4 | 168 | -71.4 | -177.7 | -8.7 | 0 | 0 | 108.4 | A203 T227 | A203-Q205 PolarHBondContact O-N 3.49Å; Q205-T227 PolarHBondContact O-N 2.97Å |
| 206 | A | 89.6 | Confident | 84.8 | Confident | 7 Ų | 7 | 47.1 Ų | 47.1 | 6% | 0.058 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 145.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V24 L204 V224 T225 V226 | V24-A206 HydrophobicContact CB-CB 4.23Å; V24-A206 WeakPolarHBondContact CB-O 3.25Å; V24-A206 HydrophobicContact CG2-CB 3.78Å; V24-A206 VanDerWaalsContact CG2-O 3.32Å; V24-A206 WeakPolarHBondContact CG2-O 3.41Å; V24-A206 PolarHBondContact N-O 3.04Å; L204-A206 HydrophobicContact CD1-CB 4.43Å; L204-A206 HydrophobicContact CD2-CB 4.34Å; L204-A206 HydrophobicContact CG-CB 4.08Å; A206-V224 HydrophobicContact CB-CG2 4.29Å; A206-T225 CarbonylContact C-O 3.59Å; A206-T225 VanDerWaalsContact CA-O 3.25Å; A206-T225 WeakPolarHBondContact CA-O 3.34Å; A206-V226 HydrophobicContact CB-CG2 4.24Å |
| 207 | V | 91.7 | Very high | 84.7 | Confident | 33 Ų | 33 | 44.2 Ų | 44.2 | 20% | 0.2 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 126.8 | 178 | -176 | 0 | 0 | 0 | 0 | 108.5 | T21 Y23 V224 T225 | T21-V207 HydrophobicContact CG2-CG1 3.48Å; T21-V207 VanDerWaalsContact CG2-CG1 3.48Å; Y23-V207 HydrophobicContact CD1-CG1 4.41Å; Y23-V207 HydrophobicContact CD1-CG2 3.69Å; Y23-V207 HydrophobicContact CE1-CG1 4.21Å; Y23-V207 HydrophobicContact CE1-CG2 3.69Å; V207-V224 CarbonylContact O-C 3.52Å; V207-V224 WeakPolarHBondContact O-CA 3.36Å; V207-T225 PolarHBondContact N-O 3.49Å; V207-T225 PolarHBondContact O-N 2.95Å |
| 208 | V | 91.8 | Very high | 84.5 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 122.2 | 176 | 177.1 | 0 | 0 | 0 | 0 | 108.8 | V22 V24 R223 V224 L237 V258 V260 | V22-V208 HydrophobicContact CB-CB 4.3Å; V22-V208 PolarHBondContact N-O 3.41Å; V22-V208 PolarHBondContact O-N 3.3Å; V24-V208 HydrophobicContact CG2-CG2 4.38Å; V208-R223 WeakPolarHBondContact CA-O 3.26Å; V208-V224 HydrophobicContact CG2-CB 4.33Å; V208-V224 HydrophobicContact CG2-CG2 3.98Å; V208-L237 HydrophobicContact CG1-CD1 3.77Å; V208-V258 HydrophobicContact CG2-CG1 4.24Å; V208-V260 HydrophobicContact CG1-CG1 4.12Å |
| 209 | E | 90.3 | Very high | 84.3 | Confident | 54 Ų | 54 | 52.5 Ų | 52.5 | 25% | 0.252 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 127 | 171.1 | -68.2 | -176 | 168.5 | 0 | 0 | 109.4 | R20 T21 G222 R223 | R20-E209 WeakPolarHBondContact O-CA 3.46Å; T21-E209 HydrophobicContact CG2-CG 3.95Å; E209-G222 CarbonylContact O-C 3.53Å; E209-G222 WeakPolarHBondContact O-CA 3.37Å; E209-R223 HydrophobicContact CB-CG 3.97Å; E209-R223 PolarHBondContact N-O 3.4Å; E209-R223 PolarHBondContact O-N 3.17Å; E209-R223 IonicContact OE1-NH2 3.88Å; E209-R223 IonicContact OE2-CZ 2.83Å; E209-R223 IonicContact OE2-NE 2.82Å; E209-R223 PolarHBondContact OE2-NE 3.42Å; E209-R223 IonicContact OE2-NH2 3.37Å; E209-R223 PolarHBondContact OE2-NH2 2.91Å |
| 210 | C | 89.3 | Confident | 84.6 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.02 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 165.2 | -178.1 | 54.5 | 0 | 0 | 0 | 0 | 111.8 | T19 R20 F220 | T19-C210 CarbonylContact C-O 3.51Å; T19-C210 WeakPolarHBondContact CA-O 3.39Å; R20-C210 VanDerWaalsContact CG-SG 3.51Å; R20-C210 PolarHBondContact N-O 3.43Å; R20-C210 PolarHBondContact O-N 3.41Å; C210-F220 HydrophobicContact CB-CE2 3.82Å; C210-F220 HydrophobicContact CB-CZ 3.8Å |
| 211 | Q | 89.2 | Confident | 84.6 | Confident | 23 Ų | 23 | 48.6 Ų | 48.6 | 11% | 0.107 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 162.4 | 173.6 | 59.2 | 175.6 | 67.8 | 0 | 0 | 112.3 | E214 V221 Y261 | Q211-E214 VanDerWaalsContact NE2-CD 3.29Å; Q211-E214 PolarHBondContact NE2-OE2 2.9Å; Q211-V221 PolarHBondContact N-O 2.95Å; Q211-V221 VanDerWaalsContact N-O 3.14Å; Q211-Y261 PolarHBondContact O-OH 3.3Å |
| 212 | Q | 88.9 | Confident | 84.9 | Confident | 36 Ų | 36 | 49.3 Ų | 49.3 | 17% | 0.168 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 154.4 | 166.4 | -69.8 | -62.6 | -9.1 | 0 | 0 | 111 | S17 E214 | S17-Q212 PolarHBondContact O-NE2 3.26Å; Q212-E214 PolarHBondContact O-N 3.28Å |
| 213 | P | 87.7 | Confident | 85.2 | Confident | 29 Ų | 29 | 52 Ų | 52 | 19% | 0.188 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -64 | 126.6 | -176.4 | 26.9 | -35.3 | 0 | 0 | 0 | 111.1 | Y261 E265 L270 | P213-Y261 HydrophobicContact CB-CD1 3.73Å; P213-Y261 HydrophobicContact CB-CE1 3.77Å; P213-Y261 HydrophobicContact CB-CG 4.27Å; P213-Y261 HydrophobicContact CG-CD1 4.31Å; P213-Y261 HydrophobicContact CG-CE1 4.35Å; P213-E265 HydrophobicContact CB-CB 4.37Å; P213-E265 VanDerWaalsContact CB-O 3.26Å; P213-E265 WeakPolarHBondContact CB-O 3.47Å; P213-E265 HydrophobicContact CG-CB 4.08Å; P213-E265 HydrophobicContact CG-CG 4.3Å; P213-L270 HydrophobicContact CB-CD1 3.88Å |
| 214 | E | 84.6 | Confident | 85.5 | Confident | 79 Ų | 79 | 49 Ų | 49 | 37% | 0.369 | 24% | 0.241 | S | C | . | . | trans | -118.3 | 155.5 | 177.6 | -70.5 | -179.5 | 161.9 | 0 | 0 | 110.1 | Q211 Q212 D216 R219 K267 | Q211-E214 VanDerWaalsContact NE2-CD 3.29Å; Q211-E214 PolarHBondContact NE2-OE2 2.9Å; Q212-E214 PolarHBondContact O-N 3.28Å; E214-D216 VanDerWaalsContact C-N 3.28Å; E214-D216 PolarHBondContact O-N 3.37Å; E214-R219 IonicContact OE2-NE 3.64Å; E214-K267 WeakPolarHBondContact O-CG 3.31Å | ||
| 215 | A | 74.6 | Confident | 85.7 | Confident | 45 Ų | 45 | 49.3 Ų | 49.3 | 37% | 0.372 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -73.1 | -15.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L217 L270 N271 | A215-L217 PolarHBondContact O-N 3.32Å; A215-L270 HydrophobicContact CB-CB 4.29Å; A215-N271 PolarHBondContact O-ND2 3.44Å |
| 216 | D | 74.4 | Confident | 85.8 | Confident | 79 Ų | 79 | 44.1 Ų | 44.1 | 42% | 0.422 | 22% | 0.219 | S | C | . | . | trans | -70.7 | 114.8 | 179.6 | -172.2 | -12.2 | 0 | 0 | 0 | 111.1 | E214 Y218 R219 K267 | E214-D216 VanDerWaalsContact C-N 3.28Å; E214-D216 PolarHBondContact O-N 3.37Å; D216-Y218 VanDerWaalsContact C-N 3.3Å; D216-Y218 PolarHBondContact O-N 3.32Å; D216-Y218 PolarHBondContact OD1-N 3.49Å; D216-R219 HydrophobicContact CB-CB 4.12Å; D216-K267 WeakPolarHBondContact O-CD 3.49Å; D216-K267 WeakPolarHBondContact O-CE 3.36Å; D216-K267 PolarHBondContact O-NZ 3.44Å | ||
| 217 | L | 76.8 | Confident | 85.7 | Confident | 33 Ų | 33 | 45.8 Ų | 45.8 | 17% | 0.173 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -63.8 | -34.1 | -178.4 | -63.4 | 174.4 | 0 | 0 | 0 | 112.3 | A215 L244 K267 | A215-L217 PolarHBondContact O-N 3.32Å; L217-L244 HydrophobicContact CB-CD1 4.32Å; L217-L244 HydrophobicContact CD2-CD1 4.23Å; L217-K267 HydrophobicContact CD2-CB 3.97Å; L217-K267 PolarHBondContact O-NZ 3.02Å |
| 218 | Y | 77.8 | Confident | 85 | Confident | 115 Ų | 115 | 47.5 Ų | 47.5 | 45% | 0.451 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -94.8 | -11.3 | -169 | -58.2 | -71.7 | 0 | 0 | 0 | 114.2 | D178 D216 P239 | D178-Y218 WeakPolarHBondContact CB-OH 3.49Å; D178-Y218 PolarHBondContact OD2-OH 3.47Å; D216-Y218 VanDerWaalsContact C-N 3.3Å; D216-Y218 PolarHBondContact O-N 3.32Å; D216-Y218 PolarHBondContact OD1-N 3.49Å; Y218-P239 VanDerWaalsContact O-CB 3.27Å; Y218-P239 WeakPolarHBondContact O-CB 3.45Å; Y218-P239 WeakPolarHBondContact O-CG 3.27Å |
| 219 | R | 79.1 | Confident | 84.3 | Confident | 136 Ų | 136 | 56.9 Ų | 56.9 | 51% | 0.513 | 28% | 0.278 | S | S | . | . | trans | -99.4 | 115.4 | 179.1 | -179.2 | 178.8 | 173.5 | 152.6 | -2.8 | 111.2 | E214 D216 K267 | E214-R219 IonicContact OE2-NE 3.64Å; D216-R219 HydrophobicContact CB-CB 4.12Å; R219-K267 PolarHBondContact O-NZ 2.98Å | ||
| 220 | F | 86.9 | Confident | 83.5 | Confident | 6 Ų | 6 | 57.7 Ų | 57.7 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | trans | -138.4 | 128 | 168.9 | -179.9 | -105.5 | 0 | 0 | 0 | 109.2 | V159 C210 L237 G238 P239 L242 Y261 | V159-F220 HydrophobicContact CG2-CE1 4.3Å; V159-F220 HydrophobicContact CG2-CZ 4.02Å; C210-F220 HydrophobicContact CB-CE2 3.82Å; C210-F220 HydrophobicContact CB-CZ 3.8Å; F220-L237 HydrophobicContact CD1-CB 4.41Å; F220-L237 HydrophobicContact CE1-CB 3.8Å; F220-L237 HydrophobicContact CE1-CD1 4.34Å; F220-G238 WeakPolarHBondContact CD1-O 3.19Å; F220-P239 HydrophobicContact CB-CB 4.48Å; F220-L242 HydrophobicContact CB-CD2 4.02Å; F220-L242 HydrophobicContact CD1-CB 4.19Å; F220-L242 HydrophobicContact CD2-CD1 4.24Å; F220-L242 HydrophobicContact CD2-CD2 3.77Å; F220-L242 HydrophobicContact CD2-CG 4.46Å; F220-L242 HydrophobicContact CE2-CD1 4.04Å; F220-L242 HydrophobicContact CE2-CD2 4.39Å; F220-L242 HydrophobicContact CG-CB 4.22Å; F220-L242 HydrophobicContact CG-CD2 3.92Å; F220-L242 HydrophobicContact CG-CG 4.48Å; F220-L242 HydrophobicContact CZ-CD1 4.22Å; F220-Y261 HydrophobicContact CD2-CE2 4.27Å; F220-Y261 HydrophobicContact CE2-CE2 4.01Å | ||
| 221 | V | 84.4 | Confident | 83.1 | Confident | 87 Ų | 87 | 64.5 Ų | 64.5 | 53% | 0.527 | 33% | 0.333 | S | S | . | . | trans | -125.7 | 121.1 | 177.2 | -175.5 | 0 | 0 | 0 | 0 | 108 | Q211 | Q211-V221 PolarHBondContact N-O 2.95Å; Q211-V221 VanDerWaalsContact N-O 3.14Å | ||
| 222 | G | 88.8 | Confident | 82.9 | Confident | 15 Ų | 15 | 70.3 Ų | 70.3 | 16% | 0.155 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | -177.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E209 L237 | E209-G222 CarbonylContact O-C 3.53Å; E209-G222 WeakPolarHBondContact O-CA 3.37Å; G222-L237 PolarHBondContact N-O 3.42Å; G222-L237 VanDerWaalsContact N-O 3.1Å; G222-L237 PolarHBondContact O-N 2.91Å |
| 223 | R | 86.2 | Confident | 82.8 | Confident | 123 Ų | 123 | 70.6 Ų | 70.6 | 46% | 0.464 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 150.3 | 170.1 | 61.4 | -179.8 | 179.3 | 177.7 | 4 | 109.6 | V208 E209 V234 R235 | V208-R223 WeakPolarHBondContact CA-O 3.26Å; E209-R223 HydrophobicContact CB-CG 3.97Å; E209-R223 PolarHBondContact N-O 3.4Å; E209-R223 PolarHBondContact O-N 3.17Å; E209-R223 IonicContact OE1-NH2 3.88Å; E209-R223 IonicContact OE2-CZ 2.83Å; E209-R223 IonicContact OE2-NE 2.82Å; E209-R223 PolarHBondContact OE2-NE 3.42Å; E209-R223 IonicContact OE2-NH2 3.37Å; E209-R223 PolarHBondContact OE2-NH2 2.91Å; R223-V234 HydrophobicContact CB-CG1 4.3Å; R223-R235 CarbonylContact C-O 3.47Å; R223-R235 VanDerWaalsContact CA-O 3.23Å; R223-R235 WeakPolarHBondContact CA-O 3.4Å; R223-R235 WeakPolarHBondContact CB-O 3.26Å |
| 224 | V | 90.6 | Very high | 82.6 | Confident | 4 Ų | 4 | 72.6 Ų | 72.6 | 2% | 0.024 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 134 | 167.7 | 64.5 | 0 | 0 | 0 | 0 | 109 | V189 A206 V207 V208 V226 V234 R235 L237 | V189-V224 HydrophobicContact CG1-CG1 4.25Å; V189-V224 HydrophobicContact CG2-CG1 3.94Å; A206-V224 HydrophobicContact CB-CG2 4.29Å; V207-V224 CarbonylContact O-C 3.52Å; V207-V224 WeakPolarHBondContact O-CA 3.36Å; V208-V224 HydrophobicContact CG2-CB 4.33Å; V208-V224 HydrophobicContact CG2-CG2 3.98Å; V224-V226 HydrophobicContact CG1-CG2 4.48Å; V224-V226 HydrophobicContact CG2-CG2 3.92Å; V224-V234 WeakPolarHBondContact O-CA 3.43Å; V224-R235 HydrophobicContact CG1-CB 3.93Å; V224-R235 PolarHBondContact N-O 2.87Å; V224-R235 PolarHBondContact O-N 3.41Å; V224-L237 HydrophobicContact CB-CD1 4.13Å; V224-L237 HydrophobicContact CB-CD2 4.35Å; V224-L237 HydrophobicContact CB-CG 4.32Å; V224-L237 HydrophobicContact CG1-CD2 4.02Å; V224-L237 HydrophobicContact CG1-CG 4.35Å |
| 225 | T | 89.8 | Confident | 82.6 | Confident | 18 Ų | 18 | 73.6 Ų | 73.6 | 11% | 0.11 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 114.7 | 170.4 | -55.2 | 0 | 0 | 0 | 0 | 107.2 | A206 V207 E232 I233 V234 | A206-T225 CarbonylContact C-O 3.59Å; A206-T225 VanDerWaalsContact CA-O 3.25Å; A206-T225 WeakPolarHBondContact CA-O 3.34Å; V207-T225 PolarHBondContact N-O 3.49Å; V207-T225 PolarHBondContact O-N 2.95Å; T225-E232 HydrophobicContact CG2-CB 3.89Å; T225-E232 HydrophobicContact CG2-CG 4.21Å; T225-I233 WeakPolarHBondContact CA-O 3.25Å; T225-V234 HydrophobicContact CG2-CG2 4.16Å |
| 226 | V | 89 | Confident | 83.1 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 127.4 | 178.1 | -173.1 | 0 | 0 | 0 | 0 | 108.5 | T192 L204 A206 V224 Q228 I233 | T192-V226 HydrophobicContact CG2-CG2 4.05Å; L204-V226 HydrophobicContact CD1-CG1 3.91Å; A206-V226 HydrophobicContact CB-CG2 4.24Å; V224-V226 HydrophobicContact CG1-CG2 4.48Å; V224-V226 HydrophobicContact CG2-CG2 3.92Å; V226-Q228 HydrophobicContact CG1-CG 4.09Å; V226-I233 PolarHBondContact N-O 2.67Å; V226-I233 PolarHBondContact O-N 2.96Å |
| 227 | T | 86.9 | Confident | 83.7 | Confident | 42 Ų | 42 | 73 Ų | 73 | 26% | 0.258 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 110.9 | 177 | -48.8 | 0 | 0 | 0 | 0 | 109.1 | Q205 E231 | Q205-T227 PolarHBondContact O-N 2.97Å; T227-E231 WeakPolarHBondContact CA-O 2.83Å |
| 228 | Q | 78.9 | Confident | 84.1 | Confident | 70 Ų | 70 | 72 Ų | 72 | 33% | 0.327 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 130 | 174.4 | -71.5 | -173.4 | 4.8 | 0 | 0 | 109.4 | E191 V226 G230 E231 | E191-Q228 PolarHBondContact O-NE2 3.22Å; E191-Q228 VanDerWaalsContact O-NE2 3.15Å; V226-Q228 HydrophobicContact CG1-CG 4.09Å; Q228-G230 PolarHBondContact O-N 3.43Å; Q228-E231 PolarHBondContact N-O 3.32Å; Q228-E231 PolarHBondContact O-N 2.71Å |
| 229 | H | 76.8 | Confident | 84.4 | Confident | 198 Ų | 198 | 69.1 Ų | 69.1 | 92% | 0.917 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 25.6 | 178.7 | -60.3 | -72.4 | 0 | 0 | 0 | 115.5 | ||
| 230 | G | 73.1 | Confident | 84.8 | Confident | 71 Ų | 71 | 67 Ų | 67 | 73% | 0.732 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | -1.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q228 | Q228-G230 PolarHBondContact O-N 3.43Š|
| 231 | E | 80.6 | Confident | 85.1 | Confident | 146 Ų | 146 | 67.3 Ų | 67.3 | 68% | 0.682 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 137.6 | 171.6 | -66.6 | -169.3 | 164 | 0 | 0 | 111.2 | T227 Q228 | T227-E231 WeakPolarHBondContact CA-O 2.83Å; Q228-E231 PolarHBondContact N-O 3.32Å; Q228-E231 PolarHBondContact O-N 2.71Å |
| 232 | E | 85 | Confident | 85.6 | Confident | 145 Ų | 145 | 63.3 Ų | 63.3 | 68% | 0.678 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 112 | 175.4 | -69.3 | -173.3 | 173.5 | 0 | 0 | 110.5 | T225 | T225-E232 HydrophobicContact CG2-CB 3.89Å; T225-E232 HydrophobicContact CG2-CG 4.21Å |
| 233 | I | 86 | Confident | 85.9 | Confident | 42 Ų | 42 | 62.6 Ų | 62.6 | 22% | 0.215 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 116.9 | 178.1 | -55.6 | 173 | 0 | 0 | 0 | 108.7 | E191 T225 V226 R235 | E191-I233 HydrophobicContact CG-CD1 4.19Å; E191-I233 HydrophobicContact CG-CG2 4.26Å; T225-I233 WeakPolarHBondContact CA-O 3.25Å; V226-I233 PolarHBondContact N-O 2.67Å; V226-I233 PolarHBondContact O-N 2.96Å; I233-R235 HydrophobicContact CG2-CG 4.42Å |
| 234 | V | 84 | Confident | 86.2 | Confident | 70 Ų | 70 | 57.6 Ų | 57.6 | 42% | 0.424 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 129.8 | 178.8 | -174 | 0 | 0 | 0 | 0 | 110.5 | R223 V224 T225 | R223-V234 HydrophobicContact CB-CG1 4.3Å; V224-V234 WeakPolarHBondContact O-CA 3.43Å; T225-V234 HydrophobicContact CG2-CG2 4.16Å |
| 235 | R | 84.6 | Confident | 86.2 | Confident | 100 Ų | 100 | 57.8 Ų | 57.8 | 38% | 0.377 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 139.5 | 176.4 | -65.6 | -71.5 | 179.4 | -119.6 | 3.8 | 110.9 | V189 E191 R223 V224 I233 | V189-R235 HydrophobicContact CG1-CB 3.83Å; V189-R235 HydrophobicContact CG1-CG 3.65Å; E191-R235 IonicContact OE1-CZ 3.82Å; E191-R235 IonicContact OE1-NE 3.03Å; E191-R235 PolarHBondContact OE1-NE 2.69Å; E191-R235 IonicContact OE1-NH2 2.87Å; E191-R235 PolarHBondContact OE1-NH2 2.94Å; E191-R235 IonicContact OE2-NE 3.97Å; E191-R235 PolarHBondContact OE2-NE 2.86Å; R223-R235 CarbonylContact C-O 3.47Å; R223-R235 VanDerWaalsContact CA-O 3.23Å; R223-R235 WeakPolarHBondContact CA-O 3.4Å; R223-R235 WeakPolarHBondContact CB-O 3.26Å; V224-R235 HydrophobicContact CG1-CB 3.93Å; V224-R235 PolarHBondContact N-O 2.87Å; V224-R235 PolarHBondContact O-N 3.41Å; I233-R235 HydrophobicContact CG2-CG 4.42Å |
| 236 | P | 84.5 | Confident | 85.8 | Confident | 105 Ų | 105 | 57.4 Ų | 57.4 | 68% | 0.682 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 148.4 | 174 | 31.3 | -34.1 | 0 | 0 | 0 | 110.2 | ||
| 237 | L | 87.7 | Confident | 85.8 | Confident | 8 Ų | 8 | 57.4 Ų | 57.4 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 130.4 | 170 | -60.8 | 173 | 0 | 0 | 0 | 109.6 | V159 V189 V208 F220 G222 V224 N241 | V159-L237 HydrophobicContact CG1-CD1 4.03Å; V159-L237 HydrophobicContact CG1-CD2 4.09Å; V159-L237 HydrophobicContact CG2-CD1 4.4Å; V189-L237 HydrophobicContact CG2-CD2 3.81Å; V208-L237 HydrophobicContact CG1-CD1 3.77Å; F220-L237 HydrophobicContact CD1-CB 4.41Å; F220-L237 HydrophobicContact CE1-CB 3.8Å; F220-L237 HydrophobicContact CE1-CD1 4.34Å; G222-L237 PolarHBondContact N-O 3.42Å; G222-L237 VanDerWaalsContact N-O 3.1Å; G222-L237 PolarHBondContact O-N 2.91Å; V224-L237 HydrophobicContact CB-CD1 4.13Å; V224-L237 HydrophobicContact CB-CD2 4.35Å; V224-L237 HydrophobicContact CB-CG 4.32Å; V224-L237 HydrophobicContact CG1-CD2 4.02Å; V224-L237 HydrophobicContact CG1-CG 4.35Å; L237-N241 WeakPolarHBondContact CA-OD1 3.32Å; L237-N241 HydrophobicContact CD2-CB 4.01Å |
| 238 | G | 84.4 | Confident | 85.9 | Confident | 10 Ų | 10 | 60.9 Ų | 60.9 | 10% | 0.103 | 32% | 0.32 | C | S | . | . | trans | -117.3 | -178.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F220 E240 N241 | F220-G238 WeakPolarHBondContact CD1-O 3.19Å; G238-E240 PolarHBondContact O-N 2.96Å; G238-N241 PolarHBondContact N-OD1 2.93Å; G238-N241 PolarHBondContact O-N 2.56Å; G238-N241 PolarHBondContact O-OD1 3.22Å | ||
| 239 | P | 85.1 | Confident | 86.4 | Confident | 55 Ų | 55 | 57.6 Ų | 57.6 | 36% | 0.357 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -57.5 | -28.5 | 176.2 | 24.4 | -34.1 | 0 | 0 | 0 | 113.5 | H186 Y218 F220 N241 L242 | H186-P239 PolarHBondContact CE1-O 3.49Å; Y218-P239 VanDerWaalsContact O-CB 3.27Å; Y218-P239 WeakPolarHBondContact O-CB 3.45Å; Y218-P239 WeakPolarHBondContact O-CG 3.27Å; F220-P239 HydrophobicContact CB-CB 4.48Å; P239-N241 PolarHBondContact O-N 2.63Å; P239-L242 PolarHBondContact O-N 2.73Å; P239-L242 VanDerWaalsContact O-N 3.17Å |
| 240 | E | 86.9 | Confident | 86.8 | Confident | 93 Ų | 93 | 51 Ų | 51 | 44% | 0.435 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -64.2 | -14.6 | 174.9 | 65.6 | -86.6 | -162.5 | 0 | 0 | 114.1 | H186 F187 G238 | H186-E240 CarbonylContact C-O 3.54Å; H186-E240 VanDerWaalsContact CA-O 3.25Å; H186-E240 WeakPolarHBondContact CA-O 3.1Å; H186-E240 VanDerWaalsContact CB-O 3.25Å; H186-E240 WeakPolarHBondContact CB-O 3.02Å; H186-E240 PolarHBondContact ND1-O 3.09Å; F187-E240 HydrophobicContact CD2-CB 4.24Å; F187-E240 PolarHBondContact N-O 2.88Å; G238-E240 PolarHBondContact O-N 2.96Å |
| 241 | N | 92.9 | Very high | 87.2 | Confident | 12 Ų | 12 | 49 Ų | 49 | 6% | 0.064 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -101.1 | -10.9 | 176.6 | -48.8 | 113 | 0 | 0 | 0 | 113.3 | V159 L160 F187 L237 G238 P239 | V159-N241 WeakPolarHBondContact CA-O 3.27Å; L160-N241 PolarHBondContact N-O 2.75Å; F187-N241 PolarHBondContact O-ND2 2.95Å; L237-N241 WeakPolarHBondContact CA-OD1 3.32Å; L237-N241 HydrophobicContact CD2-CB 4.01Å; G238-N241 PolarHBondContact N-OD1 2.93Å; G238-N241 PolarHBondContact O-N 2.56Å; G238-N241 PolarHBondContact O-OD1 3.22Å; P239-N241 PolarHBondContact O-N 2.63Å |
| 242 | L | 94.6 | Very high | 87.5 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 127.3 | -174.9 | -173.8 | 73.8 | 0 | 0 | 0 | 111.6 | D157 L158 V159 H186 F220 P239 L244 V260 K267 | D157-L242 HydrophobicContact CB-CD1 4.34Å; L158-L242 CarbonylContact O-C 3.55Å; V159-L242 HydrophobicContact CG2-CD1 4.25Å; H186-L242 PolarHBondContact CE1-O 3.19Å; H186-L242 PolarHBondContact ND1-O 2.6Å; F220-L242 HydrophobicContact CB-CD2 4.02Å; F220-L242 HydrophobicContact CD1-CB 4.19Å; F220-L242 HydrophobicContact CD2-CD1 4.24Å; F220-L242 HydrophobicContact CD2-CD2 3.77Å; F220-L242 HydrophobicContact CD2-CG 4.46Å; F220-L242 HydrophobicContact CE2-CD1 4.04Å; F220-L242 HydrophobicContact CE2-CD2 4.39Å; F220-L242 HydrophobicContact CG-CB 4.22Å; F220-L242 HydrophobicContact CG-CD2 3.92Å; F220-L242 HydrophobicContact CG-CG 4.48Å; F220-L242 HydrophobicContact CZ-CD1 4.22Å; P239-L242 PolarHBondContact O-N 2.73Å; P239-L242 VanDerWaalsContact O-N 3.17Å; L242-L244 HydrophobicContact CD2-CD2 3.63Å; L242-L244 HydrophobicContact CG-CD2 4.13Å; L242-V260 HydrophobicContact CD1-CG2 3.82Å; L242-K267 HydrophobicContact CD2-CD 4.41Å |
| 243 | L | 95.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 116.8 | 175.3 | -50.9 | 176 | 0 | 0 | 0 | 108.9 | F154 D157 L158 L160 I172 H186 I255 | F154-L243 HydrophobicContact CD1-CB 4.15Å; F154-L243 HydrophobicContact CD1-CD1 4.36Å; F154-L243 HydrophobicContact CD2-CB 4.42Å; F154-L243 HydrophobicContact CE1-CB 4.05Å; F154-L243 HydrophobicContact CE1-CD1 3.65Å; F154-L243 HydrophobicContact CE1-CG 4.39Å; F154-L243 HydrophobicContact CE2-CB 4.32Å; F154-L243 HydrophobicContact CG-CB 4.36Å; F154-L243 HydrophobicContact CZ-CB 4.13Å; F154-L243 HydrophobicContact CZ-CD1 3.95Å; F154-L243 HydrophobicContact CZ-CD2 4.4Å; F154-L243 HydrophobicContact CZ-CG 4.39Å; D157-L243 CarbonylContact C-O 3.55Å; D157-L243 VanDerWaalsContact CA-O 3.3Å; D157-L243 WeakPolarHBondContact CA-O 3.12Å; L158-L243 HydrophobicContact CB-CB 4.29Å; L158-L243 PolarHBondContact N-O 3.35Å; L158-L243 PolarHBondContact O-N 3.44Å; L160-L243 HydrophobicContact CB-CD1 4.12Å; L160-L243 HydrophobicContact CB-CG 4.33Å; L160-L243 HydrophobicContact CD1-CD1 4.19Å; I172-L243 HydrophobicContact CD1-CD2 4.46Å; I172-L243 HydrophobicContact CG2-CD2 3.98Å; H186-L243 HydrophobicContact CB-CD2 3.87Å; L243-I255 HydrophobicContact CD1-CD1 3.67Å; L243-I255 HydrophobicContact CD1-CG1 4.38Å |
| 244 | L | 93 | Very high | 87.9 | Confident | 18 Ų | 18 | 42.5 Ų | 42.5 | 9% | 0.094 | 21% | 0.212 | C | C | . | . | trans | -85 | 139.9 | -171.3 | -61.3 | 172.5 | 0 | 0 | 0 | 112.1 | F154 L177 L217 L242 G246 A247 K267 | F154-L244 WeakPolarHBondContact CB-O 3.13Å; L177-L244 HydrophobicContact CD1-CB 3.39Å; L177-L244 HydrophobicContact CD1-CD1 3.97Å; L177-L244 HydrophobicContact CD1-CG 4.34Å; L217-L244 HydrophobicContact CB-CD1 4.32Å; L217-L244 HydrophobicContact CD2-CD1 4.23Å; L242-L244 HydrophobicContact CD2-CD2 3.63Å; L242-L244 HydrophobicContact CG-CD2 4.13Å; L244-G246 PolarHBondContact O-N 3.41Å; L244-A247 WeakPolarHBondContact O-CB 3.36Å; L244-A247 PolarHBondContact O-N 3.49Å; L244-K267 HydrophobicContact CD2-CB 4.37Å; L244-K267 HydrophobicContact CD2-CD 3.88Å; L244-K267 HydrophobicContact CD2-CG 4.39Å | ||
| 245 | R | 90.4 | Very high | 88.5 | Confident | 7 Ų | 7 | 39.2 Ų | 39.2 | 3% | 0.026 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 131.2 | 171.3 | -177 | 177.7 | -179.8 | 137.7 | 9.2 | 109.7 | N42 F154 P155 D157 L177 A247 M268 | N42-R245 PolarHBondContact OD1-NH1 3.35Å; F154-R245 WeakPolarHBondContact O-CA 3.49Å; P155-R245 WeakPolarHBondContact O-CD 3.43Å; P155-R245 PolarHBondContact O-NE 3.42Å; P155-R245 PolarHBondContact O-NH1 3.39Å; P155-R245 VanDerWaalsContact O-NH1 3.14Å; D157-R245 WeakPolarHBondContact OD1-CB 3.39Å; D157-R245 PolarHBondContact OD1-N 3.29Å; L177-R245 WeakPolarHBondContact CD2-O 3.31Å; R245-A247 VanDerWaalsContact C-N 3.34Å; R245-M268 HydrophobicContact CB-CE 4.45Å; R245-M268 HydrophobicContact CG-CE 3.75Å |
| 246 | G | 82.5 | Confident | 88.9 | Confident | 11 Ų | 11 | 35 Ų | 35 | 11% | 0.113 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | -15.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | F154 S176 L244 | F154-G246 PolarHBondContact O-N 3.17Å; S176-G246 VanDerWaalsContact CB-O 3.27Å; S176-G246 WeakPolarHBondContact CB-O 3.33Å; L244-G246 PolarHBondContact O-N 3.41Å |
| 247 | A | 88.5 | Confident | 89.4 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -68.7 | 160 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110 | T153 F154 I172 T173 T174 L177 L244 R245 | T153-A247 WeakPolarHBondContact CA-O 3.37Å; F154-A247 HydrophobicContact CD2-CB 3.79Å; F154-A247 WeakPolarHBondContact CD2-O 3.27Å; F154-A247 HydrophobicContact CE2-CB 4.12Å; F154-A247 PolarHBondContact N-O 2.98Å; I172-A247 HydrophobicContact CD1-CB 4.18Å; T173-A247 WeakPolarHBondContact O-CA 3.49Å; T173-A247 WeakPolarHBondContact O-CB 3.32Å; T174-A247 HydrophobicContact CG2-CB 4.13Å; L177-A247 HydrophobicContact CD1-CB 3.86Å; L244-A247 WeakPolarHBondContact O-CB 3.36Å; L244-A247 PolarHBondContact O-N 3.49Å; R245-A247 VanDerWaalsContact C-N 3.34Å | ||
| 248 | R | 88.2 | Confident | 89.8 | Confident | 115 Ų | 115 | 29.6 Ų | 29.6 | 43% | 0.434 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 139.3 | 178 | -78.1 | -177 | 159.6 | -170.2 | -9.3 | 111.7 | E152 T153 I172 T173 | E152-R248 WeakPolarHBondContact O-CA 3.45Å; T153-R248 HydrophobicContact CG2-CG 3.61Å; I172-R248 CarbonylContact C-O 3.55Å; I172-R248 VanDerWaalsContact CA-O 3.28Å; I172-R248 WeakPolarHBondContact CA-O 3.38Å; T173-R248 HydrophobicContact CG2-CB 3.67Å; T173-R248 PolarHBondContact N-O 2.9Å; T173-R248 PolarHBondContact O-N 3.06Å |
| 249 | L | 90.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 133.9 | 173.3 | -171.2 | 69.1 | 0 | 0 | 0 | 110 | V148 D151 E152 F154 C170 I172 T252 I255 | V148-L249 HydrophobicContact CG1-CB 4.29Å; V148-L249 WeakPolarHBondContact O-CD2 3.26Å; D151-L249 VanDerWaalsContact CA-O 3.26Å; D151-L249 WeakPolarHBondContact CA-O 3.31Å; D151-L249 PolarHBondContact N-O 3.08Å; E152-L249 PolarHBondContact O-N 2.75Å; F154-L249 HydrophobicContact CZ-CB 4.09Å; F154-L249 HydrophobicContact CZ-CD1 4.12Å; C170-L249 HydrophobicContact CB-CD1 4.09Å; I172-L249 HydrophobicContact CG2-CD1 4.34Å; L249-T252 HydrophobicContact CD1-CG2 4.33Å; L249-I255 HydrophobicContact CD1-CG1 4.28Å; L249-I255 HydrophobicContact CD1-CG2 3.86Å; L249-I255 HydrophobicContact CD2-CG1 4.1Å; L249-I255 HydrophobicContact CD2-CG2 4.06Å |
| 250 | K | 85.1 | Confident | 90.8 | Very high | 60 Ų | 60 | 26.5 Ų | 26.5 | 26% | 0.261 | 12% | 0.12 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 153.9 | -179.7 | -71.7 | -67.6 | -175.6 | 177.5 | 0 | 110.3 | D151 H171 T173 L183 T252 | D151-K250 VanDerWaalsContact OD1-CD 3.25Å; D151-K250 WeakPolarHBondContact OD1-CD 3.25Å; D151-K250 VanDerWaalsContact OD1-CE 3.31Å; D151-K250 WeakPolarHBondContact OD1-CE 3.17Å; D151-K250 IonicContact OD1-NZ 3.49Å; D151-K250 PolarHBondContact OD1-NZ 3.3Å; H171-K250 WeakPolarHBondContact CB-O 3.43Å; H171-K250 PolarHBondContact O-N 3.23Å; T173-K250 HydrophobicContact CG2-CG 3.72Å; L183-K250 HydrophobicContact CD1-CB 4.45Å; L183-K250 HydrophobicContact CD2-CB 3.47Å; L183-K250 VanDerWaalsContact CD2-CB 3.47Å; L183-K250 HydrophobicContact CD2-CG 3.77Å; K250-T252 WeakPolarHBondContact O-CB 3.42Å; K250-T252 PolarHBondContact O-N 2.94Å; K250-T252 PolarHBondContact O-OG1 3.31Å |
| 251 | N | 80.8 | Confident | 91.2 | Very high | 29 Ų | 29 | 22 Ų | 22 | 16% | 0.155 | 10% | 0.099 | C | C | . | . | S | Bend | trans | 48.7 | 22.9 | 174.4 | -63.6 | -1.4 | 0 | 0 | 0 | 115.8 | R165 H171 L183 | R165-N251 PolarHBondContact NH2-O 2.66Å; H171-N251 HydrophobicContact CB-CB 4.46Å; L183-N251 HydrophobicContact CD1-CB 4.48Å; L183-N251 WeakPolarHBondContact CD1-ND2 3.33Å |
| 252 | T | 85.9 | Confident | 91.3 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.012 | 10% | 0.096 | C | C | . | . | trans | -143.7 | 125.4 | -175.1 | -46.6 | 0 | 0 | 0 | 0 | 105.5 | K150 D164 C170 H171 L249 K250 I255 | K150-T252 WeakPolarHBondContact CA-O 3.46Å; K150-T252 VanDerWaalsContact CB-O 3.25Å; K150-T252 WeakPolarHBondContact CB-O 3.37Å; K150-T252 WeakPolarHBondContact CG-O 3.33Å; D164-T252 WeakPolarHBondContact OD1-CG2 3.19Å; C170-T252 HydrophobicContact CB-CG2 3.8Å; H171-T252 PolarHBondContact N-OG1 3.18Å; L249-T252 HydrophobicContact CD1-CG2 4.33Å; K250-T252 WeakPolarHBondContact O-CB 3.42Å; K250-T252 PolarHBondContact O-N 2.94Å; K250-T252 PolarHBondContact O-OG1 3.31Å; T252-I255 HydrophobicContact CG2-CG2 3.75Å | ||
| 253 | K | 88.9 | Confident | 91.1 | Very high | 143 Ų | 143 | 21.3 Ų | 21.3 | 62% | 0.622 | 10% | 0.096 | S | C | * | . | S | Bend | trans | -67.6 | -45.7 | -170.9 | -173.1 | -174.3 | 174.5 | -171.9 | 0 | 111.2 | A149 K150 D164 | A149-K253 CarbonylContact C-O 3.53Å; K150-K253 PolarHBondContact N-O 3.21Å; D164-K253 HydrophobicContact CB-CB 4.28Å; D164-K253 PolarHBondContact OD1-N 3.48Å; D164-K253 WeakPolarHBondContact OD2-CB 2.84Å; D164-K253 PolarHBondContact OD2-N 3.1Å |
| 254 | E | 92.2 | Very high | 90.7 | Very high | 52 Ų | 52 | 25.2 Ų | 25.2 | 24% | 0.243 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 156.1 | 177.2 | 63.8 | -170.7 | 163.8 | 0 | 0 | 111.6 | R147 V148 D164 | R147-E254 IonicContact CZ-OE2 3.84Å; R147-E254 IonicContact NH1-OE2 2.8Å; R147-E254 PolarHBondContact NH1-OE2 2.86Å; V148-E254 VanDerWaalsContact O-CA 3.29Å; V148-E254 WeakPolarHBondContact O-CA 3.35Å; D164-E254 HydrophobicContact CB-CG 4.42Å; D164-E254 PolarHBondContact N-O 3.24Å |
| 255 | I | 94.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 157 | 173.4 | 65.2 | 92.5 | 0 | 0 | 0 | 110.3 | R147 V148 F154 L160 S162 C170 L243 L249 T252 | R147-I255 WeakPolarHBondContact CA-O 3.38Å; V148-I255 HydrophobicContact CB-CD1 4.1Å; V148-I255 HydrophobicContact CB-CG1 4.05Å; V148-I255 HydrophobicContact CG2-CD1 4.29Å; V148-I255 PolarHBondContact N-O 2.93Å; V148-I255 PolarHBondContact O-N 3.17Å; F154-I255 HydrophobicContact CE1-CD1 3.94Å; F154-I255 HydrophobicContact CE1-CG1 4.19Å; L160-I255 HydrophobicContact CD1-CB 3.93Å; L160-I255 HydrophobicContact CD1-CD1 4.4Å; L160-I255 HydrophobicContact CD1-CG2 4.2Å; S162-I255 WeakPolarHBondContact O-CA 3.11Å; C170-I255 HydrophobicContact CB-CG2 3.62Å; L243-I255 HydrophobicContact CD1-CD1 3.67Å; L243-I255 HydrophobicContact CD1-CG1 4.38Å; L249-I255 HydrophobicContact CD1-CG1 4.28Å; L249-I255 HydrophobicContact CD1-CG2 3.86Å; L249-I255 HydrophobicContact CD2-CG1 4.1Å; L249-I255 HydrophobicContact CD2-CG2 4.06Å; T252-I255 HydrophobicContact CG2-CG2 3.75Å |
| 256 | F | 94.7 | Very high | 90.5 | Very high | 11 Ų | 11 | 25.7 Ų | 25.7 | 5% | 0.048 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 128.8 | 165.9 | -63.4 | -86.3 | 0 | 0 | 0 | 109.6 | V127 I145 V146 R147 L161 S162 L201 | V127-F256 HydrophobicContact CG2-CD1 4.25Å; V127-F256 HydrophobicContact CG2-CE1 4.13Å; I145-F256 HydrophobicContact CG2-CB 4.28Å; I145-F256 HydrophobicContact CG2-CD1 4.3Å; V146-F256 WeakPolarHBondContact O-CA 3.19Å; R147-F256 HydrophobicContact CB-CD1 3.98Å; R147-F256 HydrophobicContact CB-CE1 3.78Å; R147-F256 HydrophobicContact CG-CD1 4.14Å; R147-F256 HydrophobicContact CG-CE1 3.7Å; R147-F256 HydrophobicContact CG-CZ 4.04Å; L161-F256 WeakPolarHBondContact CB-O 3.42Å; L161-F256 PolarHBondContact N-O 3.23Å; S162-F256 PolarHBondContact N-O 2.95Å; S162-F256 PolarHBondContact O-N 3.19Å; L201-F256 HydrophobicContact CD1-CB 3.79Å; L201-F256 HydrophobicContact CD1-CD1 3.44Å; L201-F256 VanDerWaalsContact CD1-CD1 3.44Å; L201-F256 HydrophobicContact CD1-CD2 3.63Å; L201-F256 HydrophobicContact CD1-CE1 3.82Å; L201-F256 HydrophobicContact CD1-CE2 3.99Å; L201-F256 HydrophobicContact CD1-CG 3.33Å; L201-F256 HydrophobicContact CD1-CZ 4.08Å; L201-F256 HydrophobicContact CD2-CB 4.32Å |
| 257 | G | 94.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 151.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | I145 V146 V159 | I145-G257 CarbonylContact C-O 3.57Å; I145-G257 WeakPolarHBondContact CA-O 3.36Å; V146-G257 PolarHBondContact N-O 2.89Å; V146-G257 PolarHBondContact O-N 3.48Å; V159-G257 CarbonylContact O-C 3.56Å; V159-G257 WeakPolarHBondContact O-CA 3.47Å |
| 258 | V | 95.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 131.6 | 177.4 | 59.4 | 0 | 0 | 0 | 0 | 111 | V22 V24 D144 L158 V159 L161 V208 V260 | V22-V258 HydrophobicContact CG1-CG2 4.38Å; V24-V258 HydrophobicContact CG1-CG2 4.49Å; V24-V258 HydrophobicContact CG2-CB 4.41Å; V24-V258 HydrophobicContact CG2-CG1 4.32Å; V24-V258 HydrophobicContact CG2-CG2 4.15Å; D144-V258 WeakPolarHBondContact O-CA 3.48Å; L158-V258 CarbonylContact C-O 3.6Å; L158-V258 WeakPolarHBondContact CA-O 3.33Å; V159-V258 HydrophobicContact CB-CG1 3.92Å; V159-V258 PolarHBondContact N-O 2.85Å; V159-V258 PolarHBondContact O-N 3.04Å; L161-V258 HydrophobicContact CD1-CB 4.14Å; L161-V258 HydrophobicContact CD1-CG1 4.48Å; L161-V258 HydrophobicContact CD2-CG1 4.1Å; L161-V258 HydrophobicContact CG-CB 4.45Å; L161-V258 HydrophobicContact CG-CG1 4.31Å; V208-V258 HydrophobicContact CG2-CG1 4.24Å; V258-V260 PolarHBondContact O-N 2.78Å |
| 259 | A | 96.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 122.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | I140 V142 G143 D144 A156 L158 T262 | I140-A259 HydrophobicContact CG2-CB 3.99Å; V142-A259 WeakPolarHBondContact CA-O 3.39Å; G143-A259 PolarHBondContact N-O 2.66Å; D144-A259 PolarHBondContact O-N 2.8Å; A156-A259 HydrophobicContact CB-CB 4.46Å; L158-A259 HydrophobicContact CD2-CB 3.81Å; A259-T262 HydrophobicContact CB-CG2 4.34Å |
| 260 | V | 95.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | -36.3 | 179.2 | -69.1 | 0 | 0 | 0 | 0 | 113.4 | R20 V22 D157 V159 V208 L242 V258 | R20-V260 PolarHBondContact NH1-O 2.88Å; V22-V260 HydrophobicContact CG2-CG1 4.44Å; D157-V260 HydrophobicContact CB-CG2 4.43Å; D157-V260 WeakPolarHBondContact O-CG2 3.41Å; D157-V260 PolarHBondContact O-N 2.87Å; V159-V260 HydrophobicContact CB-CG1 4.45Å; V159-V260 HydrophobicContact CG2-CG1 3.69Å; V159-V260 HydrophobicContact CG2-CG2 4.07Å; V208-V260 HydrophobicContact CG1-CG1 4.12Å; L242-V260 HydrophobicContact CD1-CG2 3.82Å; V258-V260 PolarHBondContact O-N 2.78Å |
| 261 | Y | 94.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 127.3 | 173 | -49.1 | -60.6 | 0 | 0 | 0 | 110.7 | D157 Q211 P213 F220 | D157-Y261 HydrophobicContact CB-CD2 3.85Å; D157-Y261 HydrophobicContact CB-CG 4.38Å; D157-Y261 PolarHBondContact N-O 3.01Å; D157-Y261 PolarHBondContact O-N 2.95Å; D157-Y261 WeakPolarHBondContact OD2-CD2 3.45Å; Q211-Y261 PolarHBondContact O-OH 3.3Å; P213-Y261 HydrophobicContact CB-CD1 3.73Å; P213-Y261 HydrophobicContact CB-CE1 3.77Å; P213-Y261 HydrophobicContact CB-CG 4.27Å; P213-Y261 HydrophobicContact CG-CD1 4.31Å; P213-Y261 HydrophobicContact CG-CE1 4.35Å; F220-Y261 HydrophobicContact CD2-CE2 4.27Å; F220-Y261 HydrophobicContact CE2-CE2 4.01Å |
| 262 | T | 94.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -120.8 | 146 | -176 | 45.1 | 0 | 0 | 0 | 0 | 111.8 | A40 N42 I140 V142 A156 A259 M264 E265 | A40-T262 PolarHBondContact O-OG1 3.46Å; N42-T262 HydrophobicContact CB-CG2 4.21Å; I140-T262 HydrophobicContact CG2-CG2 4.3Å; V142-T262 HydrophobicContact CG2-CG2 4Å; V142-T262 WeakPolarHBondContact CG2-OG1 3.48Å; A156-T262 HydrophobicContact CB-CG2 4.22Å; A259-T262 HydrophobicContact CB-CG2 4.34Å; T262-M264 PolarHBondContact O-N 3.47Å; T262-E265 WeakPolarHBondContact O-CB 3.49Å; T262-E265 PolarHBondContact O-N 2.84Å; T262-E265 VanDerWaalsContact O-N 3.13Å | ||
| 263 | G | 90.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | 61.2 | -126.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D41 N42 E265 S266 A269 | D41-G263 WeakPolarHBondContact O-CA 3.2Å; N42-G263 PolarHBondContact OD1-N 2.7Å; G263-E265 PolarHBondContact O-N 3.2Å; G263-S266 WeakPolarHBondContact O-CB 3.36Å; G263-S266 PolarHBondContact O-N 2.99Å; G263-S266 PolarHBondContact O-OG 3.42Å; G263-A269 WeakPolarHBondContact O-CB 3.45Å |
| 264 | M | 87 | Confident | 84.7 | Confident | 81 Ų | 81 | 33.9 Ų | 33.9 | 40% | 0.399 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -70.8 | -10.7 | -178.9 | -62 | -57.5 | -64 | 0 | 0 | 113.8 | I44 T262 A269 | I44-M264 HydrophobicContact CD1-SD 4.41Å; T262-M264 PolarHBondContact O-N 3.47Å; M264-A269 HydrophobicContact SD-CB 4.4Å |
| 265 | E | 91.1 | Very high | 83 | Confident | 35 Ų | 35 | 35.7 Ų | 35.7 | 16% | 0.164 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -88.1 | -11.7 | 172.8 | -67 | -172.9 | 161 | 0 | 0 | 113.3 | R20 A40 P213 T262 G263 | R20-E265 IonicContact CZ-OE2 2.85Å; R20-E265 IonicContact NH1-OE2 3.08Å; R20-E265 PolarHBondContact NH1-OE2 3.21Å; R20-E265 IonicContact NH2-OE1 3.27Å; R20-E265 PolarHBondContact NH2-OE1 2.78Å; R20-E265 IonicContact NH2-OE2 3.03Å; R20-E265 PolarHBondContact NH2-OE2 2.84Å; A40-E265 HydrophobicContact CB-CG 3.82Å; P213-E265 HydrophobicContact CB-CB 4.37Å; P213-E265 VanDerWaalsContact CB-O 3.26Å; P213-E265 WeakPolarHBondContact CB-O 3.47Å; P213-E265 HydrophobicContact CG-CB 4.08Å; P213-E265 HydrophobicContact CG-CG 4.3Å; T262-E265 WeakPolarHBondContact O-CB 3.49Å; T262-E265 PolarHBondContact O-N 2.84Å; T262-E265 VanDerWaalsContact O-N 3.13Å; G263-E265 PolarHBondContact O-N 3.2Å |
| 266 | S | 89.9 | Confident | 81.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -60.3 | 145.1 | 174.4 | 63.4 | 0 | 0 | 0 | 0 | 110.6 | D157 G263 M268 A269 L270 | D157-S266 WeakPolarHBondContact OD2-CA 3.36Å; G263-S266 WeakPolarHBondContact O-CB 3.36Å; G263-S266 PolarHBondContact O-N 2.99Å; G263-S266 PolarHBondContact O-OG 3.42Å; S266-M268 PolarHBondContact O-N 2.98Å; S266-A269 WeakPolarHBondContact O-CA 3.46Å; S266-A269 PolarHBondContact O-N 2.85Å; S266-A269 VanDerWaalsContact OG-CB 3.31Å; S266-A269 WeakPolarHBondContact OG-CB 3.35Å; S266-A269 PolarHBondContact OG-N 3.29Å; S266-L270 PolarHBondContact O-N 3.19Å |
| 267 | K | 86.7 | Confident | 79.9 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59 | -35.1 | -177.3 | -63.2 | -164.6 | 176.1 | -171.3 | 0 | 112.7 | D157 E214 D216 L217 R219 L242 L244 L270 N271 | D157-K267 PolarHBondContact OD2-N 2.77Å; E214-K267 WeakPolarHBondContact O-CG 3.31Å; D216-K267 WeakPolarHBondContact O-CD 3.49Å; D216-K267 WeakPolarHBondContact O-CE 3.36Å; D216-K267 PolarHBondContact O-NZ 3.44Å; L217-K267 HydrophobicContact CD2-CB 3.97Å; L217-K267 PolarHBondContact O-NZ 3.02Å; R219-K267 PolarHBondContact O-NZ 2.98Å; L242-K267 HydrophobicContact CD2-CD 4.41Å; L244-K267 HydrophobicContact CD2-CB 4.37Å; L244-K267 HydrophobicContact CD2-CD 3.88Å; L244-K267 HydrophobicContact CD2-CG 4.39Å; K267-L270 PolarHBondContact O-N 2.83Å; K267-N271 PolarHBondContact O-N 3.4Å; K267-N271 PolarHBondContact O-ND2 3.41Å |
| 268 | M | 81.7 | Confident | 79.1 | Confident | 37 Ų | 37 | 46.8 Ų | 46.8 | 18% | 0.182 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.9 | -44.5 | 172.8 | -176.2 | -175.1 | 64.9 | 0 | 0 | 111.8 | L177 R245 S266 N271 Y272 | L177-M268 HydrophobicContact CD2-CB 3.7Å; L177-M268 HydrophobicContact CD2-CG 3.54Å; L177-M268 HydrophobicContact CD2-SD 3.66Å; R245-M268 HydrophobicContact CB-CE 4.45Å; R245-M268 HydrophobicContact CG-CE 3.75Å; S266-M268 PolarHBondContact O-N 2.98Å; M268-N271 PolarHBondContact O-N 3.26Å; M268-Y272 PolarHBondContact O-N 2.91Å |
| 269 | A | 80.6 | Confident | 78.4 | Confident | 8 Ų | 8 | 54 Ų | 54 | 7% | 0.066 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71 | -33.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I44 G263 M264 S266 N271 Y272 | I44-A269 HydrophobicContact CD1-CB 4.17Å; G263-A269 WeakPolarHBondContact O-CB 3.45Å; M264-A269 HydrophobicContact SD-CB 4.4Å; S266-A269 WeakPolarHBondContact O-CA 3.46Å; S266-A269 PolarHBondContact O-N 2.85Å; S266-A269 VanDerWaalsContact OG-CB 3.31Å; S266-A269 WeakPolarHBondContact OG-CB 3.35Å; S266-A269 PolarHBondContact OG-N 3.29Å; A269-N271 VanDerWaalsContact C-N 3.26Å; A269-N271 PolarHBondContact O-N 2.89Å; A269-Y272 WeakPolarHBondContact O-CA 3.42Å; A269-Y272 WeakPolarHBondContact O-CB 3.47Å; A269-Y272 PolarHBondContact O-N 3.18Å |
| 270 | L | 78.6 | Confident | 77.8 | Confident | 66 Ų | 66 | 54.2 Ų | 54.2 | 35% | 0.346 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.2 | -29.9 | 173.2 | -69.6 | -178.8 | 0 | 0 | 0 | 113 | P213 A215 S266 K267 Y272 | P213-L270 HydrophobicContact CB-CD1 3.88Å; A215-L270 HydrophobicContact CB-CB 4.29Å; S266-L270 PolarHBondContact O-N 3.19Å; K267-L270 PolarHBondContact O-N 2.83Å; L270-Y272 VanDerWaalsContact C-N 3.25Å |
| 271 | N | 68.7 | Low | 77.3 | Confident | 76 Ų | 76 | 55.3 Ų | 55.3 | 41% | 0.406 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -8.6 | 171.7 | -75.6 | -70.1 | 0 | 0 | 0 | 113.4 | A215 K267 M268 A269 K273 | A215-N271 PolarHBondContact O-ND2 3.44Å; K267-N271 PolarHBondContact O-N 3.4Å; K267-N271 PolarHBondContact O-ND2 3.41Å; M268-N271 PolarHBondContact O-N 3.26Å; A269-N271 VanDerWaalsContact C-N 3.26Å; A269-N271 PolarHBondContact O-N 2.89Å; N271-K273 PolarHBondContact O-N 3.46Å |
| 272 | Y | 63.6 | Low | 76.9 | Confident | 74 Ų | 74 | 55.5 Ų | 55.5 | 29% | 0.29 | 28% | 0.281 | S | S | . | . | trans | -75.8 | 66.3 | 172.1 | -132.6 | -92.2 | 0 | 0 | 0 | 109.8 | M268 A269 L270 C274 R823 | M268-Y272 PolarHBondContact O-N 2.91Å; A269-Y272 WeakPolarHBondContact O-CA 3.42Å; A269-Y272 WeakPolarHBondContact O-CB 3.47Å; A269-Y272 PolarHBondContact O-N 3.18Å; L270-Y272 VanDerWaalsContact C-N 3.25Å; Y272-C274 PolarHBondContact O-N 3.32Å; Y272-C274 VanDerWaalsContact O-N 3.14Å; Y272-R823 PolarHBondContact OH-NH2 2.94Å | ||
| 273 | K | 54.7 | Low | 76.4 | Confident | 150 Ų | 150 | 57.5 Ų | 57.5 | 65% | 0.652 | 29% | 0.29 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 121.8 | 169.1 | -80.1 | -173.6 | 178.3 | 177 | 0 | 108.1 | N271 K275 | N271-K273 PolarHBondContact O-N 3.46Å; K273-K275 PolarHBondContact O-N 3.36Å; K273-K275 VanDerWaalsContact O-N 3.08Å |
| 274 | C | 53.1 | Low | 76.3 | Confident | 121 Ų | 121 | 63.8 Ų | 63.8 | 82% | 0.818 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -49.4 | 121.3 | 171 | -86.6 | 0 | 0 | 0 | 0 | 108.5 | Y272 S276 | Y272-C274 PolarHBondContact O-N 3.32Å; Y272-C274 VanDerWaalsContact O-N 3.14Å; C274-S276 PolarHBondContact O-N 3.1Å; C274-S276 VanDerWaalsContact O-N 3.07Å |
| 275 | K | 57.5 | Low | 76.4 | Confident | 90 Ų | 90 | 61.1 Ų | 61.1 | 39% | 0.391 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -51.3 | 119.7 | 178.6 | -65.7 | -173.8 | -179.9 | -170.8 | 0 | 108.6 | K273 Q277 R823 N824 S825 | K273-K275 PolarHBondContact O-N 3.36Å; K273-K275 VanDerWaalsContact O-N 3.08Å; K275-Q277 PolarHBondContact O-N 3.13Å; K275-R823 WeakPolarHBondContact CE-O 3.33Å; K275-R823 PolarHBondContact NZ-O 3.25Å; K275-N824 WeakPolarHBondContact CE-O 3.15Å; K275-N824 PolarHBondContact NZ-O 2.87Å; K275-S825 PolarHBondContact NZ-O 3.2Å |
| 276 | S | 57.7 | Low | 76.2 | Confident | 104 Ų | 104 | 59.8 Ų | 59.8 | 73% | 0.727 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 135.5 | 167.9 | -175.1 | 0 | 0 | 0 | 0 | 107.9 | C274 K278 | C274-S276 PolarHBondContact O-N 3.1Å; C274-S276 VanDerWaalsContact O-N 3.07Å; S276-K278 PolarHBondContact O-N 2.62Å |
| 277 | Q | 65.9 | Low | 76.1 | Confident | 101 Ų | 101 | 61.4 Ų | 61.4 | 47% | 0.472 | 31% | 0.31 | S | S | . | . | trans | -67.7 | 111.1 | 177.9 | -172.2 | 172.9 | 13.2 | 0 | 0 | 108.9 | K275 | K275-Q277 PolarHBondContact O-N 3.13Š| ||
| 278 | K | 79.1 | Confident | 76.3 | Confident | 40 Ų | 40 | 64.9 Ų | 64.9 | 17% | 0.174 | 33% | 0.331 | C | S | . | . | trans | -72.5 | 143.5 | 173.1 | -55.6 | -168.1 | -173.9 | -178 | 0 | 108.8 | S276 L394 I804 Q805 A807 H808 D826 | S276-K278 PolarHBondContact O-N 2.62Å; K278-L394 HydrophobicContact CB-CD1 3.93Å; K278-L394 HydrophobicContact CB-CD2 4Å; K278-L394 HydrophobicContact CB-CG 4.5Å; K278-L394 HydrophobicContact CD-CD1 4Å; K278-L394 HydrophobicContact CG-CD1 4.49Å; K278-I804 PolarHBondContact NZ-O 2.78Å; K278-Q805 WeakPolarHBondContact CE-O 3.46Å; K278-A807 VanDerWaalsContact CE-O 3.26Å; K278-A807 WeakPolarHBondContact CE-O 3.27Å; K278-A807 PolarHBondContact NZ-O 2.91Å; K278-H808 WeakPolarHBondContact CD-O 3.49Å; K278-D826 WeakPolarHBondContact CE-OD2 3.42Å; K278-D826 IonicContact NZ-OD2 3.94Å; K278-D826 PolarHBondContact NZ-OD2 2.97Å | ||
| 279 | R | 78.8 | Confident | 76.7 | Confident | 151 Ų | 151 | 63.5 Ų | 63.5 | 57% | 0.57 | 32% | 0.324 | S | S | * | . | trans | -120.3 | 139.9 | 178.1 | -66.9 | -173.8 | -178.4 | 179.3 | -3.1 | 108.6 | ||||
| 280 | S | 84.3 | Confident | 77.1 | Confident | 4 Ų | 4 | 63.9 Ų | 63.9 | 3% | 0.028 | 33% | 0.325 | C | S | . | . | trans | -80.9 | 157.4 | -178.9 | 73 | 0 | 0 | 0 | 0 | 112.4 | V282 E283 K284 E396 E397 | S280-V282 PolarHBondContact O-N 2.99Å; S280-E283 PolarHBondContact O-N 3.36Å; S280-E283 PolarHBondContact OG-N 3.31Å; S280-K284 PolarHBondContact O-N 2.95Å; S280-E396 WeakPolarHBondContact CB-OE1 3.37Å; S280-E396 PolarHBondContact OG-OE1 3.4Å; S280-E397 VanDerWaalsContact CA-OE2 3.28Å; S280-E397 WeakPolarHBondContact CA-OE2 3.29Å; S280-E397 VanDerWaalsContact CB-OE2 3.23Å; S280-E397 WeakPolarHBondContact CB-OE2 3.44Å | ||
| 281 | A | 84.9 | Confident | 77.7 | Confident | 23 Ų | 23 | 65.2 Ų | 65.2 | 19% | 0.19 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.5 | -35.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K284 S285 E397 I790 | A281-K284 WeakPolarHBondContact O-CB 3.47Å; A281-K284 PolarHBondContact O-N 3.15Å; A281-S285 PolarHBondContact O-N 2.99Å; A281-E397 PolarHBondContact N-OE2 3.35Å; A281-I790 HydrophobicContact CB-CD1 4.33Å |
| 282 | V | 85.6 | Confident | 78.9 | Confident | 4 Ų | 4 | 63.9 Ų | 63.9 | 2% | 0.024 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 177 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | S280 K284 S285 M286 E396 Y847 I850 V854 L931 | S280-V282 PolarHBondContact O-N 2.99Å; V282-K284 VanDerWaalsContact C-N 3.27Å; V282-K284 PolarHBondContact O-N 3.01Å; V282-S285 PolarHBondContact O-N 3.25Å; V282-M286 WeakPolarHBondContact O-CB 3.47Å; V282-M286 PolarHBondContact O-N 3.01Å; V282-E396 HydrophobicContact CB-CG 4Å; V282-E396 HydrophobicContact CG2-CB 4.43Å; V282-E396 HydrophobicContact CG2-CG 3.63Å; V282-Y847 HydrophobicContact CG2-CD2 4.46Å; V282-Y847 HydrophobicContact CG2-CE2 4.37Å; V282-I850 HydrophobicContact CG1-CD1 3.99Å; V282-I850 HydrophobicContact CG1-CG1 4.14Å; V282-I850 HydrophobicContact CG1-CG2 4.12Å; V282-I850 HydrophobicContact CG2-CG2 4.12Å; V282-V854 HydrophobicContact CG1-CG2 4.41Å; V282-L931 HydrophobicContact CB-CD1 4.03Å; V282-L931 HydrophobicContact CG1-CD1 3.62Å; V282-L931 HydrophobicContact CG2-CD1 3.69Å |
| 283 | E | 85.3 | Confident | 80.2 | Confident | 43 Ų | 43 | 60.4 Ų | 60.4 | 20% | 0.201 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.7 | -38.7 | 176.4 | -172.1 | -172.3 | 159.2 | 0 | 0 | 111.4 | S280 M286 N287 | S280-E283 PolarHBondContact O-N 3.36Å; S280-E283 PolarHBondContact OG-N 3.31Å; E283-M286 HydrophobicContact CG-CE 4.24Å; E283-M286 PolarHBondContact O-N 2.68Å; E283-N287 WeakPolarHBondContact O-CB 3.39Å; E283-N287 VanDerWaalsContact O-CG 3.24Å; E283-N287 PolarHBondContact O-N 3.32Å; E283-N287 PolarHBondContact O-ND2 3.01Å |
| 284 | K | 87 | Confident | 82 | Confident | 131 Ų | 131 | 56 Ų | 56 | 57% | 0.57 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -65.5 | -43.9 | 176.9 | -171.9 | -177.4 | 175.7 | -170.7 | 0 | 112.4 | S280 A281 V282 N287 T288 | S280-K284 PolarHBondContact O-N 2.95Å; A281-K284 WeakPolarHBondContact O-CB 3.47Å; A281-K284 PolarHBondContact O-N 3.15Å; V282-K284 VanDerWaalsContact C-N 3.27Å; V282-K284 PolarHBondContact O-N 3.01Å; K284-N287 PolarHBondContact O-N 3.08Å; K284-T288 PolarHBondContact O-N 3Å; K284-T288 VanDerWaalsContact O-N 3.12Å; K284-T288 PolarHBondContact O-OG1 3.49Å |
| 285 | S | 88.9 | Confident | 84 | Confident | 25 Ų | 25 | 54.8 Ų | 54.8 | 18% | 0.175 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.3 | -44 | 174.6 | -67.5 | 0 | 0 | 0 | 0 | 111.6 | A281 V282 N287 T288 F289 N928 | A281-S285 PolarHBondContact O-N 2.99Å; V282-S285 PolarHBondContact O-N 3.25Å; S285-N287 PolarHBondContact O-N 3.2Å; S285-T288 WeakPolarHBondContact O-CA 3.48Å; S285-T288 VanDerWaalsContact O-CB 3.3Å; S285-T288 WeakPolarHBondContact O-CB 3.26Å; S285-T288 PolarHBondContact O-N 3.21Å; S285-F289 WeakPolarHBondContact O-CG 3.29Å; S285-F289 PolarHBondContact O-N 3.48Å; S285-N928 PolarHBondContact OG-ND2 3.3Å |
| 286 | M | 88.4 | Confident | 85.7 | Confident | 7 Ų | 7 | 52.2 Ų | 52.2 | 3% | 0.034 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.2 | -45.9 | 176.2 | -177.6 | -178.4 | 65.9 | 0 | 0 | 111.8 | V282 E283 T288 F289 L290 L357 Y358 V854 | V282-M286 WeakPolarHBondContact O-CB 3.47Å; V282-M286 PolarHBondContact O-N 3.01Å; E283-M286 HydrophobicContact CG-CE 4.24Å; E283-M286 PolarHBondContact O-N 2.68Å; M286-T288 PolarHBondContact O-N 2.59Å; M286-F289 PolarHBondContact O-N 3.48Å; M286-L290 HydrophobicContact CG-CD1 4.25Å; M286-L290 WeakPolarHBondContact O-CG 3.4Å; M286-L290 PolarHBondContact O-N 2.88Å; M286-L357 HydrophobicContact CG-CD2 3.91Å; M286-L357 HydrophobicContact SD-CD1 4.37Å; M286-L357 HydrophobicContact SD-CD2 3.6Å; M286-L357 HydrophobicContact SD-CG 3.85Å; M286-Y358 HydrophobicContact CE-CD1 3.66Å; M286-Y358 HydrophobicContact CE-CE1 3.13Å; M286-Y358 HydrophobicContact CE-CE2 4.34Å; M286-Y358 HydrophobicContact CE-CG 4.48Å; M286-Y358 HydrophobicContact SD-CE1 4.38Å; M286-V854 HydrophobicContact CG-CG1 4.39Å |
| 287 | N | 87.8 | Confident | 87.4 | Confident | 35 Ų | 35 | 47.3 Ų | 47.3 | 19% | 0.187 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.8 | -32.4 | 174.8 | -70.6 | -29.2 | 0 | 0 | 0 | 112.4 | E283 K284 S285 I291 Y358 | E283-N287 WeakPolarHBondContact O-CB 3.39Å; E283-N287 VanDerWaalsContact O-CG 3.24Å; E283-N287 PolarHBondContact O-N 3.32Å; E283-N287 PolarHBondContact O-ND2 3.01Å; K284-N287 PolarHBondContact O-N 3.08Å; S285-N287 PolarHBondContact O-N 3.2Å; N287-I291 WeakPolarHBondContact O-CG1 3.38Å; N287-I291 PolarHBondContact O-N 3.3Å; N287-Y358 PolarHBondContact OD1-OH 3.13Å |
| 288 | T | 89.6 | Confident | 88.8 | Confident | 73 Ų | 73 | 45.9 Ų | 45.9 | 45% | 0.448 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -70.1 | -42.7 | 175.9 | -52.9 | 0 | 0 | 0 | 0 | 110.9 | K284 S285 M286 L290 I291 I292 | K284-T288 PolarHBondContact O-N 3Å; K284-T288 VanDerWaalsContact O-N 3.12Å; K284-T288 PolarHBondContact O-OG1 3.49Å; S285-T288 WeakPolarHBondContact O-CA 3.48Å; S285-T288 VanDerWaalsContact O-CB 3.3Å; S285-T288 WeakPolarHBondContact O-CB 3.26Å; S285-T288 PolarHBondContact O-N 3.21Å; M286-T288 PolarHBondContact O-N 2.59Å; T288-L290 VanDerWaalsContact C-N 3.34Å; T288-L290 PolarHBondContact O-N 3.38Å; T288-I291 PolarHBondContact O-N 2.96Å; T288-I292 PolarHBondContact O-N 3.02Å |
| 289 | F | 91.4 | Very high | 89.5 | Confident | 7 Ų | 7 | 47.1 Ų | 47.1 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.3 | -38.9 | 174.9 | -60 | -21.6 | 0 | 0 | 0 | 112.4 | S285 M286 I291 I292 Y293 V854 F858 L931 F936 | S285-F289 WeakPolarHBondContact O-CG 3.29Å; S285-F289 PolarHBondContact O-N 3.48Å; M286-F289 PolarHBondContact O-N 3.48Å; F289-I291 VanDerWaalsContact C-N 3.32Å; F289-I291 PolarHBondContact O-N 3.21Å; F289-I292 HydrophobicContact CD1-CD1 4.47Å; F289-I292 WeakPolarHBondContact O-CB 3.39Å; F289-I292 PolarHBondContact O-N 3.38Å; F289-I292 VanDerWaalsContact O-N 3.13Å; F289-Y293 WeakPolarHBondContact O-CD2 3.27Å; F289-Y293 PolarHBondContact O-N 3.2Å; F289-V854 HydrophobicContact CD2-CG1 4.44Å; F289-F858 HydrophobicContact CB-CE2 3.83Å; F289-F858 HydrophobicContact CB-CZ 3.95Å; F289-F858 HydrophobicContact CD2-CD2 4.41Å; F289-F858 HydrophobicContact CD2-CE2 4.01Å; F289-F858 HydrophobicContact CG-CE2 4.44Å; F289-L931 HydrophobicContact CE2-CB 4.4Å; F289-L931 HydrophobicContact CE2-CD2 4.1Å; F289-L931 HydrophobicContact CZ-CB 4.45Å; F289-L931 WeakPolarHBondContact CZ-O 3.44Å; F289-F936 HydrophobicContact CB-CD2 4.21Å; F289-F936 HydrophobicContact CB-CE2 3.71Å; F289-F936 HydrophobicContact CB-CZ 4.1Å; F289-F936 HydrophobicContact CD1-CB 4.37Å; F289-F936 HydrophobicContact CD1-CD1 4.02Å; F289-F936 AromaticContact CD1-CD2 3.72Å; F289-F936 HydrophobicContact CD1-CD2 3.72Å; F289-F936 HydrophobicContact CD1-CE1 4.24Å; F289-F936 AromaticContact CD1-CE2 3.94Å; F289-F936 HydrophobicContact CD1-CE2 3.94Å; F289-F936 AromaticContact CD1-CG 3.75Å; F289-F936 HydrophobicContact CD1-CG 3.75Å; F289-F936 HydrophobicContact CD1-CZ 4.2Å; F289-F936 AromaticContact CD2-CD2 3.68Å; F289-F936 HydrophobicContact CD2-CD2 3.68Å; F289-F936 HydrophobicContact CD2-CE2 4.03Å; F289-F936 HydrophobicContact CD2-CG 4.37Å; F289-F936 HydrophobicContact CE1-CB 3.75Å; F289-F936 HydrophobicContact CE1-CD1 4.08Å; F289-F936 AromaticContact CE1-CD2 3.92Å; F289-F936 HydrophobicContact CE1-CD2 3.92Å; F289-F936 AromaticContact CE1-CG 3.62Å; F289-F936 HydrophobicContact CE1-CG 3.62Å; F289-F936 HydrophobicContact CE2-CB 4.21Å; F289-F936 AromaticContact CE2-CD2 3.87Å; F289-F936 HydrophobicContact CE2-CD2 3.87Å; F289-F936 HydrophobicContact CE2-CG 4.25Å; F289-F936 AromaticContact CG-CD2 3.6Å; F289-F936 HydrophobicContact CG-CD2 3.6Å; F289-F936 AromaticContact CG-CE2 3.64Å; F289-F936 HydrophobicContact CG-CE2 3.64Å; F289-F936 HydrophobicContact CG-CG 4.14Å; F289-F936 HydrophobicContact CG-CZ 4.22Å; F289-F936 HydrophobicContact CZ-CB 3.65Å; F289-F936 AromaticContact CZ-CD2 3.98Å; F289-F936 HydrophobicContact CZ-CD2 3.98Å; F289-F936 AromaticContact CZ-CG 3.88Å; F289-F936 HydrophobicContact CZ-CG 3.88Å |
| 290 | L | 89.3 | Confident | 90.3 | Very high | 16 Ų | 16 | 40.6 Ų | 40.6 | 8% | 0.084 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.1 | -38.8 | 176.1 | -71.8 | 165.2 | 0 | 0 | 0 | 112.6 | M286 T288 I292 Y293 L294 I353 Y358 F858 | M286-L290 HydrophobicContact CG-CD1 4.25Å; M286-L290 WeakPolarHBondContact O-CG 3.4Å; M286-L290 PolarHBondContact O-N 2.88Å; T288-L290 VanDerWaalsContact C-N 3.34Å; T288-L290 PolarHBondContact O-N 3.38Å; L290-I292 VanDerWaalsContact C-N 3.3Å; L290-I292 PolarHBondContact O-N 2.66Å; L290-Y293 PolarHBondContact O-N 2.99Å; L290-L294 WeakPolarHBondContact O-CB 3.45Å; L290-L294 PolarHBondContact O-N 2.87Å; L290-I353 HydrophobicContact CD2-CG2 3.59Å; L290-Y358 HydrophobicContact CD1-CE2 3.59Å; L290-Y358 WeakPolarHBondContact CD1-OH 3.36Å; L290-F858 HydrophobicContact CD2-CE1 3.81Å; L290-F858 HydrophobicContact CD2-CZ 3.86Å; L290-F858 HydrophobicContact CG-CE1 4.37Å; L290-F858 HydrophobicContact CG-CZ 3.98Å |
| 291 | I | 90.4 | Very high | 90.8 | Very high | 94 Ų | 94 | 40.4 Ų | 40.4 | 48% | 0.482 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.7 | -41 | 174.6 | -67.6 | 165.8 | 0 | 0 | 0 | 110.4 | N287 T288 F289 L294 V295 | N287-I291 WeakPolarHBondContact O-CG1 3.38Å; N287-I291 PolarHBondContact O-N 3.3Å; T288-I291 PolarHBondContact O-N 2.96Å; F289-I291 VanDerWaalsContact C-N 3.32Å; F289-I291 PolarHBondContact O-N 3.21Å; I291-L294 WeakPolarHBondContact O-CB 3.45Å; I291-L294 PolarHBondContact O-N 2.81Å; I291-V295 WeakPolarHBondContact O-CG2 3.26Å; I291-V295 PolarHBondContact O-N 3.17Å |
| 292 | I | 92.8 | Very high | 91.3 | Very high | 49 Ų | 49 | 42.5 Ų | 42.5 | 25% | 0.251 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.3 | -46 | 176.7 | -64.5 | 163.2 | 0 | 0 | 0 | 110.7 | T288 F289 L290 L294 V295 I296 F933 F936 | T288-I292 PolarHBondContact O-N 3.02Å; F289-I292 HydrophobicContact CD1-CD1 4.47Å; F289-I292 WeakPolarHBondContact O-CB 3.39Å; F289-I292 PolarHBondContact O-N 3.38Å; F289-I292 VanDerWaalsContact O-N 3.13Å; L290-I292 VanDerWaalsContact C-N 3.3Å; L290-I292 PolarHBondContact O-N 2.66Å; I292-L294 VanDerWaalsContact C-N 3.32Å; I292-L294 PolarHBondContact O-N 2.96Å; I292-V295 WeakPolarHBondContact O-CB 3.37Å; I292-V295 PolarHBondContact O-N 3.49Å; I292-V295 VanDerWaalsContact O-N 3.13Å; I292-I296 HydrophobicContact CG2-CD1 4.13Å; I292-I296 WeakPolarHBondContact O-CG1 3.49Å; I292-I296 PolarHBondContact O-N 3.11Å; I292-F933 HydrophobicContact CD1-CD2 4.34Å; I292-F933 HydrophobicContact CD1-CE2 3.86Å; I292-F936 HydrophobicContact CD1-CE1 4.04Å; I292-F936 HydrophobicContact CG2-CE1 4.25Å; I292-F936 HydrophobicContact CG2-CZ 4.47Å |
| 293 | Y | 92.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.9 | -32.9 | 176.7 | -82.4 | -68.2 | 0 | 0 | 0 | 113.6 | F289 L290 V295 I296 L297 I352 F858 V862 F936 T940 | F289-Y293 WeakPolarHBondContact O-CD2 3.27Å; F289-Y293 PolarHBondContact O-N 3.2Å; L290-Y293 PolarHBondContact O-N 2.99Å; Y293-V295 VanDerWaalsContact C-N 3.3Å; Y293-V295 PolarHBondContact O-N 3.45Å; Y293-I296 HydrophobicContact CD1-CD1 4.11Å; Y293-I296 HydrophobicContact CE1-CD1 4.3Å; Y293-I296 PolarHBondContact O-N 2.83Å; Y293-L297 VanDerWaalsContact O-CB 3.26Å; Y293-L297 WeakPolarHBondContact O-CB 3.47Å; Y293-L297 PolarHBondContact O-N 2.86Å; Y293-I352 HydrophobicContact CD1-CD1 3.91Å; Y293-I352 HydrophobicContact CD1-CG1 3.8Å; Y293-I352 HydrophobicContact CE1-CD1 4.39Å; Y293-I352 HydrophobicContact CE1-CG1 4.27Å; Y293-F858 AromaticContact CD2-CD1 3.4Å; Y293-F858 HydrophobicContact CD2-CD1 3.4Å; Y293-F858 VanDerWaalsContact CD2-CD1 3.4Å; Y293-F858 AromaticContact CD2-CE1 3.52Å; Y293-F858 HydrophobicContact CD2-CE1 3.52Å; Y293-F858 HydrophobicContact CD2-CG 4.2Å; Y293-F858 HydrophobicContact CD2-CZ 4.39Å; Y293-F858 HydrophobicContact CE2-CB 3.76Å; Y293-F858 AromaticContact CE2-CD1 3.1Å; Y293-F858 HydrophobicContact CE2-CD1 3.1Å; Y293-F858 HydrophobicContact CE2-CD2 4.35Å; Y293-F858 AromaticContact CE2-CE1 3.7Å; Y293-F858 HydrophobicContact CE2-CE1 3.7Å; Y293-F858 AromaticContact CE2-CG 3.49Å; Y293-F858 HydrophobicContact CE2-CG 3.49Å; Y293-F858 VanDerWaalsContact CE2-CG 3.49Å; Y293-F858 HydrophobicContact CG-CD1 4.39Å; Y293-F858 AromaticContact CZ-CD1 3.95Å; Y293-V862 HydrophobicContact CE1-CG2 3.46Å; Y293-V862 VanDerWaalsContact CE1-CG2 3.46Å; Y293-V862 VanDerWaalsContact OH-CG2 3.29Å; Y293-V862 WeakPolarHBondContact OH-CG2 3.48Å; Y293-F936 HydrophobicContact CD2-CE2 4.38Å; Y293-F936 HydrophobicContact CD2-CZ 4.17Å; Y293-F936 AromaticContact CE2-CE2 3.56Å; Y293-F936 HydrophobicContact CE2-CE2 3.56Å; Y293-F936 AromaticContact CE2-CZ 3.56Å; Y293-F936 HydrophobicContact CE2-CZ 3.56Å; Y293-T940 HydrophobicContact CE1-CG2 4.49Å; Y293-T940 PolarHBondContact OH-OG1 2.87Å; Y293-T940 VanDerWaalsContact OH-OG1 3.13Å |
| 294 | L | 92.1 | Very high | 92.2 | Very high | 59 Ų | 59 | 44 Ų | 44 | 31% | 0.309 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.8 | -39.5 | 171.8 | -177.2 | 65.5 | 0 | 0 | 0 | 111.1 | Y70 L290 I291 I292 L297 L298 I353 | Y70-L294 HydrophobicContact CD2-CD1 4.05Å; Y70-L294 HydrophobicContact CE2-CD1 3.84Å; L290-L294 WeakPolarHBondContact O-CB 3.45Å; L290-L294 PolarHBondContact O-N 2.87Å; I291-L294 WeakPolarHBondContact O-CB 3.45Å; I291-L294 PolarHBondContact O-N 2.81Å; I292-L294 VanDerWaalsContact C-N 3.32Å; I292-L294 PolarHBondContact O-N 2.96Å; L294-L297 HydrophobicContact CD1-CD2 4.42Å; L294-L298 HydrophobicContact CG-CD1 4.32Å; L294-L298 WeakPolarHBondContact O-CB 3.39Å; L294-L298 VanDerWaalsContact O-CG 3.26Å; L294-L298 WeakPolarHBondContact O-CG 3.41Å; L294-L298 PolarHBondContact O-N 2.96Å; L294-I353 HydrophobicContact CB-CD1 4.29Å; L294-I353 HydrophobicContact CD1-CD1 4.19Å |
| 295 | V | 94 | Very high | 92.6 | Very high | 94 Ų | 94 | 37.8 Ų | 37.8 | 57% | 0.57 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -65.8 | -43.8 | 174.2 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | I291 I292 Y293 L298 S299 | I291-V295 WeakPolarHBondContact O-CG2 3.26Å; I291-V295 PolarHBondContact O-N 3.17Å; I292-V295 WeakPolarHBondContact O-CB 3.37Å; I292-V295 PolarHBondContact O-N 3.49Å; I292-V295 VanDerWaalsContact O-N 3.13Å; Y293-V295 VanDerWaalsContact C-N 3.3Å; Y293-V295 PolarHBondContact O-N 3.45Å; V295-L298 PolarHBondContact O-N 3.44Å; V295-S299 WeakPolarHBondContact O-CB 3.42Å; V295-S299 PolarHBondContact O-N 2.88Å; V295-S299 PolarHBondContact O-OG 3.32Å |
| 296 | I | 93.1 | Very high | 92.8 | Very high | 37 Ų | 37 | 41.2 Ų | 41.2 | 19% | 0.19 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.3 | -49.7 | 175.6 | -67 | 169.6 | 0 | 0 | 0 | 110.2 | I292 Y293 L298 S299 E300 I352 | I292-I296 HydrophobicContact CG2-CD1 4.13Å; I292-I296 WeakPolarHBondContact O-CG1 3.49Å; I292-I296 PolarHBondContact O-N 3.11Å; Y293-I296 HydrophobicContact CD1-CD1 4.11Å; Y293-I296 HydrophobicContact CE1-CD1 4.3Å; Y293-I296 PolarHBondContact O-N 2.83Å; I296-L298 PolarHBondContact O-N 3.2Å; I296-S299 WeakPolarHBondContact CA-OG 3.12Å; I296-S299 WeakPolarHBondContact O-CB 3.45Å; I296-S299 PolarHBondContact O-N 3.07Å; I296-S299 VanDerWaalsContact O-N 3.08Å; I296-S299 PolarHBondContact O-OG 3.28Å; I296-E300 HydrophobicContact CG2-CG 4.37Å; I296-E300 WeakPolarHBondContact O-CG 3.24Å; I296-E300 PolarHBondContact O-N 3.37Å; I296-I352 HydrophobicContact CG2-CD1 3.87Å |
| 297 | L | 94.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -54.3 | -50.6 | 177.4 | 173.3 | 61.4 | 0 | 0 | 0 | 112.3 | Y70 Y293 L294 S299 E300 A301 L346 Y349 I352 I353 | Y70-L297 HydrophobicContact CE2-CD2 4.19Å; Y70-L297 WeakPolarHBondContact OH-CD2 3.44Å; Y293-L297 VanDerWaalsContact O-CB 3.26Å; Y293-L297 WeakPolarHBondContact O-CB 3.47Å; Y293-L297 PolarHBondContact O-N 2.86Å; L294-L297 HydrophobicContact CD1-CD2 4.42Å; L297-S299 VanDerWaalsContact C-N 3.27Å; L297-S299 PolarHBondContact O-N 2.92Å; L297-E300 PolarHBondContact O-N 3.42Å; L297-A301 WeakPolarHBondContact O-CB 3.45Å; L297-A301 PolarHBondContact O-N 2.85Å; L297-L346 HydrophobicContact CD1-CD1 4.34Å; L297-L346 HydrophobicContact CD2-CD1 3.81Å; L297-L346 HydrophobicContact CG-CD1 3.84Å; L297-Y349 WeakPolarHBondContact CD1-O 3.44Å; L297-I352 HydrophobicContact CB-CG2 3.9Å; L297-I352 HydrophobicContact CD1-CG2 3.98Å; L297-I352 HydrophobicContact CD2-CG2 4.31Å; L297-I352 HydrophobicContact CG-CG2 4.28Å; L297-I353 HydrophobicContact CD2-CD1 4.31Å |
| 298 | L | 94.7 | Very high | 93.3 | Very high | 72 Ų | 72 | 42.1 Ų | 42.1 | 38% | 0.377 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.3 | -39.3 | 178.7 | -71.7 | 171 | 0 | 0 | 0 | 110.8 | L294 V295 I296 A301 V302 F342 L346 | L294-L298 HydrophobicContact CG-CD1 4.32Å; L294-L298 WeakPolarHBondContact O-CB 3.39Å; L294-L298 VanDerWaalsContact O-CG 3.26Å; L294-L298 WeakPolarHBondContact O-CG 3.41Å; L294-L298 PolarHBondContact O-N 2.96Å; V295-L298 PolarHBondContact O-N 3.44Å; I296-L298 PolarHBondContact O-N 3.2Å; L298-A301 PolarHBondContact O-N 3.4Å; L298-V302 WeakPolarHBondContact O-CB 3.36Å; L298-V302 VanDerWaalsContact O-CG2 3.26Å; L298-V302 WeakPolarHBondContact O-CG2 3.41Å; L298-V302 PolarHBondContact O-N 3.07Å; L298-F342 HydrophobicContact CD2-CZ 4.1Å; L298-L346 HydrophobicContact CD2-CD1 4.01Å |
| 299 | S | 95 | Very high | 93.4 | Very high | 66 Ų | 66 | 42 Ų | 42 | 46% | 0.462 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.3 | -40.8 | 177.2 | 74.5 | 0 | 0 | 0 | 0 | 112.7 | V295 I296 L297 L303 | V295-S299 WeakPolarHBondContact O-CB 3.42Å; V295-S299 PolarHBondContact O-N 2.88Å; V295-S299 PolarHBondContact O-OG 3.32Å; I296-S299 WeakPolarHBondContact CA-OG 3.12Å; I296-S299 WeakPolarHBondContact O-CB 3.45Å; I296-S299 PolarHBondContact O-N 3.07Å; I296-S299 VanDerWaalsContact O-N 3.08Å; I296-S299 PolarHBondContact O-OG 3.28Å; L297-S299 VanDerWaalsContact C-N 3.27Å; L297-S299 PolarHBondContact O-N 2.92Å; S299-L303 WeakPolarHBondContact O-CB 3.24Å; S299-L303 PolarHBondContact O-N 2.76Å |
| 300 | E | 94.1 | Very high | 93.3 | Very high | 13 Ų | 13 | 44.2 Ų | 44.2 | 6% | 0.061 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.2 | -41.2 | 176.7 | -72.6 | 177.2 | 169.7 | 0 | 0 | 111.6 | I296 L297 S304 Y349 F869 | I296-E300 HydrophobicContact CG2-CG 4.37Å; I296-E300 WeakPolarHBondContact O-CG 3.24Å; I296-E300 PolarHBondContact O-N 3.37Å; L297-E300 PolarHBondContact O-N 3.42Å; E300-S304 VanDerWaalsContact O-CB 3.27Å; E300-S304 WeakPolarHBondContact O-CB 3.34Å; E300-S304 PolarHBondContact O-N 2.85Å; E300-S304 PolarHBondContact O-OG 3.3Å; E300-Y349 HydrophobicContact CB-CD2 3.97Å; E300-Y349 HydrophobicContact CB-CE2 4.13Å; E300-F869 HydrophobicContact CB-CD2 4.2Å; E300-F869 HydrophobicContact CB-CE2 4.21Å; E300-F869 HydrophobicContact CG-CD2 4.28Å; E300-F869 HydrophobicContact CG-CE2 4.27Å |
| 301 | A | 95.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.2 | -45.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | L297 L298 S304 T305 F342 F345 | L297-A301 WeakPolarHBondContact O-CB 3.45Å; L297-A301 PolarHBondContact O-N 2.85Å; L298-A301 PolarHBondContact O-N 3.4Å; A301-S304 PolarHBondContact O-N 3.17Å; A301-T305 WeakPolarHBondContact O-CB 3.35Å; A301-T305 PolarHBondContact O-N 2.98Å; A301-T305 PolarHBondContact O-OG1 3.21Å; A301-F342 HydrophobicContact CB-CD2 4.19Å; A301-F342 HydrophobicContact CB-CE2 3.82Å; A301-F345 HydrophobicContact CB-CB 4.07Å |
| 302 | V | 95.4 | Very high | 93.1 | Very high | 67 Ų | 67 | 46.8 Ų | 46.8 | 41% | 0.406 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.8 | -47.8 | 175.4 | 169.8 | 0 | 0 | 0 | 0 | 110.5 | L298 S304 T305 I306 F342 | L298-V302 WeakPolarHBondContact O-CB 3.36Å; L298-V302 VanDerWaalsContact O-CG2 3.26Å; L298-V302 WeakPolarHBondContact O-CG2 3.41Å; L298-V302 PolarHBondContact O-N 3.07Å; V302-S304 PolarHBondContact O-N 3.28Å; V302-T305 PolarHBondContact O-N 3.22Å; V302-I306 HydrophobicContact CG1-CD1 3.67Å; V302-I306 HydrophobicContact CG1-CG1 4.34Å; V302-I306 WeakPolarHBondContact O-CG1 3.41Å; V302-I306 PolarHBondContact O-N 3.33Å; V302-F342 HydrophobicContact CG2-CD2 4.33Å; V302-F342 HydrophobicContact CG2-CE2 3.69Å |
| 303 | L | 95.7 | Very high | 92.7 | Very high | 78 Ų | 78 | 49.1 Ų | 49.1 | 41% | 0.408 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 179 | 179.7 | 61.3 | 0 | 0 | 0 | 111.5 | S299 T305 I306 L307 F869 | S299-L303 WeakPolarHBondContact O-CB 3.24Å; S299-L303 PolarHBondContact O-N 2.76Å; L303-T305 VanDerWaalsContact C-N 3.3Å; L303-T305 PolarHBondContact O-N 3.14Å; L303-I306 PolarHBondContact O-N 2.92Å; L303-L307 HydrophobicContact CD1-CD1 3.93Å; L303-L307 HydrophobicContact CD1-CG 4.11Å; L303-L307 HydrophobicContact CG-CD1 3.92Å; L303-L307 HydrophobicContact CG-CG 4.46Å; L303-L307 WeakPolarHBondContact O-CB 3.41Å; L303-L307 VanDerWaalsContact O-CG 3.27Å; L303-L307 WeakPolarHBondContact O-CG 3.49Å; L303-L307 PolarHBondContact O-N 2.88Å; L303-F869 HydrophobicContact CD2-CZ 4.2Å |
| 304 | S | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.9 | -39.2 | 178 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | E300 A301 V302 K308 Y349 | E300-S304 VanDerWaalsContact O-CB 3.27Å; E300-S304 WeakPolarHBondContact O-CB 3.34Å; E300-S304 PolarHBondContact O-N 2.85Å; E300-S304 PolarHBondContact O-OG 3.3Å; A301-S304 PolarHBondContact O-N 3.17Å; V302-S304 PolarHBondContact O-N 3.28Å; S304-K308 WeakPolarHBondContact O-CB 3.45Å; S304-K308 PolarHBondContact O-N 3.06Å; S304-Y349 WeakPolarHBondContact OG-CE2 3.44Å; S304-Y349 PolarHBondContact OG-OH 3.29Å |
| 305 | T | 94.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.7 | -46.8 | 177.2 | -51.4 | 0 | 0 | 0 | 0 | 111.1 | A301 V302 L303 L307 K308 Y309 F338 F342 | A301-T305 WeakPolarHBondContact O-CB 3.35Å; A301-T305 PolarHBondContact O-N 2.98Å; A301-T305 PolarHBondContact O-OG1 3.21Å; V302-T305 PolarHBondContact O-N 3.22Å; L303-T305 VanDerWaalsContact C-N 3.3Å; L303-T305 PolarHBondContact O-N 3.14Å; T305-L307 VanDerWaalsContact C-N 3.32Å; T305-L307 PolarHBondContact O-N 3.14Å; T305-K308 WeakPolarHBondContact O-CB 3.22Å; T305-K308 PolarHBondContact O-N 3.41Å; T305-Y309 HydrophobicContact CG2-CD2 3.99Å; T305-Y309 HydrophobicContact CG2-CE2 3.92Å; T305-Y309 VanDerWaalsContact O-CD2 3.3Å; T305-Y309 WeakPolarHBondContact O-CD2 3.17Å; T305-Y309 PolarHBondContact O-N 3.42Å; T305-Y309 VanDerWaalsContact O-N 3.14Å; T305-F338 HydrophobicContact CG2-CD2 3.98Å; T305-F338 HydrophobicContact CG2-CE2 3.61Å; T305-F338 HydrophobicContact CG2-CZ 4Å; T305-F342 HydrophobicContact CG2-CB 4.33Å; T305-F342 WeakPolarHBondContact OG1-CA 3.39Å |
| 306 | I | 94 | Very high | 90.6 | Very high | 98 Ų | 98 | 62.9 Ų | 62.9 | 50% | 0.503 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.5 | -45.9 | 177.2 | -69 | 168.9 | 0 | 0 | 0 | 110.4 | V302 L303 Y309 A310 | V302-I306 HydrophobicContact CG1-CD1 3.67Å; V302-I306 HydrophobicContact CG1-CG1 4.34Å; V302-I306 WeakPolarHBondContact O-CG1 3.41Å; V302-I306 PolarHBondContact O-N 3.33Å; L303-I306 PolarHBondContact O-N 2.92Å; I306-Y309 PolarHBondContact O-N 2.95Å; I306-A310 WeakPolarHBondContact O-CB 3.14Å; I306-A310 PolarHBondContact O-N 2.93Å |
| 307 | L | 93.6 | Very high | 89.9 | Confident | 47 Ų | 47 | 66.3 Ų | 66.3 | 25% | 0.246 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.3 | -38.3 | 179.5 | -68.1 | 174.3 | 0 | 0 | 0 | 112 | L303 T305 Y309 A310 W311 F873 F877 | L303-L307 HydrophobicContact CD1-CD1 3.93Å; L303-L307 HydrophobicContact CD1-CG 4.11Å; L303-L307 HydrophobicContact CG-CD1 3.92Å; L303-L307 HydrophobicContact CG-CG 4.46Å; L303-L307 WeakPolarHBondContact O-CB 3.41Å; L303-L307 VanDerWaalsContact O-CG 3.27Å; L303-L307 WeakPolarHBondContact O-CG 3.49Å; L303-L307 PolarHBondContact O-N 2.88Å; T305-L307 VanDerWaalsContact C-N 3.32Å; T305-L307 PolarHBondContact O-N 3.14Å; L307-Y309 PolarHBondContact O-N 3.18Å; L307-A310 PolarHBondContact O-N 3.48Å; L307-W311 VanDerWaalsContact O-CD1 3.24Å; L307-W311 PolarHBondContact O-N 3.35Å; L307-F873 HydrophobicContact CD1-CE1 3.87Å; L307-F873 HydrophobicContact CD1-CZ 4.25Å; L307-F877 HydrophobicContact CB-CD1 4.46Å; L307-F877 HydrophobicContact CB-CD2 3.92Å; L307-F877 HydrophobicContact CB-CE1 4.1Å; L307-F877 HydrophobicContact CB-CE2 3.52Å; L307-F877 HydrophobicContact CB-CG 4.39Å; L307-F877 HydrophobicContact CB-CZ 3.62Å; L307-F877 HydrophobicContact CD1-CE1 4.06Å; L307-F877 HydrophobicContact CD1-CE2 4.06Å; L307-F877 HydrophobicContact CD1-CZ 3.44Å; L307-F877 VanDerWaalsContact CD1-CZ 3.44Å; L307-F877 HydrophobicContact CG-CE2 4.4Å; L307-F877 HydrophobicContact CG-CZ 4.17Å |
| 308 | K | 92.4 | Very high | 89.1 | Confident | 14 Ų | 14 | 68.9 Ų | 68.9 | 6% | 0.061 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -53.9 | -53.2 | 172.8 | -174.9 | 180 | -178.8 | 174.4 | 0 | 111.4 | S304 T305 A310 W311 Q312 D341 F345 F877 Q879 | S304-K308 WeakPolarHBondContact O-CB 3.45Å; S304-K308 PolarHBondContact O-N 3.06Å; T305-K308 WeakPolarHBondContact O-CB 3.22Å; T305-K308 PolarHBondContact O-N 3.41Å; K308-A310 VanDerWaalsContact C-N 3.34Å; K308-A310 PolarHBondContact O-N 2.73Å; K308-W311 PolarHBondContact O-N 3.06Å; K308-Q312 WeakPolarHBondContact O-CB 3.01Å; K308-Q312 WeakPolarHBondContact O-CG 3.26Å; K308-Q312 PolarHBondContact O-N 3.26Å; K308-D341 HydrophobicContact CD-CB 4.46Å; K308-D341 WeakPolarHBondContact CE-OD2 3.32Å; K308-D341 IonicContact NZ-OD1 2.9Å; K308-D341 PolarHBondContact NZ-OD1 3.38Å; K308-D341 IonicContact NZ-OD2 3.4Å; K308-D341 PolarHBondContact NZ-OD2 2.73Å; K308-F345 HydrophobicContact CB-CE2 4.41Å; K308-F345 HydrophobicContact CD-CE2 4.11Å; K308-F345 HydrophobicContact CD-CZ 4.36Å; K308-F877 HydrophobicContact CB-CB 3.67Å; K308-F877 HydrophobicContact CB-CG 4.48Å; K308-F877 WeakPolarHBondContact CD-O 3.23Å; K308-F877 HydrophobicContact CG-CB 4.1Å; K308-Q879 VanDerWaalsContact NZ-OE1 3.16Å |
| 309 | Y | 91.4 | Very high | 88.4 | Confident | 69 Ų | 69 | 68.6 Ų | 68.6 | 27% | 0.271 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70.9 | -28.6 | -179.3 | -77.9 | -74.2 | 0 | 0 | 0 | 113.3 | T305 I306 L307 S313 F338 D341 | T305-Y309 HydrophobicContact CG2-CD2 3.99Å; T305-Y309 HydrophobicContact CG2-CE2 3.92Å; T305-Y309 VanDerWaalsContact O-CD2 3.3Å; T305-Y309 WeakPolarHBondContact O-CD2 3.17Å; T305-Y309 PolarHBondContact O-N 3.42Å; T305-Y309 VanDerWaalsContact O-N 3.14Å; I306-Y309 PolarHBondContact O-N 2.95Å; L307-Y309 PolarHBondContact O-N 3.18Å; Y309-S313 PolarHBondContact O-N 2.68Å; Y309-S313 VanDerWaalsContact O-N 3.16Å; Y309-F338 AromaticContact CD2-CD2 3.78Å; Y309-F338 HydrophobicContact CD2-CD2 3.78Å; Y309-F338 HydrophobicContact CD2-CE2 4.17Å; Y309-F338 HydrophobicContact CE2-CB 4.17Å; Y309-F338 AromaticContact CE2-CD2 3.41Å; Y309-F338 HydrophobicContact CE2-CD2 3.41Å; Y309-F338 VanDerWaalsContact CE2-CD2 3.41Å; Y309-F338 HydrophobicContact CE2-CE2 4.18Å; Y309-F338 HydrophobicContact CE2-CG 4.18Å; Y309-F338 WeakPolarHBondContact OH-CA 3.33Å; Y309-F338 PolarHBondContact OH-N 3.38Å; Y309-F338 VanDerWaalsContact OH-N 3.09Å; Y309-D341 PolarHBondContact OH-OD2 3.37Å |
| 310 | A | 90.2 | Very high | 87.8 | Confident | 55 Ų | 55 | 66.4 Ų | 66.4 | 46% | 0.455 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I306 L307 K308 S313 | I306-A310 WeakPolarHBondContact O-CB 3.14Å; I306-A310 PolarHBondContact O-N 2.93Å; L307-A310 PolarHBondContact O-N 3.48Å; K308-A310 VanDerWaalsContact C-N 3.34Å; K308-A310 PolarHBondContact O-N 2.73Å; A310-S313 WeakPolarHBondContact O-CB 3.36Å; A310-S313 PolarHBondContact O-N 2.76Å; A310-S313 PolarHBondContact O-OG 3.21Å |
| 311 | W | 87.3 | Confident | 87.3 | Confident | 115 Ų | 115 | 74.5 Ų | 74.5 | 44% | 0.436 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.1 | -40.3 | 175.7 | -83 | 103.8 | 0 | 0 | 0 | 112.8 | L307 K308 S313 L876 | L307-W311 VanDerWaalsContact O-CD1 3.24Å; L307-W311 PolarHBondContact O-N 3.35Å; K308-W311 PolarHBondContact O-N 3.06Å; W311-S313 PolarHBondContact O-N 3.03Å; W311-L876 HydrophobicContact CD2-CD2 4.04Å; W311-L876 HydrophobicContact CE3-CD2 4.03Å; W311-L876 HydrophobicContact CZ3-CD2 4.29Å |
| 312 | Q | 87.1 | Confident | 86.7 | Confident | 49 Ų | 49 | 81.9 Ų | 81.9 | 23% | 0.229 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 1.5 | 177 | -69.2 | -177.6 | -21.5 | 0 | 0 | 114.2 | K308 E314 N318 | K308-Q312 WeakPolarHBondContact O-CB 3.01Å; K308-Q312 WeakPolarHBondContact O-CG 3.26Å; K308-Q312 PolarHBondContact O-N 3.26Å; Q312-E314 PolarHBondContact O-N 2.74Å; Q312-N318 HydrophobicContact CB-CB 4.36Å |
| 313 | S | 85.2 | Confident | 86.1 | Confident | 98 Ų | 98 | 84.1 Ų | 84.1 | 69% | 0.685 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -25.6 | 174.3 | 69.4 | 0 | 0 | 0 | 0 | 112.4 | Y309 A310 W311 | Y309-S313 PolarHBondContact O-N 2.68Å; Y309-S313 VanDerWaalsContact O-N 3.16Å; A310-S313 WeakPolarHBondContact O-CB 3.36Å; A310-S313 PolarHBondContact O-N 2.76Å; A310-S313 PolarHBondContact O-OG 3.21Å; W311-S313 PolarHBondContact O-N 3.03Å |
| 314 | E | 84.1 | Confident | 85.5 | Confident | 112 Ų | 112 | 87 Ų | 87 | 52% | 0.523 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -87.9 | 129.1 | 172 | -78.6 | 178.9 | -160.8 | 0 | 0 | 110.5 | Q312 E316 W317 N318 | Q312-E314 PolarHBondContact O-N 2.74Å; E314-E316 VanDerWaalsContact C-N 3.27Å; E314-E316 PolarHBondContact O-N 2.76Å; E314-W317 PolarHBondContact O-N 3.36Å; E314-W317 VanDerWaalsContact O-N 3.14Å; E314-W317 PolarHBondContact OE2-NE1 3.48Å; E314-N318 PolarHBondContact O-N 3.27Å |
| 315 | E | 73.9 | Confident | 85 | Confident | 175 Ų | 175 | 89.6 Ų | 89.6 | 82% | 0.818 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63.4 | -32.6 | -172.3 | -155.2 | 168.7 | -160 | 0 | 0 | 112.5 | W317 N318 E319 | E315-W317 VanDerWaalsContact C-N 3.29Å; E315-W317 PolarHBondContact O-N 2.97Å; E315-N318 PolarHBondContact O-N 3.03Å; E315-E319 PolarHBondContact O-N 3.04Å |
| 316 | E | 75.8 | Confident | 84.5 | Confident | 154 Ų | 154 | 93.2 Ų | 93.2 | 72% | 0.72 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62.2 | -33.1 | 176.8 | -62.9 | -171 | 171.7 | 0 | 0 | 113.2 | E314 | E314-E316 VanDerWaalsContact C-N 3.27Å; E314-E316 PolarHBondContact O-N 2.76Å |
| 317 | W | 78.1 | Confident | 83.8 | Confident | 109 Ų | 109 | 96 Ų | 96 | 41% | 0.413 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -94.2 | -18.1 | -178.3 | -59.2 | 110.3 | 0 | 0 | 0 | 113.1 | E314 E315 L876 | E314-W317 PolarHBondContact O-N 3.36Å; E314-W317 VanDerWaalsContact O-N 3.14Å; E314-W317 PolarHBondContact OE2-NE1 3.48Å; E315-W317 VanDerWaalsContact C-N 3.29Å; E315-W317 PolarHBondContact O-N 2.97Å; W317-L876 HydrophobicContact CE3-CD1 3.75Å; W317-L876 HydrophobicContact CZ3-CD1 3.99Å |
| 318 | N | 78.5 | Confident | 83.1 | Confident | 55 Ų | 55 | 100.9 Ų | 100.9 | 29% | 0.294 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -77.4 | -40.8 | 178.9 | -169 | 26.5 | 0 | 0 | 0 | 112.4 | Q312 E314 E315 K325 | Q312-N318 HydrophobicContact CB-CB 4.36Å; E314-N318 PolarHBondContact O-N 3.27Å; E315-N318 PolarHBondContact O-N 3.03Å; N318-K325 WeakPolarHBondContact O-CE 3.41Å; N318-K325 WeakPolarHBondContact OD1-CE 3.38Å; N318-K325 PolarHBondContact OD1-NZ 2.64Å |
| 319 | E | 80.6 | Confident | 82.5 | Confident | 65 Ų | 65 | 104.7 Ų | 104.7 | 30% | 0.304 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -142.5 | 75.3 | 177.9 | -169.1 | 166.5 | -151.3 | 0 | 0 | 111 | E315 K325 R330 | E315-E319 PolarHBondContact O-N 3.04Å; E319-K325 HydrophobicContact CG-CG 4.43Å; E319-K325 PolarHBondContact OE1-N 3.29Å; E319-R330 VanDerWaalsContact CD-NH2 3.26Å; E319-R330 IonicContact OE1-CZ 2.72Å; E319-R330 VanDerWaalsContact OE1-CZ 3.28Å; E319-R330 IonicContact OE1-NE 2.78Å; E319-R330 PolarHBondContact OE1-NE 2.81Å; E319-R330 VanDerWaalsContact OE1-NE 3.11Å; E319-R330 IonicContact OE1-NH2 3.02Å; E319-R330 PolarHBondContact OE1-NH2 2.74Å; E319-R330 IonicContact OE2-CZ 3.33Å; E319-R330 IonicContact OE2-NE 3.27Å; E319-R330 IonicContact OE2-NH2 2.76Å; E319-R330 PolarHBondContact OE2-NH2 3.22Å |
| 320 | P | 80.8 | Confident | 81.9 | Confident | 21 Ų | 21 | 108 Ų | 108 | 14% | 0.136 | 51% | 0.513 | C | S | . | . | trans | -67.9 | 153.6 | -179.3 | 28.1 | -34 | 0 | 0 | 0 | 111.5 | Y322 N323 | P320-Y322 HydrophobicContact CB-CD1 4.06Å; P320-Y322 HydrophobicContact CB-CE1 3.58Å; P320-Y322 HydrophobicContact CB-CE2 4.41Å; P320-Y322 HydrophobicContact CG-CE1 4.14Å; P320-Y322 HydrophobicContact CG-CE2 4.09Å; P320-Y322 PolarHBondContact O-N 3.05Å; P320-N323 HydrophobicContact CG-CB 4.3Å; P320-N323 CarbonylContact O-C 3.5Å; P320-N323 PolarHBondContact O-N 2.74Å | ||
| 321 | F | 84.1 | Confident | 81.4 | Confident | 182 Ų | 182 | 112 Ų | 112 | 80% | 0.798 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -25.5 | -172.3 | 78.4 | -92 | 0 | 0 | 0 | 115 | ||
| 322 | Y | 82.7 | Confident | 81.3 | Confident | 156 Ų | 156 | 108.9 Ų | 108.9 | 61% | 0.612 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -7.6 | -176.5 | 59.3 | -96.2 | 0 | 0 | 0 | 114 | P320 | P320-Y322 HydrophobicContact CB-CD1 4.06Å; P320-Y322 HydrophobicContact CB-CE1 3.58Å; P320-Y322 HydrophobicContact CB-CE2 4.41Å; P320-Y322 HydrophobicContact CG-CE1 4.14Å; P320-Y322 HydrophobicContact CG-CE2 4.09Å; P320-Y322 PolarHBondContact O-N 3.05Å |
| 323 | N | 83.3 | Confident | 81.3 | Confident | 113 Ų | 113 | 109 Ų | 109 | 60% | 0.604 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -144.3 | 73.7 | -179.7 | -168.4 | 34.7 | 0 | 0 | 0 | 110.8 | P320 | P320-N323 HydrophobicContact CG-CB 4.3Å; P320-N323 CarbonylContact O-C 3.5Å; P320-N323 PolarHBondContact O-N 2.74Å |
| 324 | Q | 83.1 | Confident | 81.2 | Confident | 138 Ų | 138 | 109 Ų | 109 | 65% | 0.645 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 141.8 | 179.2 | -65.6 | -178.2 | -2.4 | 0 | 0 | 111 | ||
| 325 | K | 84.1 | Confident | 81.4 | Confident | 56 Ų | 56 | 109.6 Ų | 109.6 | 24% | 0.243 | 53% | 0.532 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 145.9 | 176.9 | -68.9 | -175.5 | -179.9 | 178.9 | 0 | 110.5 | N318 E319 E329 R330 | N318-K325 WeakPolarHBondContact O-CE 3.41Å; N318-K325 WeakPolarHBondContact OD1-CE 3.38Å; N318-K325 PolarHBondContact OD1-NZ 2.64Å; E319-K325 HydrophobicContact CG-CG 4.43Å; E319-K325 PolarHBondContact OE1-N 3.29Å; K325-E329 HydrophobicContact CB-CB 4.29Å; K325-R330 HydrophobicContact CB-CG 4.03Å |
| 326 | T | 84.1 | Confident | 81.9 | Confident | 77 Ų | 77 | 106.7 Ų | 106.7 | 47% | 0.472 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 155.4 | 173.6 | 58.9 | 0 | 0 | 0 | 0 | 111.1 | Q328 E329 R330 | T326-Q328 PolarHBondContact O-N 3.4Å; T326-E329 PolarHBondContact N-OE2 3.49Å; T326-E329 PolarHBondContact O-N 3.24Å; T326-E329 VanDerWaalsContact O-N 3.08Å; T326-E329 WeakPolarHBondContact OG1-CG 3.48Å; T326-E329 PolarHBondContact OG1-N 2.87Å; T326-E329 PolarHBondContact OG1-OE2 3.48Å; T326-R330 PolarHBondContact O-N 2.79Å |
| 327 | E | 80 | Confident | 82.4 | Confident | 156 Ų | 156 | 101.8 Ų | 101.8 | 73% | 0.729 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.7 | -34.1 | 177.6 | -69.2 | -165.4 | 159.2 | 0 | 0 | 112.4 | R330 N331 | E327-R330 PolarHBondContact O-N 3.48Å; E327-N331 WeakPolarHBondContact O-CB 2.99Å; E327-N331 VanDerWaalsContact O-CG 3.24Å; E327-N331 PolarHBondContact O-N 3.35Å; E327-N331 PolarHBondContact O-ND2 3.08Å; E327-N331 VanDerWaalsContact O-ND2 3.11Å |
| 328 | Q | 78.8 | Confident | 83 | Confident | 150 Ų | 150 | 101 Ų | 101 | 70% | 0.701 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66 | -39 | 176.6 | -174 | 173 | -16.5 | 0 | 0 | 112 | T326 S332 | T326-Q328 PolarHBondContact O-N 3.4Å; Q328-S332 PolarHBondContact O-N 3.32Å; Q328-S332 PolarHBondContact O-OG 3.01Å |
| 329 | E | 78.6 | Confident | 83.6 | Confident | 93 Ų | 93 | 102.2 Ų | 102.2 | 44% | 0.435 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.9 | -42.4 | 174.1 | -72.8 | 165.3 | 149.9 | 0 | 0 | 111.3 | K325 T326 N331 S332 Q337 | K325-E329 HydrophobicContact CB-CB 4.29Å; T326-E329 PolarHBondContact N-OE2 3.49Å; T326-E329 PolarHBondContact O-N 3.24Å; T326-E329 VanDerWaalsContact O-N 3.08Å; T326-E329 WeakPolarHBondContact OG1-CG 3.48Å; T326-E329 PolarHBondContact OG1-N 2.87Å; T326-E329 PolarHBondContact OG1-OE2 3.48Å; E329-N331 VanDerWaalsContact C-N 3.27Å; E329-N331 PolarHBondContact O-N 3.48Å; E329-S332 PolarHBondContact O-N 2.99Å; E329-Q337 PolarHBondContact O-NE2 3.31Å |
| 330 | R | 79.7 | Confident | 84.1 | Confident | 140 Ų | 140 | 101.1 Ų | 101.1 | 53% | 0.528 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.7 | -34.4 | 177.8 | -71.1 | -178.6 | 177.7 | 173.4 | 0 | 113 | E319 K325 T326 E327 | E319-R330 VanDerWaalsContact CD-NH2 3.26Å; E319-R330 IonicContact OE1-CZ 2.72Å; E319-R330 VanDerWaalsContact OE1-CZ 3.28Å; E319-R330 IonicContact OE1-NE 2.78Å; E319-R330 PolarHBondContact OE1-NE 2.81Å; E319-R330 VanDerWaalsContact OE1-NE 3.11Å; E319-R330 IonicContact OE1-NH2 3.02Å; E319-R330 PolarHBondContact OE1-NH2 2.74Å; E319-R330 IonicContact OE2-CZ 3.33Å; E319-R330 IonicContact OE2-NE 3.27Å; E319-R330 IonicContact OE2-NH2 2.76Å; E319-R330 PolarHBondContact OE2-NH2 3.22Å; K325-R330 HydrophobicContact CB-CG 4.03Å; T326-R330 PolarHBondContact O-N 2.79Å; E327-R330 PolarHBondContact O-N 3.48Å |
| 331 | N | 80.5 | Confident | 84.6 | Confident | 138 Ų | 138 | 101.3 Ų | 101.3 | 74% | 0.738 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -6.7 | -178.3 | -67.5 | -28.5 | 0 | 0 | 0 | 114.1 | E327 E329 | E327-N331 WeakPolarHBondContact O-CB 2.99Å; E327-N331 VanDerWaalsContact O-CG 3.24Å; E327-N331 PolarHBondContact O-N 3.35Å; E327-N331 PolarHBondContact O-ND2 3.08Å; E327-N331 VanDerWaalsContact O-ND2 3.11Å; E329-N331 VanDerWaalsContact C-N 3.27Å; E329-N331 PolarHBondContact O-N 3.48Å |
| 332 | S | 83.6 | Confident | 85.1 | Confident | 50 Ų | 50 | 94.8 Ų | 94.8 | 35% | 0.35 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -76 | 144.9 | 179.4 | -71.9 | 0 | 0 | 0 | 0 | 111.6 | Q328 E329 | Q328-S332 PolarHBondContact O-N 3.32Å; Q328-S332 PolarHBondContact O-OG 3.01Å; E329-S332 PolarHBondContact O-N 2.99Å |
| 333 | S | 87.1 | Confident | 85.6 | Confident | 51 Ų | 51 | 89 Ų | 89 | 36% | 0.357 | 45% | 0.454 | S | S | . | . | trans | -68.4 | 142 | 179.8 | 79.3 | 0 | 0 | 0 | 0 | 111 | I335 L336 Q337 | S333-I335 PolarHBondContact O-N 3.4Å; S333-L336 PolarHBondContact O-N 3.17Å; S333-L336 VanDerWaalsContact O-N 3.08Å; S333-L336 VanDerWaalsContact OG-CB 3.32Å; S333-L336 WeakPolarHBondContact OG-CB 3.44Å; S333-L336 VanDerWaalsContact OG-CD1 3.27Å; S333-L336 WeakPolarHBondContact OG-CD1 3.5Å; S333-L336 WeakPolarHBondContact OG-CG 3.32Å; S333-L336 PolarHBondContact OG-N 3.24Å; S333-Q337 PolarHBondContact O-N 3.29Å | ||
| 334 | P | 84.1 | Confident | 86 | Confident | 98 Ų | 98 | 83.9 Ų | 83.9 | 64% | 0.636 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -63.1 | -30.1 | -175.7 | 23.6 | -33.8 | 0 | 0 | 0 | 112.3 | F338 | P334-F338 WeakPolarHBondContact O-CB 3.44Å; P334-F338 PolarHBondContact O-N 3.31Å |
| 335 | I | 87.3 | Confident | 86.5 | Confident | 124 Ų | 124 | 77.3 Ų | 77.3 | 64% | 0.636 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -70.3 | -41.2 | 176.7 | -60.9 | 170 | 0 | 0 | 0 | 110.8 | S333 F338 I339 | S333-I335 PolarHBondContact O-N 3.4Å; I335-F338 PolarHBondContact O-N 2.9Å; I335-I339 HydrophobicContact CG2-CD1 4.06Å; I335-I339 WeakPolarHBondContact O-CG1 3.48Å; I335-I339 PolarHBondContact O-N 2.73Å |
| 336 | L | 85.9 | Confident | 87 | Confident | 115 Ų | 115 | 75.5 Ų | 75.5 | 60% | 0.602 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -67 | -39 | 177.2 | -75.1 | 171.1 | 0 | 0 | 0 | 111.3 | S333 I339 S340 | S333-L336 PolarHBondContact O-N 3.17Å; S333-L336 VanDerWaalsContact O-N 3.08Å; S333-L336 VanDerWaalsContact OG-CB 3.32Å; S333-L336 WeakPolarHBondContact OG-CB 3.44Å; S333-L336 VanDerWaalsContact OG-CD1 3.27Å; S333-L336 WeakPolarHBondContact OG-CD1 3.5Å; S333-L336 WeakPolarHBondContact OG-CG 3.32Å; S333-L336 PolarHBondContact OG-N 3.24Å; L336-I339 PolarHBondContact O-N 3.14Å; L336-S340 VanDerWaalsContact O-CB 3.29Å; L336-S340 WeakPolarHBondContact O-CB 3.33Å; L336-S340 PolarHBondContact O-N 3.3Å |
| 337 | Q | 86.6 | Confident | 87.4 | Confident | 50 Ų | 50 | 71.9 Ų | 71.9 | 23% | 0.234 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 173.8 | -71.8 | -179.4 | -21.1 | 0 | 0 | 112 | E329 S333 I339 S340 D341 | E329-Q337 PolarHBondContact O-NE2 3.31Å; S333-Q337 PolarHBondContact O-N 3.29Å; Q337-I339 VanDerWaalsContact C-N 3.32Å; Q337-I339 PolarHBondContact O-N 3.31Å; Q337-S340 PolarHBondContact O-N 3.49Å; Q337-D341 WeakPolarHBondContact O-CB 3.49Å; Q337-D341 PolarHBondContact O-N 2.93Å |
| 338 | F | 90.6 | Very high | 88 | Confident | 94 Ų | 94 | 64.6 Ų | 64.6 | 41% | 0.412 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.9 | -45.7 | 176.9 | 178.4 | -86 | 0 | 0 | 0 | 111.9 | T305 Y309 P334 I335 F342 | T305-F338 HydrophobicContact CG2-CD2 3.98Å; T305-F338 HydrophobicContact CG2-CE2 3.61Å; T305-F338 HydrophobicContact CG2-CZ 4Å; Y309-F338 AromaticContact CD2-CD2 3.78Å; Y309-F338 HydrophobicContact CD2-CD2 3.78Å; Y309-F338 HydrophobicContact CD2-CE2 4.17Å; Y309-F338 HydrophobicContact CE2-CB 4.17Å; Y309-F338 AromaticContact CE2-CD2 3.41Å; Y309-F338 HydrophobicContact CE2-CD2 3.41Å; Y309-F338 VanDerWaalsContact CE2-CD2 3.41Å; Y309-F338 HydrophobicContact CE2-CE2 4.18Å; Y309-F338 HydrophobicContact CE2-CG 4.18Å; Y309-F338 WeakPolarHBondContact OH-CA 3.33Å; Y309-F338 PolarHBondContact OH-N 3.38Å; Y309-F338 VanDerWaalsContact OH-N 3.09Å; P334-F338 WeakPolarHBondContact O-CB 3.44Å; P334-F338 PolarHBondContact O-N 3.31Å; I335-F338 PolarHBondContact O-N 2.9Å; F338-F342 WeakPolarHBondContact O-CB 3.47Å; F338-F342 PolarHBondContact O-N 3.49Å |
| 339 | I | 90.9 | Very high | 88.7 | Confident | 80 Ų | 80 | 57.5 Ų | 57.5 | 41% | 0.41 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.3 | -43.1 | 177.8 | -66.7 | 168.6 | 0 | 0 | 0 | 110.7 | I335 L336 Q337 F342 L343 | I335-I339 HydrophobicContact CG2-CD1 4.06Å; I335-I339 WeakPolarHBondContact O-CG1 3.48Å; I335-I339 PolarHBondContact O-N 2.73Å; L336-I339 PolarHBondContact O-N 3.14Å; Q337-I339 VanDerWaalsContact C-N 3.32Å; Q337-I339 PolarHBondContact O-N 3.31Å; I339-F342 PolarHBondContact O-N 3.39Å; I339-L343 HydrophobicContact CG2-CD1 3.84Å; I339-L343 HydrophobicContact CG2-CG 4.39Å; I339-L343 WeakPolarHBondContact O-CB 3.34Å; I339-L343 VanDerWaalsContact O-CG 3.26Å; I339-L343 WeakPolarHBondContact O-CG 3.31Å; I339-L343 PolarHBondContact O-N 3.07Å |
| 340 | S | 90.3 | Very high | 89.2 | Confident | 41 Ų | 41 | 53.1 Ų | 53.1 | 29% | 0.287 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 177.9 | -169.8 | 0 | 0 | 0 | 0 | 111.6 | I81 L336 Q337 L343 A344 | I81-S340 VanDerWaalsContact CG2-OG 3.28Å; I81-S340 WeakPolarHBondContact CG2-OG 3.32Å; L336-S340 VanDerWaalsContact O-CB 3.29Å; L336-S340 WeakPolarHBondContact O-CB 3.33Å; L336-S340 PolarHBondContact O-N 3.3Å; Q337-S340 PolarHBondContact O-N 3.49Å; S340-L343 PolarHBondContact O-N 3.16Å; S340-A344 WeakPolarHBondContact O-CB 3.43Å; S340-A344 PolarHBondContact O-N 3.33Å |
| 341 | D | 91.1 | Very high | 89.7 | Confident | 25 Ų | 25 | 46.8 Ų | 46.8 | 13% | 0.134 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 178.9 | -80.5 | -28.3 | 0 | 0 | 0 | 112.4 | K308 Y309 Q337 A344 F345 Q879 | K308-D341 HydrophobicContact CD-CB 4.46Å; K308-D341 WeakPolarHBondContact CE-OD2 3.32Å; K308-D341 IonicContact NZ-OD1 2.9Å; K308-D341 PolarHBondContact NZ-OD1 3.38Å; K308-D341 IonicContact NZ-OD2 3.4Å; K308-D341 PolarHBondContact NZ-OD2 2.73Å; Y309-D341 PolarHBondContact OH-OD2 3.37Å; Q337-D341 WeakPolarHBondContact O-CB 3.49Å; Q337-D341 PolarHBondContact O-N 2.93Å; D341-A344 PolarHBondContact O-N 3.03Å; D341-F345 WeakPolarHBondContact O-CD2 3.17Å; D341-F345 PolarHBondContact O-N 3.1Å; D341-Q879 PolarHBondContact OD1-NE2 3.07Å |
| 342 | F | 93.9 | Very high | 90.2 | Very high | 45 Ų | 45 | 40.2 Ų | 40.2 | 20% | 0.197 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.6 | -46.2 | 173.4 | 170.6 | -102.5 | 0 | 0 | 0 | 111.7 | L298 A301 V302 T305 F338 I339 A344 F345 L346 | L298-F342 HydrophobicContact CD2-CZ 4.1Å; A301-F342 HydrophobicContact CB-CD2 4.19Å; A301-F342 HydrophobicContact CB-CE2 3.82Å; V302-F342 HydrophobicContact CG2-CD2 4.33Å; V302-F342 HydrophobicContact CG2-CE2 3.69Å; T305-F342 HydrophobicContact CG2-CB 4.33Å; T305-F342 WeakPolarHBondContact OG1-CA 3.39Å; F338-F342 WeakPolarHBondContact O-CB 3.47Å; F338-F342 PolarHBondContact O-N 3.49Å; I339-F342 PolarHBondContact O-N 3.39Å; F342-A344 VanDerWaalsContact C-N 3.34Å; F342-F345 PolarHBondContact O-N 2.9Å; F342-L346 WeakPolarHBondContact O-CB 3.45Å; F342-L346 PolarHBondContact O-N 2.9Å |
| 343 | L | 93.4 | Very high | 90.5 | Very high | 36 Ų | 36 | 38.1 Ų | 38.1 | 19% | 0.188 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.4 | -33.7 | 177.7 | -70.1 | 174.6 | 0 | 0 | 0 | 112.1 | V77 I81 I339 S340 L346 V347 | V77-L343 HydrophobicContact CG1-CB 4.06Å; V77-L343 HydrophobicContact CG1-CD2 4.36Å; I81-L343 HydrophobicContact CD1-CB 3.91Å; I81-L343 HydrophobicContact CD1-CD1 3.28Å; I81-L343 HydrophobicContact CD1-CG 4.23Å; I339-L343 HydrophobicContact CG2-CD1 3.84Å; I339-L343 HydrophobicContact CG2-CG 4.39Å; I339-L343 WeakPolarHBondContact O-CB 3.34Å; I339-L343 VanDerWaalsContact O-CG 3.26Å; I339-L343 WeakPolarHBondContact O-CG 3.31Å; I339-L343 PolarHBondContact O-N 3.07Å; S340-L343 PolarHBondContact O-N 3.16Å; L343-L346 HydrophobicContact CD2-CD2 4.09Å; L343-L346 WeakPolarHBondContact O-CB 3.44Å; L343-L346 PolarHBondContact O-N 2.87Å; L343-V347 WeakPolarHBondContact O-CG2 3.4Å; L343-V347 PolarHBondContact O-N 3.37Å |
| 344 | A | 92.4 | Very high | 90.3 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 4% | 0.041 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.6 | -43.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S340 D341 F342 V347 L348 Q879 | S340-A344 WeakPolarHBondContact O-CB 3.43Å; S340-A344 PolarHBondContact O-N 3.33Å; D341-A344 PolarHBondContact O-N 3.03Å; F342-A344 VanDerWaalsContact C-N 3.34Å; A344-V347 PolarHBondContact O-N 2.94Å; A344-L348 WeakPolarHBondContact O-CB 3.34Å; A344-L348 PolarHBondContact O-N 3.09Å; A344-Q879 HydrophobicContact CB-CG 4.49Å |
| 345 | F | 94.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.5 | -39.1 | 172.3 | -75.3 | -60.2 | 0 | 0 | 0 | 112.6 | A301 K308 D341 F342 V347 L348 Y349 Q872 F877 Q879 | A301-F345 HydrophobicContact CB-CB 4.07Å; K308-F345 HydrophobicContact CB-CE2 4.41Å; K308-F345 HydrophobicContact CD-CE2 4.11Å; K308-F345 HydrophobicContact CD-CZ 4.36Å; D341-F345 WeakPolarHBondContact O-CD2 3.17Å; D341-F345 PolarHBondContact O-N 3.1Å; F342-F345 PolarHBondContact O-N 2.9Å; F345-V347 VanDerWaalsContact C-N 3.28Å; F345-V347 PolarHBondContact O-N 2.9Å; F345-L348 HydrophobicContact CD1-CD2 4.33Å; F345-L348 PolarHBondContact O-N 3.13Å; F345-Y349 HydrophobicContact CB-CE2 4.31Å; F345-Y349 HydrophobicContact CD1-CE2 4.19Å; F345-Y349 WeakPolarHBondContact O-CD2 3.42Å; F345-Y349 PolarHBondContact O-N 3.05Å; F345-Q872 HydrophobicContact CE1-CG 4.41Å; F345-F877 HydrophobicContact CZ-CB 3.9Å; F345-F877 HydrophobicContact CZ-CD1 4.37Å; F345-F877 WeakPolarHBondContact CZ-O 3.25Å; F345-Q879 HydrophobicContact CD1-CG 3.9Å; F345-Q879 HydrophobicContact CD2-CG 4.41Å; F345-Q879 HydrophobicContact CE1-CB 4.36Å; F345-Q879 HydrophobicContact CE1-CG 3.44Å; F345-Q879 VanDerWaalsContact CE1-CG 3.44Å; F345-Q879 HydrophobicContact CE2-CG 4.01Å; F345-Q879 HydrophobicContact CG-CG 4.35Å; F345-Q879 HydrophobicContact CZ-CG 3.49Å; F345-Q879 VanDerWaalsContact CZ-CG 3.49Å |
| 346 | L | 93.5 | Very high | 90.2 | Very high | 18 Ų | 18 | 26.4 Ų | 26.4 | 9% | 0.094 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.9 | -42.2 | 175.3 | -175.4 | 71.9 | 0 | 0 | 0 | 111.4 | I74 L297 L298 F342 L343 N350 | I74-L346 HydrophobicContact CD1-CD2 3.94Å; I74-L346 HydrophobicContact CD1-CG 3.99Å; L297-L346 HydrophobicContact CD1-CD1 4.34Å; L297-L346 HydrophobicContact CD2-CD1 3.81Å; L297-L346 HydrophobicContact CG-CD1 3.84Å; L298-L346 HydrophobicContact CD2-CD1 4.01Å; F342-L346 WeakPolarHBondContact O-CB 3.45Å; F342-L346 PolarHBondContact O-N 2.9Å; L343-L346 HydrophobicContact CD2-CD2 4.09Å; L343-L346 WeakPolarHBondContact O-CB 3.44Å; L343-L346 PolarHBondContact O-N 2.87Å; L346-N350 PolarHBondContact O-N 3.32Å |
| 347 | V | 92.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -68.6 | -43.1 | 175.8 | 167.9 | 0 | 0 | 0 | 0 | 111.2 | V77 Q78 T83 T85 L343 A344 F345 Y349 N350 | V77-V347 HydrophobicContact CG1-CG2 3.9Å; Q78-V347 HydrophobicContact CG-CB 4.45Å; Q78-V347 HydrophobicContact CG-CG1 3.59Å; Q78-V347 HydrophobicContact CG-CG2 3.94Å; T83-V347 HydrophobicContact CG2-CB 4.27Å; T83-V347 HydrophobicContact CG2-CG1 4.27Å; T83-V347 HydrophobicContact CG2-CG2 4.05Å; T85-V347 WeakPolarHBondContact OG1-CG1 3.06Å; L343-V347 WeakPolarHBondContact O-CG2 3.4Å; L343-V347 PolarHBondContact O-N 3.37Å; A344-V347 PolarHBondContact O-N 2.94Å; F345-V347 VanDerWaalsContact C-N 3.28Å; F345-V347 PolarHBondContact O-N 2.9Å; V347-Y349 VanDerWaalsContact C-N 3.27Å; V347-Y349 PolarHBondContact O-N 3.27Å; V347-N350 WeakPolarHBondContact O-CB 3.49Å; V347-N350 PolarHBondContact O-N 3.48Å; V347-N350 PolarHBondContact O-ND2 2.79Å; V347-N350 PolarHBondContact O-OD1 3.38Å |
| 348 | L | 91.9 | Very high | 90 | Very high | 4 Ų | 4 | 19.3 Ų | 19.3 | 2% | 0.021 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.9 | -38.8 | 179.9 | -168.4 | 62.5 | 0 | 0 | 0 | 112.4 | P84 A344 F345 I865 Q868 Q872 Q879 T881 | P84-L348 HydrophobicContact CG-CB 4.48Å; P84-L348 HydrophobicContact CG-CD1 4.01Å; A344-L348 WeakPolarHBondContact O-CB 3.34Å; A344-L348 PolarHBondContact O-N 3.09Å; F345-L348 HydrophobicContact CD1-CD2 4.33Å; F345-L348 PolarHBondContact O-N 3.13Å; L348-I865 WeakPolarHBondContact O-CD1 3.41Å; L348-Q868 VanDerWaalsContact CD1-NE2 3.31Å; L348-Q868 HydrophobicContact CG-CG 4.25Å; L348-Q872 HydrophobicContact CD2-CG 4.35Å; L348-Q879 HydrophobicContact CD2-CB 4.48Å; L348-T881 HydrophobicContact CD1-CG2 3.66Å |
| 349 | Y | 93.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 2.8 | -178.4 | -54.9 | -32.4 | 0 | 0 | 0 | 114.1 | L297 E300 S304 F345 V347 F351 I352 I865 Q868 F869 Q872 | L297-Y349 WeakPolarHBondContact CD1-O 3.44Å; E300-Y349 HydrophobicContact CB-CD2 3.97Å; E300-Y349 HydrophobicContact CB-CE2 4.13Å; S304-Y349 WeakPolarHBondContact OG-CE2 3.44Å; S304-Y349 PolarHBondContact OG-OH 3.29Å; F345-Y349 HydrophobicContact CB-CE2 4.31Å; F345-Y349 HydrophobicContact CD1-CE2 4.19Å; F345-Y349 WeakPolarHBondContact O-CD2 3.42Å; F345-Y349 PolarHBondContact O-N 3.05Å; V347-Y349 VanDerWaalsContact C-N 3.27Å; V347-Y349 PolarHBondContact O-N 3.27Å; Y349-F351 PolarHBondContact O-N 3.04Å; Y349-I352 WeakPolarHBondContact O-CB 3.33Å; Y349-I352 VanDerWaalsContact O-CG2 3.28Å; Y349-I352 WeakPolarHBondContact O-CG2 3.31Å; Y349-I352 PolarHBondContact O-N 3.19Å; Y349-I865 HydrophobicContact CD1-CD1 4.25Å; Y349-I865 HydrophobicContact CD1-CG1 4.27Å; Y349-Q868 HydrophobicContact CD1-CG 4.44Å; Y349-Q868 HydrophobicContact CE1-CG 4.41Å; Y349-F869 HydrophobicContact CE1-CB 4.06Å; Y349-F869 HydrophobicContact CE1-CD2 4.39Å; Y349-F869 HydrophobicContact CE2-CD2 4.01Å; Y349-F869 AromaticContact CZ-CD2 3.73Å; Y349-F869 WeakPolarHBondContact OH-CD2 3.37Å; Y349-Q872 HydrophobicContact CE1-CG 4.28Å; Y349-Q872 WeakPolarHBondContact OH-CG 3.31Å |
| 350 | N | 90.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 12.1 Ų | 12.1 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | G | 310 helix | trans | -56.9 | -27.2 | -174.2 | 74.7 | 4.3 | 0 | 0 | 0 | 113.7 | I74 S90 L346 V347 I352 I353 | I74-N350 HydrophobicContact CG2-CB 4.05Å; I74-N350 WeakPolarHBondContact CG2-ND2 3.46Å; S90-N350 PolarHBondContact OG-ND2 2.72Å; S90-N350 VanDerWaalsContact OG-ND2 3.14Å; L346-N350 PolarHBondContact O-N 3.32Å; V347-N350 WeakPolarHBondContact O-CB 3.49Å; V347-N350 PolarHBondContact O-N 3.48Å; V347-N350 PolarHBondContact O-ND2 2.79Å; V347-N350 PolarHBondContact O-OD1 3.38Å; N350-I352 PolarHBondContact O-N 2.83Å; N350-I352 VanDerWaalsContact O-N 3.15Å; N350-I353 PolarHBondContact O-N 2.82Å; N350-I353 VanDerWaalsContact O-N 3.14Å |
| 351 | F | 89.3 | Confident | 89.6 | Confident | 7 Ų | 7 | 10.7 Ų | 10.7 | 3% | 0.031 | 6% | 0.056 | C | C | . | . | G | 310 helix | trans | -70.7 | -7.5 | -177.4 | -61.3 | -76.3 | 0 | 0 | 0 | 113 | Y349 I353 N861 F864 I865 L888 | Y349-F351 PolarHBondContact O-N 3.04Å; F351-I353 PolarHBondContact O-N 2.79Å; F351-N861 PolarHBondContact O-OD1 3.36Å; F351-N861 VanDerWaalsContact O-OD1 3.06Å; F351-F864 HydrophobicContact CB-CD1 4.11Å; F351-F864 HydrophobicContact CB-CE1 3.75Å; F351-F864 HydrophobicContact CD1-CE1 4.5Å; F351-F864 HydrophobicContact CG-CE1 4.07Å; F351-I865 HydrophobicContact CB-CD1 4.34Å; F351-L888 HydrophobicContact CD2-CD2 4.36Å; F351-L888 HydrophobicContact CE2-CB 4.2Å; F351-L888 HydrophobicContact CE2-CD1 4.09Å; F351-L888 HydrophobicContact CE2-CD2 4.29Å; F351-L888 HydrophobicContact CE2-CG 4.43Å; F351-L888 HydrophobicContact CZ-CB 4.02Å |
| 352 | I | 91.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.054 | C | C | . | . | G | 310 helix | trans | -59.6 | -33.1 | 168.1 | -162.6 | 167.6 | 0 | 0 | 0 | 111.6 | Y293 I296 L297 Y349 N350 P354 I865 | Y293-I352 HydrophobicContact CD1-CD1 3.91Å; Y293-I352 HydrophobicContact CD1-CG1 3.8Å; Y293-I352 HydrophobicContact CE1-CD1 4.39Å; Y293-I352 HydrophobicContact CE1-CG1 4.27Å; I296-I352 HydrophobicContact CG2-CD1 3.87Å; L297-I352 HydrophobicContact CB-CG2 3.9Å; L297-I352 HydrophobicContact CD1-CG2 3.98Å; L297-I352 HydrophobicContact CD2-CG2 4.31Å; L297-I352 HydrophobicContact CG-CG2 4.28Å; Y349-I352 WeakPolarHBondContact O-CB 3.33Å; Y349-I352 VanDerWaalsContact O-CG2 3.28Å; Y349-I352 WeakPolarHBondContact O-CG2 3.31Å; Y349-I352 PolarHBondContact O-N 3.19Å; N350-I352 PolarHBondContact O-N 2.83Å; N350-I352 VanDerWaalsContact O-N 3.15Å; I352-P354 WeakPolarHBondContact O-CD 3.2Å; I352-I865 HydrophobicContact CB-CB 4.46Å; I352-I865 HydrophobicContact CB-CG2 3.77Å; I352-I865 HydrophobicContact CD1-CG2 4.05Å; I352-I865 HydrophobicContact CG1-CG2 3.77Å |
| 353 | I | 89.2 | Confident | 89 | Confident | 7 Ų | 7 | 11.3 Ų | 11.3 | 4% | 0.036 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -91.3 | 115.8 | 176.1 | -54 | -168.6 | 0 | 0 | 0 | 108.5 | Y70 F71 L290 L294 L297 N350 F351 I355 | Y70-I353 HydrophobicContact CD1-CD1 4.22Å; Y70-I353 HydrophobicContact CE1-CB 4.1Å; Y70-I353 HydrophobicContact CE1-CD1 3.76Å; Y70-I353 HydrophobicContact CE1-CG1 4.3Å; Y70-I353 HydrophobicContact CE1-CG2 4.39Å; Y70-I353 HydrophobicContact CE2-CD1 4.26Å; F71-I353 HydrophobicContact CE1-CB 4.36Å; F71-I353 HydrophobicContact CE1-CG2 4.37Å; F71-I353 HydrophobicContact CE2-CG2 4.43Å; F71-I353 HydrophobicContact CZ-CB 4.09Å; F71-I353 HydrophobicContact CZ-CG2 3.67Å; F71-I353 WeakPolarHBondContact CZ-O 3.26Å; L290-I353 HydrophobicContact CD2-CG2 3.59Å; L294-I353 HydrophobicContact CB-CD1 4.29Å; L294-I353 HydrophobicContact CD1-CD1 4.19Å; L297-I353 HydrophobicContact CD2-CD1 4.31Å; N350-I353 PolarHBondContact O-N 2.82Å; N350-I353 VanDerWaalsContact O-N 3.14Å; F351-I353 PolarHBondContact O-N 2.79Å; I353-I355 PolarHBondContact O-N 2.72Å; I353-I355 VanDerWaalsContact O-N 3.1Å |
| 354 | P | 83.2 | Confident | 89 | Confident | 1 Ų | 1 | 9.7 Ų | 9.7 | 1% | 0.006 | 5% | 0.051 | C | C | . | . | trans | -76.2 | 104.5 | -172.4 | 28.6 | -34.8 | 0 | 0 | 0 | 112.6 | I352 S356 L357 F857 F858 | I352-P354 WeakPolarHBondContact O-CD 3.2Å; P354-S356 VanDerWaalsContact C-N 3.29Å; P354-S356 PolarHBondContact O-N 3.15Å; P354-L357 HydrophobicContact CB-CB 3.84Å; P354-L357 HydrophobicContact CG-CB 3.68Å; P354-L357 HydrophobicContact CG-CD2 3.79Å; P354-L357 HydrophobicContact CG-CG 4.37Å; P354-L357 WeakPolarHBondContact O-CB 3.4Å; P354-L357 PolarHBondContact O-N 3.3Å; P354-F857 HydrophobicContact CB-CD1 4.14Å; P354-F858 HydrophobicContact CG-CD1 4.13Å; P354-F858 HydrophobicContact CG-CE1 3.96Å | ||
| 355 | I | 83.6 | Confident | 88.9 | Confident | 13 Ų | 13 | 10 Ų | 10 | 7% | 0.067 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -54.9 | -45.5 | 174.2 | -61.5 | 167.5 | 0 | 0 | 0 | 111.3 | F71 P93 V97 I353 L357 | F71-I355 HydrophobicContact CD1-CD1 3.8Å; F71-I355 HydrophobicContact CD1-CG1 3.38Å; F71-I355 HydrophobicContact CD2-CB 4.43Å; F71-I355 HydrophobicContact CD2-CG1 3.88Å; F71-I355 HydrophobicContact CD2-CG2 4.37Å; F71-I355 HydrophobicContact CE1-CB 4.27Å; F71-I355 HydrophobicContact CE1-CD1 3.83Å; F71-I355 HydrophobicContact CE1-CG1 3.06Å; F71-I355 HydrophobicContact CE2-CB 4.04Å; F71-I355 HydrophobicContact CE2-CG1 3.61Å; F71-I355 HydrophobicContact CE2-CG2 4.38Å; F71-I355 HydrophobicContact CG-CD1 4.36Å; F71-I355 HydrophobicContact CG-CG1 3.79Å; F71-I355 HydrophobicContact CZ-CB 3.95Å; F71-I355 HydrophobicContact CZ-CD1 4.4Å; F71-I355 HydrophobicContact CZ-CG1 3.19Å; P93-I355 HydrophobicContact CB-CB 4.46Å; P93-I355 HydrophobicContact CB-CD1 3.99Å; P93-I355 HydrophobicContact CB-CG2 3.92Å; P93-I355 HydrophobicContact CG-CD1 4.4Å; V97-I355 HydrophobicContact CG2-CG2 3.89Å; I353-I355 PolarHBondContact O-N 2.72Å; I353-I355 VanDerWaalsContact O-N 3.1Å; I355-L357 VanDerWaalsContact C-N 3.27Å; I355-L357 PolarHBondContact O-N 2.82Å |
| 356 | S | 85.3 | Confident | 88.6 | Confident | 13 Ų | 13 | 12.2 Ų | 12.2 | 9% | 0.091 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -77.5 | -5.7 | -174.6 | 56.9 | 0 | 0 | 0 | 0 | 114.6 | P354 T360 N892 | P354-S356 VanDerWaalsContact C-N 3.29Å; P354-S356 PolarHBondContact O-N 3.15Å; S356-T360 WeakPolarHBondContact O-CB 3.48Å; S356-T360 PolarHBondContact O-N 3.42Å; S356-T360 PolarHBondContact O-OG1 2.79Å; S356-N892 WeakPolarHBondContact CB-O 3.43Å; S356-N892 PolarHBondContact OG-O 3.02Å |
| 357 | L | 87.3 | Confident | 88.5 | Confident | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59 | -51.4 | 178.8 | 170.5 | 60.9 | 0 | 0 | 0 | 111.2 | M286 P354 I355 V359 T360 V361 L853 V854 F857 F858 | M286-L357 HydrophobicContact CG-CD2 3.91Å; M286-L357 HydrophobicContact SD-CD1 4.37Å; M286-L357 HydrophobicContact SD-CD2 3.6Å; M286-L357 HydrophobicContact SD-CG 3.85Å; P354-L357 HydrophobicContact CB-CB 3.84Å; P354-L357 HydrophobicContact CG-CB 3.68Å; P354-L357 HydrophobicContact CG-CD2 3.79Å; P354-L357 HydrophobicContact CG-CG 4.37Å; P354-L357 WeakPolarHBondContact O-CB 3.4Å; P354-L357 PolarHBondContact O-N 3.3Å; I355-L357 VanDerWaalsContact C-N 3.27Å; I355-L357 PolarHBondContact O-N 2.82Å; L357-V359 PolarHBondContact O-N 3.23Å; L357-T360 PolarHBondContact O-N 3.02Å; L357-V361 HydrophobicContact CD1-CG2 3.87Å; L357-V361 WeakPolarHBondContact O-CB 2.98Å; L357-V361 VanDerWaalsContact O-CG2 3.3Å; L357-V361 WeakPolarHBondContact O-CG2 3.38Å; L357-V361 PolarHBondContact O-N 2.86Å; L357-L853 HydrophobicContact CD1-CD2 3.82Å; L357-V854 HydrophobicContact CD1-CG2 4.36Å; L357-F857 HydrophobicContact CB-CD1 4.07Å; L357-F857 HydrophobicContact CB-CG 4.36Å; L357-F857 HydrophobicContact CD1-CB 3.71Å; L357-F857 HydrophobicContact CD1-CD1 4.33Å; L357-F857 HydrophobicContact CD1-CD2 4.05Å; L357-F857 HydrophobicContact CD1-CG 3.78Å; L357-F858 HydrophobicContact CD2-CE1 4.37Å; L357-F858 HydrophobicContact CD2-CE2 4.02Å; L357-F858 HydrophobicContact CD2-CZ 3.79Å |
| 358 | Y | 82.7 | Confident | 88.4 | Confident | 15 Ų | 15 | 14.1 Ų | 14.1 | 6% | 0.059 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62.8 | -43.6 | -175.2 | -79.3 | -88 | 0 | 0 | 0 | 112.6 | A67 M286 N287 L290 V361 E362 | A67-Y358 HydrophobicContact CB-CD2 3.88Å; A67-Y358 HydrophobicContact CB-CE2 3.17Å; M286-Y358 HydrophobicContact CE-CD1 3.66Å; M286-Y358 HydrophobicContact CE-CE1 3.13Å; M286-Y358 HydrophobicContact CE-CE2 4.34Å; M286-Y358 HydrophobicContact CE-CG 4.48Å; M286-Y358 HydrophobicContact SD-CE1 4.38Å; N287-Y358 PolarHBondContact OD1-OH 3.13Å; L290-Y358 HydrophobicContact CD1-CE2 3.59Å; L290-Y358 WeakPolarHBondContact CD1-OH 3.36Å; Y358-V361 PolarHBondContact O-N 3.03Å; Y358-E362 WeakPolarHBondContact O-CB 3.49Å; Y358-E362 WeakPolarHBondContact O-CG 3.46Å; Y358-E362 PolarHBondContact O-N 2.92Å |
| 359 | V | 83.9 | Confident | 88.3 | Confident | 13 Ų | 13 | 14.6 Ų | 14.6 | 8% | 0.079 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -66.9 | -40.9 | 177.5 | 162.9 | 0 | 0 | 0 | 0 | 111.9 | F96 V97 V100 L357 V361 E362 M363 | F96-V359 HydrophobicContact CE1-CG1 4.38Å; V97-V359 HydrophobicContact CB-CG2 3.64Å; V97-V359 HydrophobicContact CG1-CG2 3.49Å; V97-V359 VanDerWaalsContact CG1-CG2 3.49Å; V97-V359 HydrophobicContact CG2-CB 4.24Å; V97-V359 HydrophobicContact CG2-CG2 3.47Å; V97-V359 VanDerWaalsContact CG2-CG2 3.47Å; V100-V359 HydrophobicContact CG1-CG1 4.34Å; L357-V359 PolarHBondContact O-N 3.23Å; V359-V361 VanDerWaalsContact C-N 3.31Å; V359-V361 PolarHBondContact O-N 3.22Å; V359-E362 PolarHBondContact O-N 2.86Å; V359-M363 VanDerWaalsContact O-CB 3.26Å; V359-M363 WeakPolarHBondContact O-CB 3.41Å; V359-M363 PolarHBondContact O-N 3.42Å |
| 360 | T | 89 | Confident | 88.3 | Confident | 10 Ų | 10 | 18.2 Ų | 18.2 | 6% | 0.061 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.5 | -40.6 | 179.3 | -49.3 | 0 | 0 | 0 | 0 | 110.3 | S356 L357 Q364 L853 F857 L901 | S356-T360 WeakPolarHBondContact O-CB 3.48Å; S356-T360 PolarHBondContact O-N 3.42Å; S356-T360 PolarHBondContact O-OG1 2.79Å; L357-T360 PolarHBondContact O-N 3.02Å; T360-Q364 WeakPolarHBondContact O-CB 3.36Å; T360-Q364 PolarHBondContact O-N 3.2Å; T360-L853 HydrophobicContact CG2-CD1 4.07Å; T360-F857 HydrophobicContact CG2-CE2 3.79Å; T360-F857 HydrophobicContact CG2-CZ 3.87Å; T360-F857 WeakPolarHBondContact OG1-CZ 3.27Å; T360-L901 HydrophobicContact CG2-CB 4.1Å; T360-L901 HydrophobicContact CG2-CD1 4Å |
| 361 | V | 89.7 | Confident | 88.5 | Confident | 11 Ų | 11 | 20.6 Ų | 20.6 | 7% | 0.067 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.5 | -48.6 | 172.4 | 169.9 | 0 | 0 | 0 | 0 | 111.4 | L357 Y358 V359 M363 Q364 K365 I850 L853 V854 | L357-V361 HydrophobicContact CD1-CG2 3.87Å; L357-V361 WeakPolarHBondContact O-CB 2.98Å; L357-V361 VanDerWaalsContact O-CG2 3.3Å; L357-V361 WeakPolarHBondContact O-CG2 3.38Å; L357-V361 PolarHBondContact O-N 2.86Å; Y358-V361 PolarHBondContact O-N 3.03Å; V359-V361 VanDerWaalsContact C-N 3.31Å; V359-V361 PolarHBondContact O-N 3.22Å; V361-M363 VanDerWaalsContact C-N 3.34Å; V361-M363 PolarHBondContact O-N 2.7Å; V361-Q364 PolarHBondContact O-N 2.81Å; V361-K365 HydrophobicContact CG1-CD 4Å; V361-K365 HydrophobicContact CG1-CG 4.46Å; V361-K365 WeakPolarHBondContact O-CB 3.17Å; V361-K365 VanDerWaalsContact O-CG 3.27Å; V361-K365 WeakPolarHBondContact O-CG 3.2Å; V361-K365 PolarHBondContact O-N 3.04Å; V361-I850 HydrophobicContact CG1-CD1 3.88Å; V361-L853 HydrophobicContact CG2-CD2 3.47Å; V361-L853 VanDerWaalsContact CG2-CD2 3.47Å; V361-V854 HydrophobicContact CG2-CG2 4.39Å |
| 362 | E | 85.4 | Confident | 88.7 | Confident | 21 Ų | 21 | 20.4 Ų | 20.4 | 10% | 0.098 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.7 | -40.9 | 179.6 | -77.6 | -170.5 | 164.5 | 0 | 0 | 112.4 | R65 T101 Y358 V359 K365 F366 | R65-E362 IonicContact CZ-OE1 3.24Å; R65-E362 IonicContact NH1-OE1 2.6Å; R65-E362 PolarHBondContact NH1-OE1 3.46Å; R65-E362 IonicContact NH2-OE1 2.71Å; R65-E362 PolarHBondContact NH2-OE1 3.47Å; T101-E362 WeakPolarHBondContact CG2-OE2 3.38Å; T101-E362 PolarHBondContact OG1-OE2 3.23Å; Y358-E362 WeakPolarHBondContact O-CB 3.49Å; Y358-E362 WeakPolarHBondContact O-CG 3.46Å; Y358-E362 PolarHBondContact O-N 2.92Å; V359-E362 PolarHBondContact O-N 2.86Å; E362-K365 PolarHBondContact O-N 2.8Å; E362-F366 VanDerWaalsContact O-CB 3.3Å; E362-F366 WeakPolarHBondContact O-CB 3.12Å; E362-F366 PolarHBondContact O-N 3.35Å |
| 363 | M | 87.2 | Confident | 88.7 | Confident | 63 Ų | 63 | 21.2 Ų | 21.2 | 31% | 0.31 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -67.5 | -42.4 | 177.3 | -170 | 62.7 | 78.8 | 0 | 0 | 111.1 | V100 V359 V361 K365 F366 L367 L901 | V100-M363 HydrophobicContact CG1-CE 3.82Å; V359-M363 VanDerWaalsContact O-CB 3.26Å; V359-M363 WeakPolarHBondContact O-CB 3.41Å; V359-M363 PolarHBondContact O-N 3.42Å; V361-M363 VanDerWaalsContact C-N 3.34Å; V361-M363 PolarHBondContact O-N 2.7Å; M363-K365 VanDerWaalsContact C-N 3.34Å; M363-K365 PolarHBondContact O-N 3.24Å; M363-F366 PolarHBondContact O-N 3Å; M363-F366 HydrophobicContact SD-CD1 4.44Å; M363-L367 HydrophobicContact CG-CD1 3.8Å; M363-L367 HydrophobicContact CG-CG 4.26Å; M363-L367 WeakPolarHBondContact O-CB 3.24Å; M363-L367 WeakPolarHBondContact O-CG 3.37Å; M363-L367 PolarHBondContact O-N 3.02Å; M363-L367 HydrophobicContact SD-CD1 4.02Å; M363-L367 HydrophobicContact SD-CG 4.05Å; M363-L901 HydrophobicContact CB-CD1 4.48Å; M363-L901 HydrophobicContact CG-CD1 4.44Å; M363-L901 HydrophobicContact CG-CD2 4.42Å |
| 364 | Q | 92.7 | Very high | 89 | Confident | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.009 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.4 | -46.3 | 174.7 | -176.2 | -78.6 | -27.8 | 0 | 0 | 111.2 | T360 V361 G368 L853 L901 S904 L905 | T360-Q364 WeakPolarHBondContact O-CB 3.36Å; T360-Q364 PolarHBondContact O-N 3.2Å; V361-Q364 PolarHBondContact O-N 2.81Å; Q364-G368 WeakPolarHBondContact O-CA 3.44Å; Q364-G368 PolarHBondContact O-N 2.94Å; Q364-L853 HydrophobicContact CB-CD1 4.39Å; Q364-L853 HydrophobicContact CG-CD1 4.39Å; Q364-L901 HydrophobicContact CB-CD1 4.19Å; Q364-S904 WeakPolarHBondContact CG-OG 3.48Å; Q364-S904 PolarHBondContact NE2-O 3.24Å; Q364-L905 HydrophobicContact CG-CD2 4.27Å |
| 365 | K | 91 | Very high | 89.5 | Confident | 10 Ų | 10 | 30.4 Ų | 30.4 | 4% | 0.043 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.6 | -46.3 | 178.4 | -74.5 | 176.9 | 174.8 | -154.4 | 0 | 112.3 | V361 E362 M363 S369 D393 N395 E396 I850 | V361-K365 HydrophobicContact CG1-CD 4Å; V361-K365 HydrophobicContact CG1-CG 4.46Å; V361-K365 WeakPolarHBondContact O-CB 3.17Å; V361-K365 VanDerWaalsContact O-CG 3.27Å; V361-K365 WeakPolarHBondContact O-CG 3.2Å; V361-K365 PolarHBondContact O-N 3.04Å; E362-K365 PolarHBondContact O-N 2.8Å; M363-K365 VanDerWaalsContact C-N 3.34Å; M363-K365 PolarHBondContact O-N 3.24Å; K365-S369 PolarHBondContact O-N 2.99Å; K365-D393 PolarHBondContact NZ-O 3.09Å; K365-N395 PolarHBondContact O-ND2 3.02Å; K365-E396 VanDerWaalsContact CE-CD 3.48Å; K365-E396 WeakPolarHBondContact CE-OE1 3.31Å; K365-E396 WeakPolarHBondContact CE-OE2 3.28Å; K365-E396 IonicContact NZ-OE1 2.79Å; K365-E396 PolarHBondContact NZ-OE1 3.31Å; K365-E396 IonicContact NZ-OE2 3.55Å; K365-E396 PolarHBondContact NZ-OE2 2.94Å; K365-I850 VanDerWaalsContact CE-CD1 3.41Å; K365-I850 HydrophobicContact CG-CD1 4.48Å |
| 366 | F | 88.4 | Confident | 90 | Very high | 48 Ų | 48 | 36.3 Ų | 36.3 | 21% | 0.211 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.2 | -53.2 | 179.1 | 175.5 | -109.9 | 0 | 0 | 0 | 111.5 | K104 E362 M363 G368 S369 F370 | K104-F366 HydrophobicContact CG-CD2 4.37Å; E362-F366 VanDerWaalsContact O-CB 3.3Å; E362-F366 WeakPolarHBondContact O-CB 3.12Å; E362-F366 PolarHBondContact O-N 3.35Å; M363-F366 PolarHBondContact O-N 3Å; M363-F366 HydrophobicContact SD-CD1 4.44Å; F366-G368 VanDerWaalsContact C-N 3.35Å; F366-G368 PolarHBondContact O-N 3.36Å; F366-S369 WeakPolarHBondContact O-CB 3.31Å; F366-S369 PolarHBondContact O-N 3.47Å; F366-S369 PolarHBondContact O-OG 3.48Å; F366-F370 HydrophobicContact CD1-CE2 4.27Å; F366-F370 AromaticContact CE1-CE2 3.82Å; F366-F370 HydrophobicContact CE1-CE2 3.82Å; F366-F370 HydrophobicContact CE1-CZ 4.08Å; F366-F370 HydrophobicContact CE2-CE2 4.34Å; F366-F370 AromaticContact CE2-CZ 3.99Å; F366-F370 HydrophobicContact CE2-CZ 3.99Å; F366-F370 AromaticContact CZ-CE2 3.87Å; F366-F370 HydrophobicContact CZ-CE2 3.87Å; F366-F370 AromaticContact CZ-CZ 3.63Å; F366-F370 HydrophobicContact CZ-CZ 3.63Å |
| 367 | L | 90.7 | Very high | 90.4 | Very high | 58 Ų | 58 | 40.4 Ų | 40.4 | 30% | 0.304 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.5 | -39.1 | 179 | -66.7 | 176.4 | 0 | 0 | 0 | 111.9 | M363 S369 F370 L905 | M363-L367 HydrophobicContact CG-CD1 3.8Å; M363-L367 HydrophobicContact CG-CG 4.26Å; M363-L367 WeakPolarHBondContact O-CB 3.24Å; M363-L367 WeakPolarHBondContact O-CG 3.37Å; M363-L367 PolarHBondContact O-N 3.02Å; M363-L367 HydrophobicContact SD-CD1 4.02Å; M363-L367 HydrophobicContact SD-CG 4.05Å; L367-S369 VanDerWaalsContact C-N 3.28Å; L367-S369 PolarHBondContact O-N 3.05Å; L367-F370 HydrophobicContact CD2-CE2 4.37Å; L367-F370 WeakPolarHBondContact O-CD2 3.36Å; L367-F370 PolarHBondContact O-N 3.48Å; L367-L905 HydrophobicContact CB-CD1 4.45Å; L367-L905 HydrophobicContact CB-CD2 3.78Å; L367-L905 HydrophobicContact CD1-CD1 3.96Å |
| 368 | G | 90.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.5 | -37.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q364 F366 F370 F371 Y846 | Q364-G368 WeakPolarHBondContact O-CA 3.44Å; Q364-G368 PolarHBondContact O-N 2.94Å; F366-G368 VanDerWaalsContact C-N 3.35Å; F366-G368 PolarHBondContact O-N 3.36Å; G368-F370 PolarHBondContact O-N 3.27Å; G368-F371 WeakPolarHBondContact O-CB 3.5Å; G368-F371 PolarHBondContact O-N 3.12Å; G368-Y846 PolarHBondContact O-OH 2.99Å |
| 369 | S | 90.8 | Very high | 91.2 | Very high | 13 Ų | 13 | 43.7 Ų | 43.7 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.1 | -29.3 | -179.9 | 74.6 | 0 | 0 | 0 | 0 | 113.7 | K365 F366 L367 F371 I372 V389 N395 | K365-S369 PolarHBondContact O-N 2.99Å; F366-S369 WeakPolarHBondContact O-CB 3.31Å; F366-S369 PolarHBondContact O-N 3.47Å; F366-S369 PolarHBondContact O-OG 3.48Å; L367-S369 VanDerWaalsContact C-N 3.28Å; L367-S369 PolarHBondContact O-N 3.05Å; S369-F371 VanDerWaalsContact C-N 3.32Å; S369-F371 PolarHBondContact O-N 3.07Å; S369-I372 PolarHBondContact O-N 3.35Å; S369-V389 WeakPolarHBondContact O-CG2 3.28Å; S369-N395 PolarHBondContact N-ND2 3.01Å |
| 370 | F | 92.3 | Very high | 91.5 | Very high | 77 Ų | 77 | 43.5 Ų | 43.5 | 34% | 0.338 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67.1 | -31.8 | 176.4 | -62.1 | -58.2 | 0 | 0 | 0 | 112.9 | F366 L367 G368 I372 G373 W374 | F366-F370 HydrophobicContact CD1-CE2 4.27Å; F366-F370 AromaticContact CE1-CE2 3.82Å; F366-F370 HydrophobicContact CE1-CE2 3.82Å; F366-F370 HydrophobicContact CE1-CZ 4.08Å; F366-F370 HydrophobicContact CE2-CE2 4.34Å; F366-F370 AromaticContact CE2-CZ 3.99Å; F366-F370 HydrophobicContact CE2-CZ 3.99Å; F366-F370 AromaticContact CZ-CE2 3.87Å; F366-F370 HydrophobicContact CZ-CE2 3.87Å; F366-F370 AromaticContact CZ-CZ 3.63Å; F366-F370 HydrophobicContact CZ-CZ 3.63Å; L367-F370 HydrophobicContact CD2-CE2 4.37Å; L367-F370 WeakPolarHBondContact O-CD2 3.36Å; L367-F370 PolarHBondContact O-N 3.48Å; G368-F370 PolarHBondContact O-N 3.27Å; F370-I372 VanDerWaalsContact C-N 3.27Å; F370-I372 PolarHBondContact O-N 3.34Å; F370-G373 CarbonylContact O-C 3.59Å; F370-G373 PolarHBondContact O-N 3.42Å; F370-G373 VanDerWaalsContact O-N 3.09Å; F370-W374 HydrophobicContact CB-CD2 4.21Å; F370-W374 HydrophobicContact CB-CE3 4.31Å; F370-W374 HydrophobicContact CB-CH2 4Å; F370-W374 HydrophobicContact CB-CZ2 3.9Å; F370-W374 HydrophobicContact CB-CZ3 4.21Å; F370-W374 HydrophobicContact CG-CZ2 4.36Å; F370-W374 WeakPolarHBondContact O-CB 2.83Å; F370-W374 VanDerWaalsContact O-CG 3.25Å; F370-W374 PolarHBondContact O-N 2.93Å |
| 371 | F | 94.6 | Very high | 91.6 | Very high | 51 Ų | 51 | 50.9 Ų | 50.9 | 22% | 0.224 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.5 | -30.8 | -179.9 | -60.8 | -26.6 | 0 | 0 | 0 | 112.7 | G368 S369 W374 D375 L905 F906 | G368-F371 WeakPolarHBondContact O-CB 3.5Å; G368-F371 PolarHBondContact O-N 3.12Å; S369-F371 VanDerWaalsContact C-N 3.32Å; S369-F371 PolarHBondContact O-N 3.07Å; F371-W374 AromaticContact CD1-CE3 3.86Å; F371-W374 HydrophobicContact CD1-CE3 3.86Å; F371-W374 HydrophobicContact CD1-CZ3 4Å; F371-W374 HydrophobicContact CE1-CE3 4.27Å; F371-W374 AromaticContact CE1-CZ3 3.99Å; F371-W374 HydrophobicContact CE1-CZ3 3.99Å; F371-D375 PolarHBondContact O-N 2.78Å; F371-L905 HydrophobicContact CE2-CB 4.32Å; F371-L905 HydrophobicContact CE2-CD2 4.41Å; F371-L905 WeakPolarHBondContact CE2-O 3.4Å; F371-F906 HydrophobicContact CE1-CE1 4.39Å; F371-F906 HydrophobicContact CE2-CE1 4.45Å; F371-F906 HydrophobicContact CZ-CD1 4.32Å; F371-F906 AromaticContact CZ-CE1 3.71Å; F371-F906 HydrophobicContact CZ-CE1 3.71Å; F371-F906 HydrophobicContact CZ-CZ 4.06Å |
| 372 | I | 94.6 | Very high | 91.4 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.7 | -44.2 | 172.5 | -61.2 | 173 | 0 | 0 | 0 | 109.9 | S369 F370 W374 D375 L378 A387 V389 L398 Y827 L838 Y846 | S369-I372 PolarHBondContact O-N 3.35Å; F370-I372 VanDerWaalsContact C-N 3.27Å; F370-I372 PolarHBondContact O-N 3.34Å; I372-W374 VanDerWaalsContact C-N 3.28Å; I372-W374 PolarHBondContact O-N 2.9Å; I372-D375 PolarHBondContact O-N 3.25Å; I372-L378 HydrophobicContact CG2-CD1 4.02Å; I372-A387 HydrophobicContact CG2-CB 4.16Å; I372-V389 HydrophobicContact CB-CG2 3.79Å; I372-V389 HydrophobicContact CD1-CG2 4Å; I372-V389 HydrophobicContact CG1-CG2 4.45Å; I372-V389 HydrophobicContact CG2-CG2 3.92Å; I372-L398 HydrophobicContact CD1-CD1 4.41Å; I372-Y827 HydrophobicContact CD1-CD1 4.33Å; I372-Y827 HydrophobicContact CD1-CE1 3.86Å; I372-L838 HydrophobicContact CD1-CD1 4.29Å; I372-L838 HydrophobicContact CG2-CD1 3.97Å; I372-Y846 HydrophobicContact CD1-CE2 3.78Å; I372-Y846 HydrophobicContact CG1-CE2 3.86Å |
| 373 | G | 91 | Very high | 91.2 | Very high | 17 Ų | 17 | 59.2 Ų | 59.2 | 18% | 0.175 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -74 | -14.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | F370 A387 | F370-G373 CarbonylContact O-C 3.59Å; F370-G373 PolarHBondContact O-N 3.42Å; F370-G373 VanDerWaalsContact O-N 3.09Å; G373-A387 WeakPolarHBondContact CA-O 3.36Å |
| 374 | W | 94.3 | Very high | 91.2 | Very high | 173 Ų | 173 | 62 Ų | 62 | 66% | 0.655 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -6 | 176.1 | -65.1 | -18.6 | 0 | 0 | 0 | 113.7 | F370 F371 I372 L376 | F370-W374 HydrophobicContact CB-CD2 4.21Å; F370-W374 HydrophobicContact CB-CE3 4.31Å; F370-W374 HydrophobicContact CB-CH2 4Å; F370-W374 HydrophobicContact CB-CZ2 3.9Å; F370-W374 HydrophobicContact CB-CZ3 4.21Å; F370-W374 HydrophobicContact CG-CZ2 4.36Å; F370-W374 WeakPolarHBondContact O-CB 2.83Å; F370-W374 VanDerWaalsContact O-CG 3.25Å; F370-W374 PolarHBondContact O-N 2.93Å; F371-W374 AromaticContact CD1-CE3 3.86Å; F371-W374 HydrophobicContact CD1-CE3 3.86Å; F371-W374 HydrophobicContact CD1-CZ3 4Å; F371-W374 HydrophobicContact CE1-CE3 4.27Å; F371-W374 AromaticContact CE1-CZ3 3.99Å; F371-W374 HydrophobicContact CE1-CZ3 3.99Å; I372-W374 VanDerWaalsContact C-N 3.28Å; I372-W374 PolarHBondContact O-N 2.9Å; W374-L376 PolarHBondContact O-N 3.42Å |
| 375 | D | 95.3 | Very high | 90.9 | Very high | 29 Ų | 29 | 63.6 Ų | 63.6 | 16% | 0.155 | 31% | 0.309 | C | S | . | . | trans | -73.6 | 114.2 | 179.1 | -168.8 | -13.2 | 0 | 0 | 0 | 110.9 | F371 I372 D377 L378 K837 H842 | F371-D375 PolarHBondContact O-N 2.78Å; I372-D375 PolarHBondContact O-N 3.25Å; D375-D377 VanDerWaalsContact C-N 3.27Å; D375-D377 PolarHBondContact O-N 2.92Å; D375-D377 PolarHBondContact OD1-N 3.11Å; D375-L378 HydrophobicContact CB-CB 4.4Å; D375-L378 HydrophobicContact CB-CD1 4.03Å; D375-L378 HydrophobicContact CB-CG 4.08Å; D375-L378 PolarHBondContact O-N 3.16Å; D375-K837 VanDerWaalsContact CG-NZ 3.26Å; D375-K837 IonicContact OD1-NZ 2.93Å; D375-K837 PolarHBondContact OD1-NZ 2.89Å; D375-K837 WeakPolarHBondContact OD2-CE 3.49Å; D375-K837 IonicContact OD2-NZ 3.8Å; D375-K837 PolarHBondContact OD2-NZ 3.45Å; D375-H842 IonicContact OD2-CD2 3.48Å; D375-H842 IonicContact OD2-CE1 3.75Å; D375-H842 IonicContact OD2-NE2 3.48Å; D375-H842 PolarHBondContact OD2-NE2 3.29Å | ||
| 376 | L | 93.5 | Very high | 91 | Very high | 137 Ų | 137 | 69.2 Ų | 69.2 | 72% | 0.717 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -68.7 | -24.2 | -179.5 | -66.8 | 175.3 | 0 | 0 | 0 | 112.7 | W374 L378 Y379 | W374-L376 PolarHBondContact O-N 3.42Å; L376-L378 PolarHBondContact O-N 3.46Å; L376-Y379 VanDerWaalsContact O-CB 3.29Å; L376-Y379 WeakPolarHBondContact O-CB 3.34Å; L376-Y379 PolarHBondContact O-N 3.04Å; L376-Y379 VanDerWaalsContact O-N 3.08Å |
| 377 | D | 92.6 | Very high | 91.2 | Very high | 98 Ų | 98 | 67.1 Ų | 67.1 | 52% | 0.524 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -77 | -10.2 | 176.8 | -59 | -21.9 | 0 | 0 | 0 | 112 | D375 F834 K837 | D375-D377 VanDerWaalsContact C-N 3.27Å; D375-D377 PolarHBondContact O-N 2.92Å; D375-D377 PolarHBondContact OD1-N 3.11Å; D377-F834 WeakPolarHBondContact O-CD1 3.24Å; D377-F834 WeakPolarHBondContact O-CE1 3.48Å; D377-K837 HydrophobicContact CB-CD 3.75Å; D377-K837 VanDerWaalsContact CB-NZ 3.26Å; D377-K837 VanDerWaalsContact CG-NZ 3.3Å; D377-K837 IonicContact OD2-NZ 3.36Å; D377-K837 PolarHBondContact OD2-NZ 3.03Å |
| 378 | L | 93.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -99.4 | 11.1 | 170 | -55.2 | 179 | 0 | 0 | 0 | 111.9 | I372 D375 L376 A387 F834 K837 L838 | I372-L378 HydrophobicContact CG2-CD1 4.02Å; D375-L378 HydrophobicContact CB-CB 4.4Å; D375-L378 HydrophobicContact CB-CD1 4.03Å; D375-L378 HydrophobicContact CB-CG 4.08Å; D375-L378 PolarHBondContact O-N 3.16Å; L376-L378 PolarHBondContact O-N 3.46Å; L378-A387 HydrophobicContact CB-CB 3.82Å; L378-A387 HydrophobicContact CD1-CB 4.15Å; L378-A387 PolarHBondContact O-N 3.11Å; L378-F834 HydrophobicContact CD2-CB 3.76Å; L378-F834 HydrophobicContact CD2-CD1 4.24Å; L378-F834 HydrophobicContact CD2-CG 4.22Å; L378-K837 HydrophobicContact CD2-CB 4.17Å; L378-K837 HydrophobicContact CD2-CD 4.33Å; L378-K837 HydrophobicContact CD2-CG 4.41Å; L378-L838 HydrophobicContact CD1-CD1 4.49Å |
| 379 | Y | 93.5 | Very high | 91.1 | Very high | 84 Ų | 84 | 70.4 Ų | 70.4 | 33% | 0.329 | 34% | 0.34 | S | S | . | . | trans | -95.5 | 134.2 | 173.3 | 173.4 | -102.9 | 0 | 0 | 0 | 110.4 | L376 E381 N384 Q385 K386 | L376-Y379 VanDerWaalsContact O-CB 3.29Å; L376-Y379 WeakPolarHBondContact O-CB 3.34Å; L376-Y379 PolarHBondContact O-N 3.04Å; L376-Y379 VanDerWaalsContact O-N 3.08Å; Y379-E381 HydrophobicContact CE1-CB 4.21Å; Y379-N384 PolarHBondContact OH-OD1 3.46Å; Y379-Q385 VanDerWaalsContact CD2-O 3.31Å; Y379-Q385 WeakPolarHBondContact CD2-O 3.39Å; Y379-K386 HydrophobicContact CD2-CB 4.19Å | ||
| 380 | H | 91.8 | Very high | 90.8 | Very high | 9 Ų | 9 | 72.4 Ų | 72.4 | 4% | 0.042 | 35% | 0.35 | C | S | . | . | B | Isolated β-bridge | trans | -105.7 | 113.2 | 176.5 | -169.2 | -103.8 | 0 | 0 | 0 | 109.8 | E382 S383 N384 Q385 A830 R831 F834 | H380-E382 IonicContact CE1-OE2 2.74Å; H380-E382 PolarHBondContact CE1-OE2 2.86Å; H380-E382 IonicContact NE2-OE2 3.93Å; H380-S383 WeakPolarHBondContact ND1-CB 3.48Å; H380-S383 PolarHBondContact ND1-N 3.28Å; H380-S383 PolarHBondContact ND1-OG 3.14Å; H380-N384 WeakPolarHBondContact O-CA 3.47Å; H380-N384 PolarHBondContact O-N 3.22Å; H380-Q385 PolarHBondContact N-O 2.94Å; H380-Q385 PolarHBondContact O-N 2.8Å; H380-A830 HydrophobicContact CB-CB 3.48Å; H380-A830 VanDerWaalsContact CB-CB 3.48Å; H380-R831 VanDerWaalsContact CD2-CG 3.44Å; H380-R831 WeakPolarHBondContact CD2-CG 3.31Å; H380-R831 PolarHBondContact CE1-NE 3.01Å; H380-R831 VanDerWaalsContact CE1-NE 3.32Å; H380-R831 PolarHBondContact NE2-NE 2.85Å; H380-F834 HydrophobicContact CB-CE2 4.03Å; H380-F834 HydrophobicContact CB-CZ 4.24Å |
| 381 | E | 89.3 | Confident | 90.4 | Very high | 165 Ų | 165 | 70.1 Ų | 70.1 | 77% | 0.771 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -47.7 | -173.6 | -170.6 | 172.3 | -171.9 | 0 | 0 | 112.5 | Y379 S383 N384 | Y379-E381 HydrophobicContact CE1-CB 4.21Å; E381-S383 VanDerWaalsContact C-N 3.3Å; E381-S383 PolarHBondContact O-N 3.02Å; E381-N384 PolarHBondContact O-N 2.86Å; E381-N384 VanDerWaalsContact O-N 3.13Å |
| 382 | E | 86.2 | Confident | 89.9 | Confident | 159 Ų | 159 | 68.1 Ų | 68.1 | 74% | 0.743 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -33.6 | -175.2 | -53 | 177.2 | 157.9 | 0 | 0 | 113.4 | H380 R831 | H380-E382 IonicContact CE1-OE2 2.74Å; H380-E382 PolarHBondContact CE1-OE2 2.86Å; H380-E382 IonicContact NE2-OE2 3.93Å; E382-R831 IonicContact OE2-NH2 3.78Å |
| 383 | S | 81.6 | Confident | 89.5 | Confident | 47 Ų | 47 | 69.6 Ų | 69.6 | 33% | 0.329 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -3.2 | 179.3 | 65.7 | 0 | 0 | 0 | 0 | 113.2 | H380 E381 Q385 | H380-S383 WeakPolarHBondContact ND1-CB 3.48Å; H380-S383 PolarHBondContact ND1-N 3.28Å; H380-S383 PolarHBondContact ND1-OG 3.14Å; E381-S383 VanDerWaalsContact C-N 3.3Å; E381-S383 PolarHBondContact O-N 3.02Å; S383-Q385 VanDerWaalsContact C-N 3.3Å; S383-Q385 WeakPolarHBondContact O-CG 3.36Å; S383-Q385 PolarHBondContact O-N 2.89Å; S383-Q385 PolarHBondContact OG-OE1 2.91Å |
| 384 | N | 87.2 | Confident | 89.5 | Confident | 122 Ų | 122 | 68.9 Ų | 68.9 | 65% | 0.652 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | 50.6 | -173.4 | -170.9 | 12.2 | 0 | 0 | 0 | 112.3 | Y379 H380 E381 | Y379-N384 PolarHBondContact OH-OD1 3.46Å; H380-N384 WeakPolarHBondContact O-CA 3.47Å; H380-N384 PolarHBondContact O-N 3.22Å; E381-N384 PolarHBondContact O-N 2.86Å; E381-N384 VanDerWaalsContact O-N 3.13Å |
| 385 | Q | 86.4 | Confident | 89.4 | Confident | 35 Ų | 35 | 60.6 Ų | 60.6 | 16% | 0.164 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -126.6 | 131.7 | -175.7 | -76.5 | 168.3 | 2.2 | 0 | 0 | 111.4 | Y379 H380 S383 M814 A830 | Y379-Q385 VanDerWaalsContact CD2-O 3.31Å; Y379-Q385 WeakPolarHBondContact CD2-O 3.39Å; H380-Q385 PolarHBondContact N-O 2.94Å; H380-Q385 PolarHBondContact O-N 2.8Å; S383-Q385 VanDerWaalsContact C-N 3.3Å; S383-Q385 WeakPolarHBondContact O-CG 3.36Å; S383-Q385 PolarHBondContact O-N 2.89Å; S383-Q385 PolarHBondContact OG-OE1 2.91Å; Q385-M814 HydrophobicContact CB-SD 3.97Å; Q385-M814 HydrophobicContact CG-SD 4.09Å; Q385-M814 PolarHBondContact OE1-O 3.18Å; Q385-A830 HydrophobicContact CB-CB 4.1Å |
| 386 | K | 91.9 | Very high | 89.4 | Confident | 129 Ų | 129 | 59.3 Ų | 59.3 | 56% | 0.561 | 30% | 0.297 | S | S | * | . | trans | -100.6 | 157.3 | 173.1 | 64.2 | 179.8 | -177.1 | 177.7 | 0 | 111.1 | Y379 M814 | Y379-K386 HydrophobicContact CD2-CB 4.19Å; K386-M814 WeakPolarHBondContact O-CE 3.34Å | ||
| 387 | A | 92.7 | Very high | 89.4 | Confident | 3 Ų | 3 | 52.9 Ų | 52.9 | 3% | 0.025 | 26% | 0.263 | C | S | . | . | trans | -57.9 | 141.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I372 G373 L378 A828 I829 | I372-A387 HydrophobicContact CG2-CB 4.16Å; G373-A387 WeakPolarHBondContact CA-O 3.36Å; L378-A387 HydrophobicContact CB-CB 3.82Å; L378-A387 HydrophobicContact CD1-CB 4.15Å; L378-A387 PolarHBondContact O-N 3.11Å; A387-A828 CarbonylContact C-O 3.6Å; A387-A828 VanDerWaalsContact CA-O 3.31Å; A387-A828 WeakPolarHBondContact CA-O 3.38Å; A387-I829 HydrophobicContact CB-CG2 4.47Å | ||
| 388 | Q | 89.3 | Confident | 89.5 | Confident | 95 Ų | 95 | 48.2 Ų | 48.2 | 44% | 0.444 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 136.8 | 179.5 | 178 | 176.5 | -8.7 | 0 | 0 | 110 | N390 M814 Y827 A828 | Q388-N390 PolarHBondContact NE2-OD1 2.77Å; Q388-M814 HydrophobicContact CB-CE 3.88Å; Q388-Y827 CarbonylContact O-C 3.47Å; Q388-Y827 WeakPolarHBondContact O-CA 3.43Å; Q388-A828 HydrophobicContact CB-CB 4.32Å; Q388-A828 PolarHBondContact N-O 3.04Å; Q388-A828 PolarHBondContact O-N 2.93Å |
| 389 | V | 90.7 | Very high | 89.5 | Confident | 32 Ų | 32 | 48.2 Ų | 48.2 | 19% | 0.194 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 116.1 | 173.5 | -172.9 | 0 | 0 | 0 | 0 | 108.1 | S369 I372 T391 Y827 | S369-V389 WeakPolarHBondContact O-CG2 3.28Å; I372-V389 HydrophobicContact CB-CG2 3.79Å; I372-V389 HydrophobicContact CD1-CG2 4Å; I372-V389 HydrophobicContact CG1-CG2 4.45Å; I372-V389 HydrophobicContact CG2-CG2 3.92Å; V389-T391 WeakPolarHBondContact CG1-O 3.06Å; V389-Y827 HydrophobicContact CB-CD1 4.35Å; V389-Y827 HydrophobicContact CB-CE1 4.47Å; V389-Y827 HydrophobicContact CG1-CD1 3.98Å; V389-Y827 HydrophobicContact CG1-CE1 3.71Å; V389-Y827 HydrophobicContact CG2-CD1 3.99Å; V389-Y827 HydrophobicContact CG2-CE1 4.15Å |
| 390 | N | 84.1 | Confident | 89.5 | Confident | 55 Ų | 55 | 44.3 Ų | 44.3 | 29% | 0.294 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -93.3 | -27.6 | 176.4 | -64.3 | -35.2 | 0 | 0 | 0 | 112.2 | Q388 V822 S825 D826 | Q388-N390 PolarHBondContact NE2-OD1 2.77Å; N390-V822 PolarHBondContact ND2-O 2.89Å; N390-S825 WeakPolarHBondContact CB-O 3.45Å; N390-S825 PolarHBondContact ND2-O 3.45Å; N390-D826 WeakPolarHBondContact CA-O 3.36Å; N390-D826 WeakPolarHBondContact CB-O 3.44Å; N390-D826 PolarHBondContact N-O 2.86Å |
| 391 | T | 84.2 | Confident | 89.7 | Confident | 30 Ų | 30 | 44 Ų | 44 | 18% | 0.184 | 22% | 0.221 | C | C | . | . | trans | -123.8 | 107.6 | 179.7 | -53.9 | 0 | 0 | 0 | 0 | 109.2 | V389 D393 L394 D826 | V389-T391 WeakPolarHBondContact CG1-O 3.06Å; T391-D393 VanDerWaalsContact C-N 3.32Å; T391-D393 HydrophobicContact CG2-CB 4.48Å; T391-D393 PolarHBondContact O-N 2.86Å; T391-L394 HydrophobicContact CG2-CD1 3.8Å; T391-L394 HydrophobicContact CG2-CG 3.9Å; T391-D826 WeakPolarHBondContact CB-OD1 3.42Å; T391-D826 PolarHBondContact N-O 3.17Å; T391-D826 VanDerWaalsContact N-O 3.1Å; T391-D826 PolarHBondContact OG1-OD1 3.29Å | ||
| 392 | S | 84.8 | Confident | 89.9 | Confident | 8 Ų | 8 | 38.5 Ų | 38.5 | 6% | 0.056 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -75.2 | -18.7 | -178.8 | 58 | 0 | 0 | 0 | 0 | 113.9 | K104 E108 L394 N395 | K104-S392 WeakPolarHBondContact CE-OG 3.38Å; K104-S392 PolarHBondContact NZ-OG 3.04Å; K104-S392 VanDerWaalsContact NZ-OG 3.1Å; E108-S392 PolarHBondContact OE1-OG 3.4Å; S392-L394 VanDerWaalsContact C-N 3.29Å; S392-L394 PolarHBondContact O-N 3.4Å; S392-N395 PolarHBondContact O-ND2 2.72Å |
| 393 | D | 85.5 | Confident | 90.3 | Very high | 34 Ų | 34 | 31.4 Ų | 31.4 | 18% | 0.182 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -78.7 | -6.1 | -169.4 | -67 | -21.8 | 0 | 0 | 0 | 114.9 | K104 K365 T391 | K104-D393 IonicContact NZ-OD1 3.87Å; K104-D393 PolarHBondContact NZ-OD1 2.81Å; K365-D393 PolarHBondContact NZ-O 3.09Å; T391-D393 VanDerWaalsContact C-N 3.32Å; T391-D393 HydrophobicContact CG2-CB 4.48Å; T391-D393 PolarHBondContact O-N 2.86Å |
| 394 | L | 91.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -116.3 | 12.3 | -168.4 | -59.5 | 174.7 | 0 | 0 | 0 | 114.3 | K278 T391 S392 E396 E397 D826 Y827 | K278-L394 HydrophobicContact CB-CD1 3.93Å; K278-L394 HydrophobicContact CB-CD2 4Å; K278-L394 HydrophobicContact CB-CG 4.5Å; K278-L394 HydrophobicContact CD-CD1 4Å; K278-L394 HydrophobicContact CG-CD1 4.49Å; T391-L394 HydrophobicContact CG2-CD1 3.8Å; T391-L394 HydrophobicContact CG2-CG 3.9Å; S392-L394 VanDerWaalsContact C-N 3.29Å; S392-L394 PolarHBondContact O-N 3.4Å; L394-E396 VanDerWaalsContact C-N 3.25Å; L394-E396 PolarHBondContact O-N 2.89Å; L394-E397 HydrophobicContact CB-CB 4.41Å; L394-E397 WeakPolarHBondContact O-CB 3.41Å; L394-E397 PolarHBondContact O-N 2.9Å; L394-D826 HydrophobicContact CD1-CB 4.09Å; L394-Y827 PolarHBondContact O-OH 3.14Å |
| 395 | N | 93.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -57.8 | -38.9 | -173 | -66.8 | -20.9 | 0 | 0 | 0 | 112.4 | K365 S369 S392 E397 Y827 Y846 | K365-N395 PolarHBondContact O-ND2 3.02Å; S369-N395 PolarHBondContact N-ND2 3.01Å; S392-N395 PolarHBondContact O-ND2 2.72Å; N395-E397 VanDerWaalsContact C-N 3.31Å; N395-E397 PolarHBondContact O-N 2.76Å; N395-Y827 WeakPolarHBondContact CA-OH 3.5Å; N395-Y827 PolarHBondContact N-OH 3.15Å; N395-Y827 VanDerWaalsContact N-OH 3.1Å; N395-Y827 PolarHBondContact OD1-OH 3.34Å; N395-Y827 VanDerWaalsContact OD1-OH 3.14Å; N395-Y846 HydrophobicContact CB-CD1 4.03Å; N395-Y846 HydrophobicContact CB-CD2 3.86Å; N395-Y846 HydrophobicContact CB-CE1 4.43Å; N395-Y846 HydrophobicContact CB-CE2 4.29Å; N395-Y846 HydrophobicContact CB-CG 3.77Å; N395-Y846 WeakPolarHBondContact O-CB 3.37Å |
| 396 | E | 93.4 | Very high | 91.9 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.009 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -73.7 | -21.7 | 179.2 | 72.4 | -85.6 | -155.9 | 0 | 0 | 114 | S280 V282 K365 L394 L398 G399 I850 | S280-E396 WeakPolarHBondContact CB-OE1 3.37Å; S280-E396 PolarHBondContact OG-OE1 3.4Å; V282-E396 HydrophobicContact CB-CG 4Å; V282-E396 HydrophobicContact CG2-CB 4.43Å; V282-E396 HydrophobicContact CG2-CG 3.63Å; K365-E396 VanDerWaalsContact CE-CD 3.48Å; K365-E396 WeakPolarHBondContact CE-OE1 3.31Å; K365-E396 WeakPolarHBondContact CE-OE2 3.28Å; K365-E396 IonicContact NZ-OE1 2.79Å; K365-E396 PolarHBondContact NZ-OE1 3.31Å; K365-E396 IonicContact NZ-OE2 3.55Å; K365-E396 PolarHBondContact NZ-OE2 2.94Å; L394-E396 VanDerWaalsContact C-N 3.25Å; L394-E396 PolarHBondContact O-N 2.89Å; E396-L398 PolarHBondContact O-N 2.72Å; E396-G399 PolarHBondContact O-N 3.48Å; E396-I850 HydrophobicContact CB-CB 4.46Å; E396-I850 HydrophobicContact CB-CD1 4.41Å; E396-I850 HydrophobicContact CB-CG2 3.58Å; E396-I850 HydrophobicContact CG-CD1 4.13Å; E396-I850 HydrophobicContact CG-CG2 4.02Å |
| 397 | E | 94.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.009 | 8% | 0.083 | C | C | . | . | G | 310 helix | trans | -70.1 | -26.2 | -178.1 | -156 | 68.6 | -165.2 | 0 | 0 | 110.9 | S280 A281 L394 N395 G399 Q400 I790 V809 | S280-E397 VanDerWaalsContact CA-OE2 3.28Å; S280-E397 WeakPolarHBondContact CA-OE2 3.29Å; S280-E397 VanDerWaalsContact CB-OE2 3.23Å; S280-E397 WeakPolarHBondContact CB-OE2 3.44Å; A281-E397 PolarHBondContact N-OE2 3.35Å; L394-E397 HydrophobicContact CB-CB 4.41Å; L394-E397 WeakPolarHBondContact O-CB 3.41Å; L394-E397 PolarHBondContact O-N 2.9Å; N395-E397 VanDerWaalsContact C-N 3.31Å; N395-E397 PolarHBondContact O-N 2.76Å; E397-G399 PolarHBondContact O-N 2.78Å; E397-Q400 PolarHBondContact O-N 3.4Å; E397-I790 HydrophobicContact CG-CG2 3.88Å; E397-I790 WeakPolarHBondContact OE1-CD1 3.27Å; E397-I790 WeakPolarHBondContact OE1-CG1 3.49Å; E397-I790 WeakPolarHBondContact OE1-CG2 3.41Å; E397-V809 HydrophobicContact CB-CG2 3.77Å; E397-V809 HydrophobicContact CG-CG2 3.68Å |
| 398 | L | 95 | Very high | 91.7 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -58.4 | -27.4 | 172.9 | -68.2 | 172 | 0 | 0 | 0 | 112.8 | I372 E396 Q400 L792 V809 Y827 L838 L839 Y922 | I372-L398 HydrophobicContact CD1-CD1 4.41Å; E396-L398 PolarHBondContact O-N 2.72Å; L398-Q400 VanDerWaalsContact C-N 3.31Å; L398-L792 HydrophobicContact CD2-CD1 4.3Å; L398-V809 HydrophobicContact CD2-CG1 3.88Å; L398-Y827 HydrophobicContact CD1-CE1 3.97Å; L398-Y827 HydrophobicContact CD1-CE2 4.07Å; L398-Y827 HydrophobicContact CD2-CD2 4.14Å; L398-Y827 HydrophobicContact CD2-CE2 3.86Å; L398-Y827 HydrophobicContact CG-CE2 4Å; L398-L838 HydrophobicContact CD1-CD1 3.93Å; L398-L838 HydrophobicContact CD1-CG 4.15Å; L398-L838 HydrophobicContact CD2-CD2 4.49Å; L398-L838 HydrophobicContact CD2-CG 4.43Å; L398-L839 HydrophobicContact CB-CD2 4.13Å; L398-L839 HydrophobicContact CD2-CD2 3.74Å; L398-L839 WeakPolarHBondContact O-CD2 3.45Å; L398-Y922 PolarHBondContact O-OH 3.24Å |
| 399 | G | 93.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.069 | C | C | . | . | G | 310 helix | trans | -84.4 | -2.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | E396 E397 G843 Y922 I925 | E396-G399 PolarHBondContact O-N 3.48Å; E397-G399 PolarHBondContact O-N 2.78Å; G399-G843 VanDerWaalsContact CA-C 3.43Å; G399-G843 VanDerWaalsContact CA-O 3.29Å; G399-G843 WeakPolarHBondContact CA-O 3.35Å; G399-Y922 PolarHBondContact O-OH 3.32Å; G399-I925 VanDerWaalsContact O-CD1 3.29Å; G399-I925 WeakPolarHBondContact O-CD1 3.5Å |
| 400 | Q | 94.2 | Very high | 90.8 | Very high | 3 Ų | 3 | 11.3 Ų | 11.3 | 1% | 0.014 | 6% | 0.062 | C | C | . | . | S | Bend | trans | -118.5 | -1.8 | -172.8 | -63 | -60.6 | -68.9 | 0 | 0 | 113.6 | E397 L398 E402 I790 Y847 Y922 I925 | E397-Q400 PolarHBondContact O-N 3.4Å; L398-Q400 VanDerWaalsContact C-N 3.31Å; Q400-E402 PolarHBondContact O-N 2.84Å; Q400-I790 HydrophobicContact CB-CG1 4.07Å; Q400-I790 WeakPolarHBondContact O-CB 3.08Å; Q400-Y847 VanDerWaalsContact CD-CE2 3.48Å; Q400-Y847 HydrophobicContact CG-CD2 3.8Å; Q400-Y847 HydrophobicContact CG-CE2 4.04Å; Q400-Y847 VanDerWaalsContact NE2-CE2 3.28Å; Q400-Y847 VanDerWaalsContact NE2-CG 3.32Å; Q400-Y922 PolarHBondContact N-OH 3.31Å; Q400-I925 PolarHBondContact NE2-O 3.3Å; Q400-I925 PolarHBondContact OE1-O 3.29Å |
| 401 | V | 95.2 | Very high | 91 | Very high | 2 Ų | 2 | 8.7 Ų | 8.7 | 1% | 0.012 | 5% | 0.048 | C | C | . | . | trans | -58.4 | 127.5 | -178.7 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | I675 I790 L792 L839 Y922 | V401-I675 HydrophobicContact CG1-CG2 4.43Å; V401-I790 HydrophobicContact CG2-CG2 4.48Å; V401-L792 HydrophobicContact CB-CB 4.4Å; V401-L792 HydrophobicContact CG1-CB 3.51Å; V401-L792 HydrophobicContact CG1-CD1 4.32Å; V401-L792 HydrophobicContact CG2-CB 3.94Å; V401-L792 HydrophobicContact CG2-CD1 3.71Å; V401-L792 HydrophobicContact CG2-CG 4.48Å; V401-L839 HydrophobicContact CG2-CD2 4.15Å; V401-Y922 PolarHBondContact N-OH 3.03Å; V401-Y922 WeakPolarHBondContact O-CE1 3.44Å; V401-Y922 PolarHBondContact O-OH 3.4Å | ||
| 402 | E | 93.9 | Very high | 91.3 | Very high | 50 Ų | 50 | 7.3 Ų | 7.3 | 23% | 0.234 | 4% | 0.04 | C | C | . | . | trans | -112.1 | -31.8 | 175.7 | -69.9 | -178.7 | -101.4 | 0 | 0 | 112.2 | Q400 I675 K676 P789 I790 | Q400-E402 PolarHBondContact O-N 2.84Å; E402-I675 WeakPolarHBondContact O-CA 3.49Å; E402-K676 PolarHBondContact O-N 3.44Å; E402-P789 HydrophobicContact CB-CB 4.22Å; E402-I790 PolarHBondContact N-O 2.91Å | ||
| 403 | Y | 95.3 | Very high | 91.5 | Very high | 9 Ų | 9 | 7 Ų | 7 | 4% | 0.035 | 4% | 0.037 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 130.9 | 177.9 | -72.7 | -102.2 | 0 | 0 | 0 | 110.7 | K676 W678 L782 P789 I790 L792 | Y403-K676 CarbonylContact C-O 3.57Å; Y403-K676 WeakPolarHBondContact CA-O 3.44Å; Y403-K676 HydrophobicContact CD1-CB 3.81Å; Y403-K676 HydrophobicContact CD1-CD 4.46Å; Y403-K676 HydrophobicContact CE1-CB 3.85Å; Y403-K676 HydrophobicContact CE1-CD 3.66Å; Y403-K676 HydrophobicContact CE1-CG 4.36Å; Y403-K676 HydrophobicContact CG-CB 4.4Å; Y403-W678 AromaticContact CD1-NE1 3.79Å; Y403-W678 HydrophobicContact CE1-CZ2 4.17Å; Y403-W678 AromaticContact CE1-NE1 3.8Å; Y403-L782 HydrophobicContact CD1-CD1 3.83Å; Y403-L782 HydrophobicContact CD1-CD2 4.31Å; Y403-L782 HydrophobicContact CE1-CD1 4.1Å; Y403-L782 HydrophobicContact CE1-CD2 3.98Å; Y403-L782 HydrophobicContact CE2-CD2 4.31Å; Y403-L782 HydrophobicContact CG-CD1 4.36Å; Y403-P789 HydrophobicContact CD2-CB 3.68Å; Y403-P789 HydrophobicContact CD2-CG 3.93Å; Y403-P789 HydrophobicContact CE2-CB 3.73Å; Y403-P789 HydrophobicContact CE2-CG 3.85Å; Y403-I790 PolarHBondContact N-O 2.73Å; Y403-L792 PolarHBondContact O-N 3.28Å |
| 404 | L | 96.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 3% | 0.034 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 114.9 | 173.2 | 170.6 | 61.2 | 0 | 0 | 0 | 109.3 | L670 I675 K676 I677 W678 L792 V794 F832 L835 | L404-L670 HydrophobicContact CD2-CD1 3.78Å; L404-I675 HydrophobicContact CB-CG2 3.76Å; L404-K676 PolarHBondContact N-O 2.72Å; L404-I677 HydrophobicContact CB-CG1 4.25Å; L404-I677 HydrophobicContact CD2-CD1 4.38Å; L404-I677 HydrophobicContact CD2-CG1 4.12Å; L404-I677 HydrophobicContact CD2-CG2 4.3Å; L404-I677 HydrophobicContact CG-CG2 4.4Å; L404-I677 CarbonylContact O-C 3.46Å; L404-I677 WeakPolarHBondContact O-CA 3.5Å; L404-W678 PolarHBondContact O-N 2.75Å; L404-L792 CarbonylContact C-O 3.57Å; L404-L792 WeakPolarHBondContact CA-O 3.4Å; L404-L792 HydrophobicContact CD1-CD2 3.39Å; L404-V794 HydrophobicContact CD1-CG2 3.57Å; L404-F832 HydrophobicContact CD2-CZ 4.34Å; L404-L835 HydrophobicContact CD1-CD2 4.07Å; L404-L835 HydrophobicContact CD2-CD2 3.7Å |
| 405 | F | 97 | Very high | 90.6 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 126.4 | 166 | -56.1 | -77.1 | 0 | 0 | 0 | 109.1 | W678 L680 V778 V779 L782 T791 L792 A793 V794 M803 | F405-W678 CarbonylContact C-O 3.58Å; F405-W678 WeakPolarHBondContact CA-O 3.13Å; F405-W678 HydrophobicContact CD1-CB 3.69Å; F405-W678 HydrophobicContact CD1-CE3 4.34Å; F405-W678 HydrophobicContact CD1-CG 4.3Å; F405-W678 HydrophobicContact CE1-CB 4.05Å; F405-W678 AromaticContact CE1-CD2 3.96Å; F405-W678 HydrophobicContact CE1-CD2 3.96Å; F405-W678 AromaticContact CE1-CE3 3.67Å; F405-W678 HydrophobicContact CE1-CE3 3.67Å; F405-W678 HydrophobicContact CE1-CG 4.17Å; F405-W678 HydrophobicContact CE1-CZ3 4.38Å; F405-L680 HydrophobicContact CB-CD1 4.22Å; F405-L680 HydrophobicContact CD1-CD1 3.79Å; F405-L680 HydrophobicContact CD1-CG 4.24Å; F405-L680 HydrophobicContact CG-CD1 4.29Å; F405-V778 HydrophobicContact CE1-CG1 4.16Å; F405-V779 HydrophobicContact CB-CG2 4.44Å; F405-V779 HydrophobicContact CD1-CG2 4.35Å; F405-V779 HydrophobicContact CD2-CB 4.41Å; F405-V779 HydrophobicContact CD2-CG1 4.26Å; F405-V779 HydrophobicContact CD2-CG2 3.65Å; F405-V779 HydrophobicContact CE2-CB 4.12Å; F405-V779 HydrophobicContact CE2-CG1 3.95Å; F405-V779 HydrophobicContact CE2-CG2 3.8Å; F405-V779 HydrophobicContact CG-CG2 3.91Å; F405-V779 HydrophobicContact CZ-CB 4.49Å; F405-V779 HydrophobicContact CZ-CG2 4.21Å; F405-L782 HydrophobicContact CE1-CD1 3.66Å; F405-L782 HydrophobicContact CE2-CD1 4.47Å; F405-L782 HydrophobicContact CZ-CB 4.05Å; F405-L782 HydrophobicContact CZ-CD1 3.31Å; F405-L782 HydrophobicContact CZ-CG 4.28Å; F405-T791 HydrophobicContact CE2-CG2 3.66Å; F405-T791 HydrophobicContact CZ-CG2 4.34Å; F405-L792 PolarHBondContact N-O 3.05Å; F405-A793 HydrophobicContact CB-CB 4.38Å; F405-A793 CarbonylContact O-C 3.56Å; F405-A793 VanDerWaalsContact O-CA 3.29Å; F405-A793 WeakPolarHBondContact O-CA 3.26Å; F405-V794 PolarHBondContact O-N 2.93Å; F405-M803 HydrophobicContact CB-SD 3.99Å |
| 406 | T | 95.2 | Very high | 90 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 140.5 | 178.7 | -174 | 0 | 0 | 0 | 0 | 110 | T411 L412 I677 W678 V679 L680 | T406-T411 WeakPolarHBondContact OG1-CG2 3.32Å; T406-L412 HydrophobicContact CG2-CD1 4.09Å; T406-L412 HydrophobicContact CG2-CD2 4.34Å; T406-L412 HydrophobicContact CG2-CG 4.38Å; T406-I677 HydrophobicContact CG2-CG2 4.15Å; T406-W678 PolarHBondContact N-O 2.87Å; T406-V679 HydrophobicContact CG2-CB 4.39Å; T406-V679 HydrophobicContact CG2-CG2 3.76Å; T406-V679 WeakPolarHBondContact O-CA 3.25Å; T406-L680 PolarHBondContact O-N 3.48Å |
| 407 | D | 91.3 | Very high | 89.6 | Confident | 9 Ų | 9 | 12.6 Ų | 12.6 | 5% | 0.048 | 6% | 0.064 | C | C | . | . | trans | -74.5 | 162.3 | 162.4 | -167.2 | 55.5 | 0 | 0 | 0 | 110.8 | T409 T411 L412 K775 V794 D800 | D407-T409 PolarHBondContact OD2-N 3.27Å; D407-T411 WeakPolarHBondContact O-CB 3.39Å; D407-T411 WeakPolarHBondContact O-CG2 3.41Å; D407-L412 WeakPolarHBondContact O-CG 3.45Å; D407-K775 IonicContact OD1-NZ 2.94Å; D407-K775 PolarHBondContact OD1-NZ 3.33Å; D407-V794 PolarHBondContact N-O 3.36Å; D407-V794 VanDerWaalsContact N-O 3.13Å; D407-D800 WeakPolarHBondContact CB-OD2 3.1Å | ||
| 408 | K | 88.6 | Confident | 89.3 | Confident | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.009 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -90.2 | -54.3 | 177.2 | -173.8 | -119.8 | 65.7 | 168.7 | 0 | 111.5 | L412 T413 D657 V679 T681 D683 V691 | K408-L412 PolarHBondContact O-N 2.88Å; K408-L412 VanDerWaalsContact O-N 3.1Å; K408-T413 PolarHBondContact O-N 3.04Å; K408-D657 IonicContact NZ-OD2 2.65Å; K408-D657 PolarHBondContact NZ-OD2 3.32Å; K408-V679 HydrophobicContact CB-CG1 4.24Å; K408-T681 HydrophobicContact CB-CG2 4.49Å; K408-D683 VanDerWaalsContact CD-OD2 3.23Å; K408-D683 WeakPolarHBondContact CD-OD2 3.45Å; K408-D683 WeakPolarHBondContact CE-OD2 3.5Å; K408-D683 IonicContact NZ-OD2 2.6Å; K408-D683 PolarHBondContact NZ-OD2 2.91Å; K408-V691 HydrophobicContact CD-CB 4.22Å; K408-V691 HydrophobicContact CD-CG1 4.17Å; K408-V691 HydrophobicContact CD-CG2 4.1Å; K408-V691 HydrophobicContact CG-CB 4.16Å; K408-V691 HydrophobicContact CG-CG1 3.69Å |
| 409 | T | 82.3 | Confident | 89.1 | Confident | 26 Ų | 26 | 14.8 Ų | 14.8 | 16% | 0.16 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 135 | -170.7 | -58.6 | 0 | 0 | 0 | 0 | 108.3 | D407 T411 N415 D796 | D407-T409 PolarHBondContact OD2-N 3.27Å; T409-T411 PolarHBondContact O-N 2.89Å; T409-N415 HydrophobicContact CG2-CB 4.32Å; T409-D796 VanDerWaalsContact O-OD1 3.08Å |
| 410 | G | 79.1 | Confident | 89 | Confident | 5 Ų | 5 | 18.9 Ų | 18.9 | 5% | 0.052 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | -11.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | T413 Q660 D796 | G410-T413 CarbonylContact C-O 3.47Å; G410-T413 VanDerWaalsContact C-O 3.24Å; G410-T413 WeakPolarHBondContact CA-O 3.38Å; G410-T413 PolarHBondContact N-O 2.84Å; G410-Q660 PolarHBondContact O-NE2 2.84Å; G410-D796 VanDerWaalsContact C-CG 3.48Å; G410-D796 WeakPolarHBondContact CA-OD2 3.41Å |
| 411 | T | 87.7 | Confident | 88.9 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | -61.4 | 175 | -64.5 | 0 | 0 | 0 | 0 | 112.4 | T406 D407 T409 Q660 V794 G795 D796 I813 F832 | T406-T411 WeakPolarHBondContact OG1-CG2 3.32Å; D407-T411 WeakPolarHBondContact O-CB 3.39Å; D407-T411 WeakPolarHBondContact O-CG2 3.41Å; T409-T411 PolarHBondContact O-N 2.89Å; T411-Q660 PolarHBondContact O-NE2 2.95Å; T411-Q660 VanDerWaalsContact O-NE2 3.1Å; T411-V794 HydrophobicContact CG2-CB 4.34Å; T411-V794 HydrophobicContact CG2-CG1 3.78Å; T411-G795 WeakPolarHBondContact OG1-CA 3.35Å; T411-D796 PolarHBondContact OG1-N 2.94Å; T411-I813 HydrophobicContact CG2-CD1 3.71Å; T411-F832 HydrophobicContact CG2-CD2 3.93Å; T411-F832 HydrophobicContact CG2-CE2 4.3Å |
| 412 | L | 90.7 | Very high | 88.8 | Confident | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -30.9 | 174.7 | -63.3 | 177.9 | 0 | 0 | 0 | 111.4 | T406 D407 K408 L659 Q660 V663 I667 V679 F832 | T406-L412 HydrophobicContact CG2-CD1 4.09Å; T406-L412 HydrophobicContact CG2-CD2 4.34Å; T406-L412 HydrophobicContact CG2-CG 4.38Å; D407-L412 WeakPolarHBondContact O-CG 3.45Å; K408-L412 PolarHBondContact O-N 2.88Å; K408-L412 VanDerWaalsContact O-N 3.1Å; L412-L659 WeakPolarHBondContact O-CA 3.3Å; L412-Q660 PolarHBondContact O-N 3.39Å; L412-V663 HydrophobicContact CB-CG1 4.42Å; L412-V663 HydrophobicContact CD2-CG1 3.75Å; L412-I667 HydrophobicContact CD2-CD1 4.12Å; L412-V679 HydrophobicContact CD1-CG1 4.38Å; L412-V679 HydrophobicContact CD1-CG2 4.19Å; L412-F832 HydrophobicContact CD2-CD1 4.37Å; L412-F832 HydrophobicContact CD2-CD2 4.14Å; L412-F832 HydrophobicContact CD2-CE1 4.07Å; L412-F832 HydrophobicContact CD2-CE2 3.83Å; L412-F832 HydrophobicContact CD2-CG 4.4Å; L412-F832 HydrophobicContact CD2-CZ 3.79Å |
| 413 | T | 87.8 | Confident | 88.8 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 157.3 | 176.1 | 82.6 | 0 | 0 | 0 | 0 | 111.3 | K408 G410 N415 D657 K658 L659 Q660 V691 | K408-T413 PolarHBondContact O-N 3.04Å; G410-T413 CarbonylContact C-O 3.47Å; G410-T413 VanDerWaalsContact C-O 3.24Å; G410-T413 WeakPolarHBondContact CA-O 3.38Å; G410-T413 PolarHBondContact N-O 2.84Å; T413-N415 PolarHBondContact O-N 3.1Å; T413-N415 PolarHBondContact OG1-N 3.48Å; T413-D657 WeakPolarHBondContact CB-OD1 3.44Å; T413-D657 PolarHBondContact OG1-OD1 3.16Å; T413-K658 CarbonylContact C-O 3.4Å; T413-K658 VanDerWaalsContact CA-O 3.32Å; T413-K658 WeakPolarHBondContact CA-O 3.44Å; T413-K658 WeakPolarHBondContact CB-O 3.33Å; T413-L659 HydrophobicContact CG2-CD2 4.08Å; T413-Q660 PolarHBondContact O-NE2 3.41Å; T413-V691 HydrophobicContact CG2-CG1 4.07Å |
| 414 | E | 82.3 | Confident | 88.7 | Confident | 25 Ų | 25 | 16.6 Ų | 16.6 | 12% | 0.117 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 0.8 | 174.1 | -61 | -161.8 | 119.6 | 0 | 0 | 112.6 | E416 K658 Q660 R831 | E414-E416 HydrophobicContact CB-CB 4.24Å; E414-E416 PolarHBondContact O-N 3.17Å; E414-K658 PolarHBondContact N-O 2.97Å; E414-K658 WeakPolarHBondContact OE2-CD 3.36Å; E414-K658 WeakPolarHBondContact OE2-CE 3.43Å; E414-K658 IonicContact OE2-NZ 3.85Å; E414-K658 PolarHBondContact OE2-NZ 3.22Å; E414-Q660 HydrophobicContact CG-CB 4.16Å; E414-Q660 HydrophobicContact CG-CG 3.86Å; E414-R831 IonicContact OE1-CZ 3.37Å; E414-R831 VanDerWaalsContact OE1-CZ 3.27Å; E414-R831 IonicContact OE1-NH1 3.65Å; E414-R831 PolarHBondContact OE1-NH1 3.29Å; E414-R831 IonicContact OE1-NH2 3.43Å; E414-R831 PolarHBondContact OE1-NH2 3.12Å |
| 415 | N | 75.6 | Confident | 88.3 | Confident | 43 Ų | 43 | 19.5 Ų | 19.5 | 23% | 0.23 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 49.4 | 35.4 | -167.3 | -163.5 | 20.4 | 0 | 0 | 0 | 112.1 | T409 T413 E817 | T409-N415 HydrophobicContact CG2-CB 4.32Å; T413-N415 PolarHBondContact O-N 3.1Å; T413-N415 PolarHBondContact OG1-N 3.48Å; N415-E817 PolarHBondContact ND2-OE1 3.36Å |
| 416 | E | 81.3 | Confident | 87.7 | Confident | 74 Ų | 74 | 20.1 Ų | 20.1 | 35% | 0.346 | 10% | 0.1 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 107.8 | 176.9 | -169.4 | 178.9 | 137 | 0 | 0 | 108.7 | E414 Q418 K658 | E414-E416 HydrophobicContact CB-CB 4.24Å; E414-E416 PolarHBondContact O-N 3.17Å; E416-Q418 HydrophobicContact CG-CG 4.46Å; E416-Q418 PolarHBondContact OE1-NE2 2.91Å; E416-K658 WeakPolarHBondContact O-CB 3.29Å; E416-K658 PolarHBondContact O-N 2.78Å; E416-K658 VanDerWaalsContact O-N 3.13Å |
| 417 | M | 85.3 | Confident | 87.4 | Confident | 13 Ų | 13 | 24.2 Ų | 24.2 | 6% | 0.064 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 126.4 | 179.9 | -60.7 | -58.2 | 161.5 | 0 | 0 | 109.5 | P504 D505 A508 V655 E656 D657 | M417-P504 HydrophobicContact CB-CB 4.48Å; M417-P504 HydrophobicContact CE-CG 4.22Å; M417-P504 HydrophobicContact CG-CB 3.72Å; M417-P504 HydrophobicContact CG-CG 4.03Å; M417-D505 WeakPolarHBondContact CG-OD1 2.89Å; M417-A508 HydrophobicContact CB-CB 3.66Å; M417-A508 WeakPolarHBondContact O-CB 3.44Å; M417-V655 HydrophobicContact CB-CG1 3.8Å; M417-E656 CarbonylContact C-O 3.59Å; M417-E656 WeakPolarHBondContact CA-O 3.49Å; M417-D657 HydrophobicContact CE-CB 4Å; M417-D657 HydrophobicContact SD-CB 3.69Å |
| 418 | Q | 87.6 | Confident | 87.4 | Confident | 42 Ų | 42 | 24.6 Ų | 24.6 | 20% | 0.196 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 124.9 | 179.3 | -64.2 | -170.3 | -5.2 | 0 | 0 | 110.3 | E416 R420 V655 E656 | E416-Q418 HydrophobicContact CG-CG 4.46Å; E416-Q418 PolarHBondContact OE1-NE2 2.91Å; Q418-R420 PolarHBondContact O-N 3.03Å; Q418-V655 CarbonylContact O-C 3.56Å; Q418-V655 WeakPolarHBondContact O-CA 3.27Å; Q418-E656 PolarHBondContact N-O 3.1Å; Q418-E656 PolarHBondContact O-N 2.87Å |
| 419 | F | 91 | Very high | 87.5 | Confident | 7 Ų | 7 | 25.3 Ų | 25.3 | 3% | 0.031 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 123.7 | 170 | 177.3 | -94.7 | 0 | 0 | 0 | 109.8 | C422 E431 L436 L509 A512 I516 T653 | F419-C422 HydrophobicContact CE2-CB 3.95Å; F419-C422 HydrophobicContact CZ-CB 3.59Å; F419-E431 HydrophobicContact CD1-CB 3.89Å; F419-E431 HydrophobicContact CD1-CG 4.23Å; F419-E431 HydrophobicContact CE1-CB 4.03Å; F419-L436 HydrophobicContact CE1-CD2 3.92Å; F419-L436 HydrophobicContact CZ-CD2 4.37Å; F419-L509 HydrophobicContact CD2-CD2 3.68Å; F419-L509 HydrophobicContact CE2-CD2 4.18Å; F419-A512 HydrophobicContact CB-CB 3.49Å; F419-A512 VanDerWaalsContact CB-CB 3.49Å; F419-A512 HydrophobicContact CD1-CB 3.78Å; F419-A512 HydrophobicContact CG-CB 3.71Å; F419-I516 HydrophobicContact CE1-CD1 4.42Å; F419-T653 HydrophobicContact CE2-CG2 3.92Å |
| 420 | R | 90.2 | Very high | 87.9 | Confident | 85 Ų | 85 | 29.2 Ų | 29.2 | 32% | 0.321 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | -52.6 | -174.7 | -72.6 | -61.8 | -163.4 | -158 | -8.9 | 113.5 | Q418 E431 L600 G654 E656 | Q418-R420 PolarHBondContact O-N 3.03Å; R420-E431 PolarHBondContact O-N 3Å; R420-L600 HydrophobicContact CB-CD2 4.25Å; R420-L600 HydrophobicContact CG-CD2 4.36Å; R420-G654 PolarHBondContact N-O 3.44Å; R420-E656 HydrophobicContact CG-CB 3.72Å; R420-E656 IonicContact CZ-OE2 3.17Å; R420-E656 IonicContact NE-OE2 2.77Å; R420-E656 PolarHBondContact NE-OE2 3.16Å; R420-E656 IonicContact NH2-OE2 2.63Å; R420-E656 PolarHBondContact NH2-OE2 3.16Å |
| 421 | E | 92.4 | Very high | 88.2 | Confident | 13 Ų | 13 | 30.2 Ų | 30.2 | 6% | 0.061 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 154 | -174 | -58.4 | -167.5 | 161.3 | 0 | 0 | 109.6 | Y429 R430 F595 K598 L600 G654 | E421-Y429 CarbonylContact C-O 3.59Å; E421-Y429 VanDerWaalsContact CA-O 3.28Å; E421-Y429 WeakPolarHBondContact CA-O 3.18Å; E421-R430 HydrophobicContact CG-CG 4.4Å; E421-R430 IonicContact OE1-CZ 2.88Å; E421-R430 IonicContact OE1-NE 2.71Å; E421-R430 PolarHBondContact OE1-NE 3.1Å; E421-R430 IonicContact OE1-NH2 3.08Å; E421-R430 PolarHBondContact OE1-NH2 3.22Å; E421-F595 HydrophobicContact CB-CD1 4.11Å; E421-F595 HydrophobicContact CB-CE1 3.54Å; E421-F595 HydrophobicContact CB-CZ 3.93Å; E421-F595 HydrophobicContact CG-CE1 4.43Å; E421-F595 WeakPolarHBondContact OE2-CD1 3.17Å; E421-F595 VanDerWaalsContact OE2-CE1 3.25Å; E421-F595 WeakPolarHBondContact OE2-CE1 3.42Å; E421-K598 IonicContact OE1-NZ 3.35Å; E421-K598 PolarHBondContact OE1-NZ 2.79Å; E421-K598 IonicContact OE2-NZ 3.69Å; E421-K598 PolarHBondContact OE2-NZ 3.01Å; E421-L600 HydrophobicContact CB-CD1 4.08Å; E421-L600 HydrophobicContact CG-CD1 4.11Å; E421-G654 PolarHBondContact N-O 3.18Å; E421-G654 WeakPolarHBondContact O-CA 3.4Å; E421-G654 PolarHBondContact O-N 2.79Å |
| 422 | C | 93.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 154.5 | 168.1 | 61.9 | 0 | 0 | 0 | 0 | 111.1 | F419 K428 Y429 F460 A652 | F419-C422 HydrophobicContact CE2-CB 3.95Å; F419-C422 HydrophobicContact CZ-CB 3.59Å; C422-K428 CarbonylContact O-C 3.57Å; C422-K428 WeakPolarHBondContact O-CA 3.29Å; C422-Y429 PolarHBondContact N-O 3.22Å; C422-Y429 PolarHBondContact O-N 3.41Å; C422-F460 HydrophobicContact CB-CE1 4.22Å; C422-F460 HydrophobicContact CB-CZ 4.21Å; C422-A652 CarbonylContact C-O 3.54Å; C422-A652 WeakPolarHBondContact CA-O 3.41Å; C422-A652 VanDerWaalsContact CB-O 3.26Å; C422-A652 WeakPolarHBondContact CB-O 3.45Å |
| 423 | S | 94.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 118.5 | 170 | 176.5 | 0 | 0 | 0 | 0 | 108 | I427 H591 G651 A652 | S423-I427 CarbonylContact C-O 3.56Å; S423-I427 VanDerWaalsContact CA-O 3.27Å; S423-I427 WeakPolarHBondContact CA-O 3.32Å; S423-H591 WeakPolarHBondContact CB-ND1 3.47Å; S423-H591 PolarHBondContact OG-ND1 3.37Å; S423-G651 CarbonylContact O-C 3.55Å; S423-G651 WeakPolarHBondContact O-CA 3.46Å; S423-A652 PolarHBondContact N-O 3.48Å; S423-A652 PolarHBondContact O-N 2.68Å |
| 424 | I | 93.3 | Very high | 86.7 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.015 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 124 | 178.7 | -53.7 | 175.3 | 0 | 0 | 0 | 107.5 | G426 I427 Y429 L436 E457 F460 | I424-G426 PolarHBondContact O-N 2.85Å; I424-G426 VanDerWaalsContact O-N 3.09Å; I424-I427 PolarHBondContact N-O 2.9Å; I424-I427 PolarHBondContact O-N 2.86Å; I424-Y429 HydrophobicContact CB-CD2 4.2Å; I424-Y429 HydrophobicContact CB-CE2 3.81Å; I424-Y429 HydrophobicContact CD1-CD2 4.16Å; I424-Y429 HydrophobicContact CD1-CE2 4.27Å; I424-Y429 HydrophobicContact CG1-CD2 4.12Å; I424-Y429 HydrophobicContact CG1-CE2 4.2Å; I424-L436 HydrophobicContact CD1-CD1 4.26Å; I424-E457 HydrophobicContact CD1-CB 4.47Å; I424-E457 HydrophobicContact CD1-CG 4.45Å; I424-E457 HydrophobicContact CG2-CG 4.12Å; I424-F460 HydrophobicContact CD1-CB 4.45Å; I424-F460 HydrophobicContact CD1-CD1 3.52Å; I424-F460 HydrophobicContact CD1-CE1 3.92Å; I424-F460 HydrophobicContact CD1-CG 4.11Å; I424-F460 HydrophobicContact CG1-CD1 3.69Å; I424-F460 HydrophobicContact CG1-CD2 4.41Å; I424-F460 HydrophobicContact CG1-CE1 3.87Å; I424-F460 HydrophobicContact CG1-CG 3.97Å; I424-F460 HydrophobicContact CG1-CZ 4.28Å; I424-F460 HydrophobicContact CG2-CB 4.07Å; I424-F460 HydrophobicContact CG2-CG 4.33Å |
| 425 | N | 88.8 | Confident | 86.6 | Confident | 62 Ų | 62 | 49.2 Ų | 49.2 | 33% | 0.332 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 43.7 | 42.3 | -175 | -161.9 | 23.9 | 0 | 0 | 0 | 114.5 | I427 E456 E584 L650 | N425-I427 VanDerWaalsContact C-N 3.31Å; N425-I427 PolarHBondContact O-N 3.3Å; N425-E456 WeakPolarHBondContact CB-OE2 3.45Å; N425-E456 PolarHBondContact ND2-OE2 3.5Å; N425-E584 WeakPolarHBondContact OD1-CG 3.31Å; N425-L650 PolarHBondContact N-O 2.89Å; N425-L650 VanDerWaalsContact N-O 3.15Å |
| 426 | G | 83.9 | Confident | 87 | Confident | 12 Ų | 12 | 48 Ų | 48 | 12% | 0.124 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 9.5 | -180 | 0 | 0 | 0 | 0 | 0 | 115.9 | I424 H591 | I424-G426 PolarHBondContact O-N 2.85Å; I424-G426 VanDerWaalsContact O-N 3.09Å; G426-H591 PolarHBondContact O-CE1 3.43Å; G426-H591 VanDerWaalsContact O-CE1 3.29Å |
| 427 | I | 89.3 | Confident | 87.1 | Confident | 87 Ų | 87 | 46.8 Ų | 46.8 | 45% | 0.446 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 135.4 | 171.9 | -57.6 | 172.3 | 0 | 0 | 0 | 109 | S423 I424 N425 Y429 P438 | S423-I427 CarbonylContact C-O 3.56Å; S423-I427 VanDerWaalsContact CA-O 3.27Å; S423-I427 WeakPolarHBondContact CA-O 3.32Å; I424-I427 PolarHBondContact N-O 2.9Å; I424-I427 PolarHBondContact O-N 2.86Å; N425-I427 VanDerWaalsContact C-N 3.31Å; N425-I427 PolarHBondContact O-N 3.3Å; I427-Y429 HydrophobicContact CB-CE2 3.72Å; I427-Y429 HydrophobicContact CG2-CD2 4.33Å; I427-Y429 HydrophobicContact CG2-CE2 3.62Å; I427-Y429 VanDerWaalsContact O-CD2 3.31Å; I427-Y429 WeakPolarHBondContact O-CD2 3.12Å; I427-Y429 WeakPolarHBondContact O-CE2 3.26Å; I427-P438 HydrophobicContact CG2-CB 4.29Å |
| 428 | K | 91.3 | Very high | 87 | Confident | 17 Ų | 17 | 48 Ų | 48 | 7% | 0.074 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 134.7 | 179.3 | -160.5 | -170.7 | -59.7 | 155.7 | 0 | 111.3 | C422 P438 E439 E594 F595 | C422-K428 CarbonylContact O-C 3.57Å; C422-K428 WeakPolarHBondContact O-CA 3.29Å; K428-P438 WeakPolarHBondContact O-CA 3.22Å; K428-E439 HydrophobicContact CB-CB 4.34Å; K428-E439 WeakPolarHBondContact CD-OE2 3.38Å; K428-E439 VanDerWaalsContact CE-OE2 3.32Å; K428-E439 WeakPolarHBondContact CE-OE2 3.29Å; K428-E439 IonicContact NZ-OE1 2.82Å; K428-E439 IonicContact NZ-OE2 3.01Å; K428-E439 PolarHBondContact NZ-OE2 2.61Å; K428-E439 PolarHBondContact O-N 3.11Å; K428-E594 WeakPolarHBondContact CE-OE2 3.21Å; K428-E594 IonicContact NZ-OE1 3.48Å; K428-E594 PolarHBondContact NZ-OE1 2.64Å; K428-E594 IonicContact NZ-OE2 2.68Å; K428-E594 PolarHBondContact NZ-OE2 3.16Å; K428-F595 HydrophobicContact CD-CE1 3.79Å; K428-F595 HydrophobicContact CD-CZ 4.29Å; K428-F595 HydrophobicContact CG-CE1 3.88Å; K428-F595 HydrophobicContact CG-CZ 3.87Å |
| 429 | Y | 90.7 | Very high | 86.2 | Confident | 17 Ų | 17 | 51.1 Ų | 51.1 | 7% | 0.067 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 148.7 | 177 | -58.7 | -103 | 0 | 0 | 0 | 110.1 | E421 C422 I424 I427 L436 V437 P438 E457 | E421-Y429 CarbonylContact C-O 3.59Å; E421-Y429 VanDerWaalsContact CA-O 3.28Å; E421-Y429 WeakPolarHBondContact CA-O 3.18Å; C422-Y429 PolarHBondContact N-O 3.22Å; C422-Y429 PolarHBondContact O-N 3.41Å; I424-Y429 HydrophobicContact CB-CD2 4.2Å; I424-Y429 HydrophobicContact CB-CE2 3.81Å; I424-Y429 HydrophobicContact CD1-CD2 4.16Å; I424-Y429 HydrophobicContact CD1-CE2 4.27Å; I424-Y429 HydrophobicContact CG1-CD2 4.12Å; I424-Y429 HydrophobicContact CG1-CE2 4.2Å; I427-Y429 HydrophobicContact CB-CE2 3.72Å; I427-Y429 HydrophobicContact CG2-CD2 4.33Å; I427-Y429 HydrophobicContact CG2-CE2 3.62Å; I427-Y429 VanDerWaalsContact O-CD2 3.31Å; I427-Y429 WeakPolarHBondContact O-CD2 3.12Å; I427-Y429 WeakPolarHBondContact O-CE2 3.26Å; Y429-L436 HydrophobicContact CD1-CB 4.1Å; Y429-V437 CarbonylContact C-O 3.52Å; Y429-V437 VanDerWaalsContact CA-O 3.31Å; Y429-V437 WeakPolarHBondContact CA-O 3.19Å; Y429-P438 HydrophobicContact CD1-CB 4.05Å; Y429-P438 HydrophobicContact CE1-CB 3.97Å; Y429-P438 HydrophobicContact CE1-CG 4.45Å; Y429-E457 PolarHBondContact OH-OE1 3.33Å |
| 430 | R | 89.4 | Confident | 84.8 | Confident | 107 Ų | 107 | 54.7 Ų | 54.7 | 40% | 0.404 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 137.9 | 169.3 | -174.2 | 174.5 | -69.2 | 150 | 6.8 | 109.6 | E421 M432 V437 E439 | E421-R430 HydrophobicContact CG-CG 4.4Å; E421-R430 IonicContact OE1-CZ 2.88Å; E421-R430 IonicContact OE1-NE 2.71Å; E421-R430 PolarHBondContact OE1-NE 3.1Å; E421-R430 IonicContact OE1-NH2 3.08Å; E421-R430 PolarHBondContact OE1-NH2 3.22Å; R430-M432 HydrophobicContact CG-CG 4.24Å; R430-V437 PolarHBondContact N-O 3.11Å; R430-V437 PolarHBondContact O-N 3.44Å; R430-E439 IonicContact NH2-OE1 2.74Å |
| 431 | E | 86.1 | Confident | 83.3 | Confident | 26 Ų | 26 | 57.7 Ų | 57.7 | 12% | 0.121 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 120.7 | 170.9 | -166.2 | -110.1 | -153.8 | 0 | 0 | 109.3 | F419 R420 K435 R515 | F419-E431 HydrophobicContact CD1-CB 3.89Å; F419-E431 HydrophobicContact CD1-CG 4.23Å; F419-E431 HydrophobicContact CE1-CB 4.03Å; R420-E431 PolarHBondContact O-N 3Å; E431-K435 WeakPolarHBondContact CA-O 3.44Å; E431-R515 IonicContact OE1-CZ 2.66Å; E431-R515 IonicContact OE1-NE 2.66Å; E431-R515 PolarHBondContact OE1-NE 3.21Å; E431-R515 IonicContact OE1-NH2 2.62Å; E431-R515 PolarHBondContact OE1-NH2 3.21Å; E431-R515 VanDerWaalsContact OE1-NH2 3.08Å |
| 432 | M | 82.3 | Confident | 81 | Confident | 109 Ų | 109 | 63.2 Ų | 63.2 | 54% | 0.537 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 120.4 | 172.7 | -64.5 | -139 | -60.4 | 0 | 0 | 109.6 | R430 G434 K435 | R430-M432 HydrophobicContact CG-CG 4.24Å; M432-G434 VanDerWaalsContact C-N 3.26Å; M432-G434 PolarHBondContact O-N 2.75Å; M432-K435 PolarHBondContact N-O 3.29Å; M432-K435 PolarHBondContact O-N 3.46Å |
| 433 | N | 77.5 | Confident | 78.8 | Confident | 170 Ų | 170 | 67.1 Ų | 67.1 | 91% | 0.909 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 41.9 | 178 | -62.4 | -27.6 | 0 | 0 | 0 | 113.8 | K435 | N433-K435 VanDerWaalsContact C-N 3.34Å; N433-K435 PolarHBondContact O-N 2.79Å |
| 434 | G | 74.4 | Confident | 76.2 | Confident | 15 Ų | 15 | 74.2 Ų | 74.2 | 16% | 0.155 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 16 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115 | M432 I516 | M432-G434 VanDerWaalsContact C-N 3.26Å; M432-G434 PolarHBondContact O-N 2.75Å; G434-I516 WeakPolarHBondContact O-CA 3.23Å |
| 435 | K | 81.1 | Confident | 73.6 | Confident | 132 Ų | 132 | 79 Ų | 79 | 57% | 0.574 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 145.5 | 172.2 | -65.7 | -178.2 | -179.5 | 176.8 | 0 | 110.8 | E431 M432 N433 | E431-K435 WeakPolarHBondContact CA-O 3.44Å; M432-K435 PolarHBondContact N-O 3.29Å; M432-K435 PolarHBondContact O-N 3.46Å; N433-K435 VanDerWaalsContact C-N 3.34Å; N433-K435 PolarHBondContact O-N 2.79Å |
| 436 | L | 83.2 | Confident | 71.5 | Confident | 17 Ų | 17 | 82.5 Ų | 82.5 | 9% | 0.089 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 121.4 | 169 | -71.1 | 174.3 | 0 | 0 | 0 | 109.2 | F419 I424 Y429 L461 I516 | F419-L436 HydrophobicContact CE1-CD2 3.92Å; F419-L436 HydrophobicContact CZ-CD2 4.37Å; I424-L436 HydrophobicContact CD1-CD1 4.26Å; Y429-L436 HydrophobicContact CD1-CB 4.1Å; L436-L461 HydrophobicContact CD1-CD1 4.3Å; L436-L461 HydrophobicContact CD1-CD2 4.17Å; L436-I516 HydrophobicContact CD1-CD1 4.1Å; L436-I516 HydrophobicContact CD1-CG2 4.31Å; L436-I516 HydrophobicContact CD2-CD1 4.01Å; L436-I516 HydrophobicContact CG-CD1 3.81Å; L436-I516 HydrophobicContact CG-CG1 4.3Å; L436-I516 HydrophobicContact CG-CG2 4.34Å |
| 437 | V | 84 | Confident | 69.6 | Low | 49 Ų | 49 | 85.6 Ų | 85.6 | 30% | 0.297 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 123.5 | 177.5 | -174.5 | 0 | 0 | 0 | 0 | 108.7 | Y429 R430 | Y429-V437 CarbonylContact C-O 3.52Å; Y429-V437 VanDerWaalsContact CA-O 3.31Å; Y429-V437 WeakPolarHBondContact CA-O 3.19Å; R430-V437 PolarHBondContact N-O 3.11Å; R430-V437 PolarHBondContact O-N 3.44Å |
| 438 | P | 83.3 | Confident | 67.2 | Low | 39 Ų | 39 | 84.7 Ų | 84.7 | 25% | 0.253 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 142 | 176.7 | 26.6 | -32 | 0 | 0 | 0 | 111.4 | I427 K428 Y429 G440 M441 | I427-P438 HydrophobicContact CG2-CB 4.29Å; K428-P438 WeakPolarHBondContact O-CA 3.22Å; Y429-P438 HydrophobicContact CD1-CB 4.05Å; Y429-P438 HydrophobicContact CE1-CB 3.97Å; Y429-P438 HydrophobicContact CE1-CG 4.45Å; P438-G440 PolarHBondContact O-N 2.71Å; P438-M441 HydrophobicContact CG-SD 4.28Å |
| 439 | E | 70.4 | Confident | 64.7 | Low | 107 Ų | 107 | 89.5 Ų | 89.5 | 50% | 0.5 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69 | 112.8 | 179.2 | -164.7 | 173.4 | -131.8 | 0 | 0 | 110 | K428 R430 | K428-E439 HydrophobicContact CB-CB 4.34Å; K428-E439 WeakPolarHBondContact CD-OE2 3.38Å; K428-E439 VanDerWaalsContact CE-OE2 3.32Å; K428-E439 WeakPolarHBondContact CE-OE2 3.29Å; K428-E439 IonicContact NZ-OE1 2.82Å; K428-E439 IonicContact NZ-OE2 3.01Å; K428-E439 PolarHBondContact NZ-OE2 2.61Å; K428-E439 PolarHBondContact O-N 3.11Å; R430-E439 IonicContact NH2-OE1 2.74Å |
| 440 | G | 62.6 | Low | 62.6 | Low | 81 Ų | 81 | 92.9 Ų | 92.9 | 84% | 0.835 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 129.9 | -9.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | P438 | P438-G440 PolarHBondContact O-N 2.71Š|
| 441 | M | 57.3 | Low | 60.7 | Low | 149 Ų | 149 | 92.6 Ų | 92.6 | 73% | 0.734 | 60% | 0.602 | S | S | * | * | trans | -100.3 | 113.9 | 170.9 | -64.7 | -172.4 | 96.1 | 0 | 0 | 110.2 | P438 | P438-M441 HydrophobicContact CG-SD 4.28Š| ||
| 442 | T | 43.9 | Very low | 59.4 | Low | 128 Ų | 128 | 99.9 Ų | 99.9 | 79% | 0.785 | 64% | 0.636 | S | S | * | * | trans | -70.5 | 134.4 | 173.4 | 39.1 | 0 | 0 | 0 | 0 | 110.3 | D444 | T442-D444 PolarHBondContact O-N 3.02Š| ||
| 443 | G | 47.4 | Very low | 58.7 | Low | 82 Ų | 82 | 97.3 Ų | 97.3 | 85% | 0.845 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -69.6 | 19.2 | -172 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 444 | D | 39.8 | Very low | 58.4 | Low | 149 Ų | 149 | 95.7 Ų | 95.7 | 80% | 0.797 | 61% | 0.612 | S | S | * | * | trans | -102.2 | 79.3 | 177.9 | -76.9 | -19.6 | 0 | 0 | 0 | 110.2 | T442 | T442-D444 PolarHBondContact O-N 3.02Š| ||
| 445 | S | 38.6 | Very low | 58.7 | Low | 103 Ų | 103 | 100 Ų | 100 | 72% | 0.72 | 64% | 0.64 | S | S | * | * | trans | -140.9 | 97.5 | 159.2 | -70.8 | 0 | 0 | 0 | 0 | 108.2 | G447 | S445-G447 PolarHBondContact O-N 3.25Å; S445-G447 VanDerWaalsContact O-N 3.1Å | ||
| 446 | P | 46.1 | Very low | 58.7 | Low | 137 Ų | 137 | 98.5 Ų | 98.5 | 89% | 0.89 | 64% | 0.635 | S | S | * | * | trans | -77.9 | 97.7 | 178.3 | 29.7 | -28.8 | 0 | 0 | 0 | 109 | ||||
| 447 | G | 43 | Very low | 59 | Low | 76 Ų | 76 | 99 Ų | 99 | 78% | 0.784 | 64% | 0.637 | S | S | * | * | S | Bend | trans | 109.2 | 116.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S445 | S445-G447 PolarHBondContact O-N 3.25Å; S445-G447 VanDerWaalsContact O-N 3.1Å |
| 448 | G | 39.5 | Very low | 59.2 | Low | 69 Ų | 69 | 98.7 Ų | 98.7 | 71% | 0.711 | 63% | 0.633 | S | S | * | * | S | Bend | trans | 131.3 | 105.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 449 | S | 38.1 | Very low | 59.6 | Low | 118 Ų | 118 | 99.2 Ų | 99.2 | 83% | 0.825 | 63% | 0.634 | S | S | * | * | trans | 58.1 | 114.9 | 165.9 | 44.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 450 | S | 46 | Very low | 60.7 | Low | 87 Ų | 87 | 94.1 Ų | 94.1 | 61% | 0.608 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 134.3 | 158.9 | 49.7 | 0 | 0 | 0 | 0 | 109.9 | Q452 | S450-Q452 PolarHBondContact O-N 3.49Š|
| 451 | P | 50.9 | Low | 62.1 | Low | 102 Ų | 102 | 90.4 Ų | 90.4 | 66% | 0.662 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 116.1 | 172.6 | 21.8 | -29.9 | 0 | 0 | 0 | 108.1 | L453 | P451-L453 PolarHBondContact O-N 2.93Š|
| 452 | Q | 58.1 | Low | 63.8 | Low | 179 Ų | 179 | 84.2 Ų | 84.2 | 84% | 0.836 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 116.4 | 170.8 | -84 | 178 | -21.5 | 0 | 0 | 106.7 | S450 M454 | S450-Q452 PolarHBondContact O-N 3.49Å; Q452-M454 PolarHBondContact O-N 3.46Å |
| 453 | L | 66.6 | Low | 66.2 | Low | 54 Ų | 54 | 78.1 Ų | 78.1 | 28% | 0.283 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 123.8 | 174 | -77.8 | 141 | 0 | 0 | 0 | 109.1 | P451 E457 L461 F533 | P451-L453 PolarHBondContact O-N 2.93Å; L453-E457 VanDerWaalsContact CA-OE2 3.29Å; L453-E457 WeakPolarHBondContact CA-OE2 3.16Å; L453-E457 HydrophobicContact CD2-CB 3.67Å; L453-L461 HydrophobicContact CD1-CD1 4.43Å; L453-L461 HydrophobicContact CD2-CD1 4.04Å; L453-F533 HydrophobicContact CD1-CE1 4.45Å; L453-F533 HydrophobicContact CD1-CE2 3.75Å; L453-F533 HydrophobicContact CD1-CZ 3.34Å |
| 454 | M | 72.4 | Confident | 68.3 | Low | 136 Ų | 136 | 74.6 Ų | 74.6 | 67% | 0.67 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 160.8 | 172.5 | -66.7 | -68.7 | -147.6 | 0 | 0 | 110.8 | Q452 E456 E457 L458 | Q452-M454 PolarHBondContact O-N 3.46Å; M454-E456 PolarHBondContact O-N 3.48Å; M454-E456 VanDerWaalsContact O-N 3.15Å; M454-E457 HydrophobicContact CB-CG 4.46Å; M454-E457 WeakPolarHBondContact CB-OE2 3.23Å; M454-E457 PolarHBondContact N-OE2 3.06Å; M454-E457 PolarHBondContact O-N 3.09Å; M454-L458 PolarHBondContact O-N 2.91Å; M454-L458 VanDerWaalsContact O-N 3.11Å |
| 455 | S | 79.7 | Confident | 70.8 | Confident | 105 Ų | 105 | 67.5 Ų | 67.5 | 73% | 0.734 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -56.9 | -32.7 | -176.9 | -172.1 | 0 | 0 | 0 | 0 | 113.8 | L459 | S455-L459 WeakPolarHBondContact O-CB 3.41Å; S455-L459 PolarHBondContact O-N 3.37Å; S455-L459 VanDerWaalsContact O-N 3.11Å |
| 456 | E | 82.4 | Confident | 73.4 | Confident | 101 Ų | 101 | 62.6 Ų | 62.6 | 47% | 0.472 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -77.5 | -38.2 | -178.3 | -66.6 | -179 | 165.6 | 0 | 0 | 112.7 | N425 M454 L458 L459 F460 | N425-E456 WeakPolarHBondContact CB-OE2 3.45Å; N425-E456 PolarHBondContact ND2-OE2 3.5Å; M454-E456 PolarHBondContact O-N 3.48Å; M454-E456 VanDerWaalsContact O-N 3.15Å; E456-L458 VanDerWaalsContact C-N 3.33Å; E456-L459 PolarHBondContact O-N 3.44Å; E456-F460 PolarHBondContact O-N 2.78Å |
| 457 | E | 88.1 | Confident | 75.7 | Confident | 28 Ų | 28 | 56.1 Ų | 56.1 | 13% | 0.131 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 175.7 | -61.1 | 155.5 | 164.9 | 0 | 0 | 110.3 | I424 Y429 L453 M454 F460 L461 | I424-E457 HydrophobicContact CD1-CB 4.47Å; I424-E457 HydrophobicContact CD1-CG 4.45Å; I424-E457 HydrophobicContact CG2-CG 4.12Å; Y429-E457 PolarHBondContact OH-OE1 3.33Å; L453-E457 VanDerWaalsContact CA-OE2 3.29Å; L453-E457 WeakPolarHBondContact CA-OE2 3.16Å; L453-E457 HydrophobicContact CD2-CB 3.67Å; M454-E457 HydrophobicContact CB-CG 4.46Å; M454-E457 WeakPolarHBondContact CB-OE2 3.23Å; M454-E457 PolarHBondContact N-OE2 3.06Å; M454-E457 PolarHBondContact O-N 3.09Å; E457-F460 PolarHBondContact O-N 3.33Å; E457-L461 WeakPolarHBondContact O-CG 3.1Å; E457-L461 PolarHBondContact O-N 2.82Å |
| 458 | L | 89.1 | Confident | 77.9 | Confident | 42 Ų | 42 | 52.9 Ų | 52.9 | 22% | 0.22 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.2 | -41 | 174.2 | -173 | 66.2 | 0 | 0 | 0 | 111.7 | M454 E456 L461 K462 V518 T532 F533 | M454-L458 PolarHBondContact O-N 2.91Å; M454-L458 VanDerWaalsContact O-N 3.11Å; E456-L458 VanDerWaalsContact C-N 3.33Å; L458-L461 PolarHBondContact O-N 2.84Å; L458-K462 HydrophobicContact CG-CD 4.35Å; L458-K462 WeakPolarHBondContact O-CB 3.35Å; L458-K462 VanDerWaalsContact O-CG 3.26Å; L458-K462 WeakPolarHBondContact O-CG 3.5Å; L458-K462 PolarHBondContact O-N 3.16Å; L458-V518 HydrophobicContact CD1-CG2 3.93Å; L458-T532 HydrophobicContact CD1-CG2 3.65Å; L458-T532 HydrophobicContact CD2-CG2 4.4Å; L458-F533 HydrophobicContact CD1-CE2 4.33Å |
| 459 | L | 91.3 | Very high | 80.2 | Confident | 50 Ų | 50 | 52.5 Ų | 52.5 | 26% | 0.262 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.2 | -41 | 177.2 | -176.9 | 62.6 | 0 | 0 | 0 | 111.8 | S455 E456 K462 A463 M566 F568 L650 | S455-L459 WeakPolarHBondContact O-CB 3.41Å; S455-L459 PolarHBondContact O-N 3.37Å; S455-L459 VanDerWaalsContact O-N 3.11Å; E456-L459 PolarHBondContact O-N 3.44Å; L459-K462 PolarHBondContact O-N 2.91Å; L459-A463 WeakPolarHBondContact O-CB 3.37Å; L459-A463 PolarHBondContact O-N 3.45Å; L459-M566 HydrophobicContact CD1-CE 4.16Å; L459-F568 HydrophobicContact CD1-CE1 4.2Å; L459-F568 HydrophobicContact CD1-CZ 4.16Å; L459-L650 HydrophobicContact CD2-CD2 3.77Å; L459-L650 HydrophobicContact CG-CD1 4.34Å; L459-L650 HydrophobicContact CG-CD2 4.15Å |
| 460 | F | 93.9 | Very high | 82.5 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.1 | -49.2 | 174.2 | 175.4 | -95.7 | 0 | 0 | 0 | 112 | C422 I424 E456 E457 K462 A463 V464 V605 L650 T653 | C422-F460 HydrophobicContact CB-CE1 4.22Å; C422-F460 HydrophobicContact CB-CZ 4.21Å; I424-F460 HydrophobicContact CD1-CB 4.45Å; I424-F460 HydrophobicContact CD1-CD1 3.52Å; I424-F460 HydrophobicContact CD1-CE1 3.92Å; I424-F460 HydrophobicContact CD1-CG 4.11Å; I424-F460 HydrophobicContact CG1-CD1 3.69Å; I424-F460 HydrophobicContact CG1-CD2 4.41Å; I424-F460 HydrophobicContact CG1-CE1 3.87Å; I424-F460 HydrophobicContact CG1-CG 3.97Å; I424-F460 HydrophobicContact CG1-CZ 4.28Å; I424-F460 HydrophobicContact CG2-CB 4.07Å; I424-F460 HydrophobicContact CG2-CG 4.33Å; E456-F460 PolarHBondContact O-N 2.78Å; E457-F460 PolarHBondContact O-N 3.33Å; F460-K462 VanDerWaalsContact C-N 3.31Å; F460-K462 PolarHBondContact O-N 2.58Å; F460-A463 WeakPolarHBondContact O-CB 3.5Å; F460-A463 PolarHBondContact O-N 3.24Å; F460-V464 HydrophobicContact CD1-CG2 4.47Å; F460-V464 HydrophobicContact CE1-CG2 4.17Å; F460-V464 HydrophobicContact CZ-CG2 4.21Å; F460-V464 WeakPolarHBondContact O-CG2 3.33Å; F460-V464 PolarHBondContact O-N 2.99Å; F460-V605 HydrophobicContact CD2-CB 4.26Å; F460-V605 HydrophobicContact CE2-CB 3.9Å; F460-V605 HydrophobicContact CE2-CG2 3.96Å; F460-L650 HydrophobicContact CD2-CB 3.97Å; F460-T653 HydrophobicContact CE1-CG2 4.28Å; F460-T653 HydrophobicContact CE2-CG2 4.41Å; F460-T653 HydrophobicContact CZ-CG2 3.55Å |
| 461 | L | 92.4 | Very high | 84.2 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.7 | -40 | 177.5 | -69.7 | 172.4 | 0 | 0 | 0 | 111.8 | L436 L453 E457 L458 V464 S465 T513 I516 V518 | L436-L461 HydrophobicContact CD1-CD1 4.3Å; L436-L461 HydrophobicContact CD1-CD2 4.17Å; L453-L461 HydrophobicContact CD1-CD1 4.43Å; L453-L461 HydrophobicContact CD2-CD1 4.04Å; E457-L461 WeakPolarHBondContact O-CG 3.1Å; E457-L461 PolarHBondContact O-N 2.82Å; L458-L461 PolarHBondContact O-N 2.84Å; L461-V464 PolarHBondContact O-N 2.76Å; L461-S465 WeakPolarHBondContact O-CB 3.34Å; L461-S465 PolarHBondContact O-N 2.74Å; L461-S465 PolarHBondContact O-OG 3.41Å; L461-T513 HydrophobicContact CD2-CG2 4.03Å; L461-I516 HydrophobicContact CD1-CG2 3.69Å; L461-I516 HydrophobicContact CD2-CD1 3.96Å; L461-I516 HydrophobicContact CD2-CG2 4.44Å; L461-V518 HydrophobicContact CB-CB 4.34Å; L461-V518 HydrophobicContact CB-CG2 3.98Å; L461-V518 HydrophobicContact CD1-CG2 4.2Å |
| 462 | K | 92.6 | Very high | 85.7 | Confident | 20 Ų | 20 | 43.6 Ų | 43.6 | 9% | 0.087 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.3 | -45.9 | 173.5 | -75.3 | -178.3 | 178.3 | -167.6 | 0 | 111.5 | L458 L459 F460 V464 S465 L466 V518 I530 E537 | L458-K462 HydrophobicContact CG-CD 4.35Å; L458-K462 WeakPolarHBondContact O-CB 3.35Å; L458-K462 VanDerWaalsContact O-CG 3.26Å; L458-K462 WeakPolarHBondContact O-CG 3.5Å; L458-K462 PolarHBondContact O-N 3.16Å; L459-K462 PolarHBondContact O-N 2.91Å; F460-K462 VanDerWaalsContact C-N 3.31Å; F460-K462 PolarHBondContact O-N 2.58Å; K462-V464 VanDerWaalsContact C-N 3.34Å; K462-V464 PolarHBondContact O-N 3.08Å; K462-S465 WeakPolarHBondContact CA-OG 3.43Å; K462-S465 CarbonylContact O-C 3.52Å; K462-S465 PolarHBondContact O-N 3.07Å; K462-S465 PolarHBondContact O-OG 3.43Å; K462-L466 HydrophobicContact CB-CD1 4.45Å; K462-L466 WeakPolarHBondContact O-CB 3.37Å; K462-L466 WeakPolarHBondContact O-CG 3.42Å; K462-L466 PolarHBondContact O-N 2.8Å; K462-V518 HydrophobicContact CG-CG1 4.26Å; K462-I530 HydrophobicContact CD-CD1 4.12Å; K462-I530 HydrophobicContact CG-CD1 3.9Å; K462-E537 IonicContact NZ-OE1 2.71Å; K462-E537 PolarHBondContact NZ-OE1 3.49Å; K462-E537 IonicContact NZ-OE2 3.83Å; K462-E537 PolarHBondContact NZ-OE2 2.83Å |
| 463 | A | 93.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.3 | -45.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | L459 F460 L466 C467 F568 V605 L650 | L459-A463 WeakPolarHBondContact O-CB 3.37Å; L459-A463 PolarHBondContact O-N 3.45Å; F460-A463 WeakPolarHBondContact O-CB 3.5Å; F460-A463 PolarHBondContact O-N 3.24Å; A463-L466 PolarHBondContact O-N 2.98Å; A463-C467 WeakPolarHBondContact O-CB 3.21Å; A463-C467 PolarHBondContact O-N 3.5Å; A463-F568 HydrophobicContact CB-CD1 3.3Å; A463-F568 HydrophobicContact CB-CE1 3.42Å; A463-F568 VanDerWaalsContact CB-CE1 3.42Å; A463-F568 HydrophobicContact CB-CG 3.9Å; A463-F568 HydrophobicContact CB-CZ 4.08Å; A463-V605 HydrophobicContact CB-CG1 3.77Å; A463-L650 HydrophobicContact CB-CD1 3.77Å |
| 464 | V | 92.8 | Very high | 86.3 | Confident | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.042 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.7 | -41.5 | 176.9 | 175.4 | 0 | 0 | 0 | 0 | 111.4 | F460 L461 K462 L466 L509 T513 V605 T653 | F460-V464 HydrophobicContact CD1-CG2 4.47Å; F460-V464 HydrophobicContact CE1-CG2 4.17Å; F460-V464 HydrophobicContact CZ-CG2 4.21Å; F460-V464 WeakPolarHBondContact O-CG2 3.33Å; F460-V464 PolarHBondContact O-N 2.99Å; L461-V464 PolarHBondContact O-N 2.76Å; K462-V464 VanDerWaalsContact C-N 3.34Å; K462-V464 PolarHBondContact O-N 3.08Å; V464-L466 VanDerWaalsContact C-N 3.34Å; V464-L466 PolarHBondContact O-N 3.47Å; V464-L509 HydrophobicContact CG1-CB 3.66Å; V464-L509 HydrophobicContact CG1-CD1 4.37Å; V464-L509 HydrophobicContact CG1-CD2 4.06Å; V464-L509 HydrophobicContact CG1-CG 4.24Å; V464-T513 HydrophobicContact CB-CG2 3.93Å; V464-T513 HydrophobicContact CG1-CG2 3.66Å; V464-V605 HydrophobicContact CG2-CG2 4.1Å; V464-T653 HydrophobicContact CG2-CG2 4.33Å |
| 465 | S | 92.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -76.3 | -12.4 | -179.5 | 74 | 0 | 0 | 0 | 0 | 115.4 | L461 K462 H468 | L461-S465 WeakPolarHBondContact O-CB 3.34Å; L461-S465 PolarHBondContact O-N 2.74Å; L461-S465 PolarHBondContact O-OG 3.41Å; K462-S465 WeakPolarHBondContact CA-OG 3.43Å; K462-S465 CarbonylContact O-C 3.52Å; K462-S465 PolarHBondContact O-N 3.07Å; K462-S465 PolarHBondContact O-OG 3.43Å; S465-H468 PolarHBondContact O-CD2 2.93Å; S465-H468 PolarHBondContact O-NE2 3.47Å |
| 466 | L | 92.6 | Very high | 83.6 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -113.9 | -31.2 | -176.6 | -73.9 | 167.3 | 0 | 0 | 0 | 112.7 | K462 A463 V464 H468 M528 I530 Y539 L558 F568 | K462-L466 HydrophobicContact CB-CD1 4.45Å; K462-L466 WeakPolarHBondContact O-CB 3.37Å; K462-L466 WeakPolarHBondContact O-CG 3.42Å; K462-L466 PolarHBondContact O-N 2.8Å; A463-L466 PolarHBondContact O-N 2.98Å; V464-L466 VanDerWaalsContact C-N 3.34Å; V464-L466 PolarHBondContact O-N 3.47Å; L466-H468 VanDerWaalsContact C-N 3.33Å; L466-H468 PolarHBondContact O-N 2.98Å; L466-M528 HydrophobicContact CD2-CB 4.13Å; L466-M528 HydrophobicContact CD2-CE 4.29Å; L466-M528 HydrophobicContact CD2-SD 4.4Å; L466-M528 WeakPolarHBondContact O-CE 3.43Å; L466-I530 HydrophobicContact CD1-CD1 4.32Å; L466-I530 HydrophobicContact CD2-CG2 3.5Å; L466-I530 HydrophobicContact CG-CG2 4.03Å; L466-Y539 HydrophobicContact CD1-CD1 4.03Å; L466-Y539 HydrophobicContact CD1-CD2 4.06Å; L466-Y539 HydrophobicContact CD1-CE1 3.97Å; L466-Y539 HydrophobicContact CD1-CE2 4.05Å; L466-Y539 HydrophobicContact CD1-CG 4.05Å; L466-Y539 HydrophobicContact CD2-CD2 4.23Å; L466-Y539 HydrophobicContact CD2-CG 4.25Å; L466-L558 HydrophobicContact CB-CD1 3.78Å; L466-L558 HydrophobicContact CD1-CD1 3.89Å; L466-L558 HydrophobicContact CD2-CD1 4.32Å; L466-L558 HydrophobicContact CG-CD1 4.23Å; L466-F568 HydrophobicContact CB-CD2 4.36Å; L466-F568 HydrophobicContact CB-CE2 4.46Å; L466-F568 HydrophobicContact CD1-CE2 3.93Å |
| 467 | C | 93.3 | Very high | 81.4 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.007 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -84.9 | 71.5 | -179.1 | -173.3 | 0 | 0 | 0 | 0 | 110.7 | A463 V556 F568 K570 | A463-C467 WeakPolarHBondContact O-CB 3.21Å; A463-C467 PolarHBondContact O-N 3.5Å; C467-V556 HydrophobicContact CB-CG2 4.37Å; C467-F568 HydrophobicContact CB-CB 3.79Å; C467-K570 VanDerWaalsContact O-CD 3.27Å; C467-K570 WeakPolarHBondContact O-CD 3.24Å; C467-K570 WeakPolarHBondContact O-CE 3.31Å; C467-K570 PolarHBondContact O-NZ 3.2Å |
| 468 | H | 90.9 | Very high | 78.9 | Confident | 9 Ų | 9 | 47.9 Ų | 47.9 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -157.4 | 172.2 | -179.5 | 66.8 | 59.5 | 0 | 0 | 0 | 113.2 | S465 L466 V470 V510 F520 | S465-H468 PolarHBondContact O-CD2 2.93Å; S465-H468 PolarHBondContact O-NE2 3.47Å; L466-H468 VanDerWaalsContact C-N 3.33Å; L466-H468 PolarHBondContact O-N 2.98Å; H468-V470 HydrophobicContact CB-CG2 4Å; H468-V470 WeakPolarHBondContact ND1-CB 3.34Å; H468-V470 PolarHBondContact ND1-N 2.87Å; H468-V510 HydrophobicContact CB-CG2 4.42Å; H468-V510 WeakPolarHBondContact CD2-CG2 3.36Å; H468-F520 AromaticContact CE1-CD1 3.56Å; H468-F520 AromaticContact CE1-CE1 3.51Å; H468-F520 AromaticContact CE1-CG 3.87Å; H468-F520 AromaticContact CE1-CZ 3.77Å; H468-F520 AromaticContact NE2-CD1 3.65Å; H468-F520 AromaticContact NE2-CD2 3.93Å; H468-F520 AromaticContact NE2-CG 3.58Å |
| 469 | T | 86.8 | Confident | 76 | Confident | 60 Ų | 60 | 51.3 Ų | 51.3 | 37% | 0.368 | 27% | 0.271 | S | S | . | . | trans | -112 | 15.3 | 169.5 | 54.3 | 0 | 0 | 0 | 0 | 113.5 | Q471 E506 V544 M554 | T469-Q471 PolarHBondContact O-N 2.82Å; T469-E506 PolarHBondContact N-OE2 3.38Å; T469-E506 PolarHBondContact OG1-OE2 2.93Å; T469-V544 HydrophobicContact CG2-CG1 4.41Å; T469-M554 HydrophobicContact CG2-CE 3.53Å | ||
| 470 | V | 86.4 | Confident | 73.3 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 4% | 0.036 | 30% | 0.298 | C | S | . | . | trans | -55.4 | 132.3 | 175.7 | -175.7 | 0 | 0 | 0 | 0 | 111.6 | H468 Y499 Y500 A501 E506 V510 | H468-V470 HydrophobicContact CB-CG2 4Å; H468-V470 WeakPolarHBondContact ND1-CB 3.34Å; H468-V470 PolarHBondContact ND1-N 2.87Å; V470-Y499 HydrophobicContact CG1-CD1 3.65Å; V470-Y499 HydrophobicContact CG1-CG 4.01Å; V470-Y500 CarbonylContact C-O 3.57Å; V470-Y500 WeakPolarHBondContact CA-O 3.48Å; V470-Y500 WeakPolarHBondContact CG1-O 3.47Å; V470-A501 HydrophobicContact CG2-CB 3.8Å; V470-E506 HydrophobicContact CG2-CB 4.06Å; V470-V510 HydrophobicContact CB-CG2 4.4Å; V470-V510 HydrophobicContact CG2-CB 4.39Å; V470-V510 HydrophobicContact CG2-CG2 3.78Å | ||
| 471 | Q | 81.8 | Confident | 70.4 | Confident | 87 Ų | 87 | 67.6 Ų | 67.6 | 41% | 0.407 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 154.8 | 173.5 | -62.6 | -175.3 | -1.9 | 0 | 0 | 110.3 | T469 Y500 | T469-Q471 PolarHBondContact O-N 2.82Å; Q471-Y500 PolarHBondContact N-O 3.28Å; Q471-Y500 PolarHBondContact O-N 3.41Å |
| 472 | I | 82.4 | Confident | 67.7 | Low | 28 Ų | 28 | 71.4 Ų | 71.4 | 14% | 0.144 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 129.5 | 178.4 | -53.9 | -176.6 | 0 | 0 | 0 | 108.7 | Y474 M497 Y499 F520 G522 | I472-Y474 HydrophobicContact CG2-CD1 4.39Å; I472-Y474 HydrophobicContact CG2-CE1 4.07Å; I472-Y474 HydrophobicContact CG2-CE2 4.28Å; I472-M497 HydrophobicContact CG2-CB 4.03Å; I472-M497 HydrophobicContact CG2-CG 4.28Å; I472-M497 HydrophobicContact CG2-SD 4.49Å; I472-Y499 HydrophobicContact CD1-CD1 4.36Å; I472-Y499 HydrophobicContact CD1-CE1 3.73Å; I472-Y499 HydrophobicContact CG1-CD1 3.81Å; I472-Y499 HydrophobicContact CG1-CE1 3.7Å; I472-F520 HydrophobicContact CD1-CD1 3.8Å; I472-F520 HydrophobicContact CD1-CE1 3.92Å; I472-F520 WeakPolarHBondContact CD1-O 3.45Å; I472-F520 HydrophobicContact CG1-CD1 4.07Å; I472-F520 HydrophobicContact CG1-CE1 3.95Å; I472-G522 VanDerWaalsContact CD1-N 3.26Å |
| 473 | S | 68.9 | Low | 64.7 | Low | 18 Ų | 18 | 74.2 Ų | 74.2 | 13% | 0.126 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 127.4 | 161.7 | -173.7 | 0 | 0 | 0 | 0 | 108.7 | E498 Y500 | S473-E498 PolarHBondContact N-O 3.38Å; S473-E498 PolarHBondContact O-N 3.29Å; S473-Y500 VanDerWaalsContact CB-CE2 3.46Å |
| 474 | Y | 68.8 | Low | 61.6 | Low | 125 Ų | 125 | 81.5 Ų | 81.5 | 49% | 0.49 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 109.2 | 167.6 | -60.4 | -78.8 | 0 | 0 | 0 | 107.6 | I472 Q476 M497 T521 | I472-Y474 HydrophobicContact CG2-CD1 4.39Å; I472-Y474 HydrophobicContact CG2-CE1 4.07Å; I472-Y474 HydrophobicContact CG2-CE2 4.28Å; Y474-Q476 PolarHBondContact O-N 2.71Å; Y474-M497 HydrophobicContact CD1-CE 4.49Å; Y474-M497 HydrophobicContact CD1-CG 4.09Å; Y474-M497 HydrophobicContact CE1-CE 3.81Å; Y474-M497 HydrophobicContact CE1-CG 3.98Å; Y474-M497 HydrophobicContact CE1-SD 3.94Å; Y474-T521 PolarHBondContact OH-O 2.74Å |
| 475 | N | 52.7 | Low | 58.9 | Low | 89 Ų | 89 | 86.1 Ų | 86.1 | 48% | 0.476 | 49% | 0.485 | S | S | . | . | trans | -69.6 | 102.4 | 164.8 | -89.2 | -14 | 0 | 0 | 0 | 107.5 | S477 | N475-S477 PolarHBondContact O-N 2.63Š| ||
| 476 | Q | 41.8 | Very low | 56.2 | Low | 183 Ų | 183 | 95.4 Ų | 95.4 | 86% | 0.855 | 53% | 0.525 | S | S | * | . | trans | -63.7 | 95 | 157.9 | -75.1 | -178.4 | 5.5 | 0 | 0 | 106.1 | Y474 E478 | Y474-Q476 PolarHBondContact O-N 2.71Å; Q476-E478 PolarHBondContact O-N 2.74Å; Q476-E478 VanDerWaalsContact O-N 3.11Å | ||
| 477 | S | 37.2 | Very low | 53.2 | Low | 104 Ų | 104 | 100.3 Ų | 100.3 | 73% | 0.727 | 56% | 0.56 | S | S | * | * | trans | -63.6 | 110.7 | 159.2 | 13.3 | 0 | 0 | 0 | 0 | 105.1 | N475 S479 | N475-S477 PolarHBondContact O-N 2.63Å; S477-S479 VanDerWaalsContact C-N 3.32Å; S477-S479 PolarHBondContact O-N 3.31Å | ||
| 478 | E | 34.6 | Very low | 50.3 | Low | 173 Ų | 173 | 109.1 Ų | 109.1 | 81% | 0.808 | 60% | 0.6 | S | S | * | * | trans | -55.7 | 102.3 | 165.7 | -79 | -174.4 | 156.4 | 0 | 0 | 107.7 | Q476 W480 | Q476-E478 PolarHBondContact O-N 2.74Å; Q476-E478 VanDerWaalsContact O-N 3.11Å; E478-W480 PolarHBondContact O-N 3.04Å | ||
| 479 | S | 29 | Very low | 47.4 | Very low | 114 Ų | 114 | 114.2 Ų | 114.2 | 80% | 0.797 | 63% | 0.632 | S | S | * | * | trans | -68 | 77.6 | 163.2 | 164.7 | 0 | 0 | 0 | 0 | 108.2 | S477 | S477-S479 VanDerWaalsContact C-N 3.32Å; S477-S479 PolarHBondContact O-N 3.31Å | ||
| 480 | W | 33.6 | Very low | 44.7 | Very low | 217 Ų | 217 | 119.6 Ų | 119.6 | 82% | 0.822 | 66% | 0.659 | S | S | * | * | trans | -138 | 81 | 166.7 | -75.7 | 104.2 | 0 | 0 | 0 | 109.6 | E478 | E478-W480 PolarHBondContact O-N 3.04Š| ||
| 481 | L | 32.6 | Very low | 41.9 | Very low | 177 Ų | 177 | 124.2 Ų | 124.2 | 93% | 0.927 | 69% | 0.692 | S | S | * | * | trans | 176.4 | 124.1 | 142.6 | -95.4 | 143.9 | 0 | 0 | 0 | 107.9 | ||||
| 482 | G | 37 | Very low | 39.6 | Very low | 82 Ų | 82 | 128.7 Ų | 128.7 | 85% | 0.845 | 71% | 0.71 | S | S | * | * | trans | -75.1 | 164.7 | -177 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 483 | G | 28.7 | Very low | 37.1 | Very low | 78 Ų | 78 | 133.1 Ų | 133.1 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | 109.3 | 116.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 484 | D | 29.8 | Very low | 35.8 | Very low | 154 Ų | 154 | 138.9 Ų | 138.9 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | -159.3 | 146.3 | 51.7 | -134.2 | -12.9 | 0 | 0 | 0 | 110.8 | F486 | D484-F486 PolarHBondContact O-N 3.41Š| |||
| 485 | P | 36.1 | Very low | 34.7 | Very low | 104 Ų | 104 | 136.1 Ų | 136.1 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | trans | -89.6 | 20.6 | -174.1 | 11.9 | 5.3 | 0 | 0 | 0 | 116 | ||||
| 486 | F | 35 | Very low | 34.9 | Very low | 194 Ų | 194 | 139.2 Ų | 139.2 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | trans | -136.9 | 77.4 | -175.7 | -87.3 | -88.5 | 0 | 0 | 0 | 114 | D484 | D484-F486 PolarHBondContact O-N 3.41Š| ||
| 487 | S | 30.6 | Very low | 36.3 | Very low | 104 Ų | 104 | 132.7 Ų | 132.7 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -153.8 | 76 | 154.5 | 69 | 0 | 0 | 0 | 0 | 111.1 | T489 | S487-T489 VanDerWaalsContact C-N 3.34Å; S487-T489 PolarHBondContact O-N 2.85Å; S487-T489 VanDerWaalsContact O-N 3.1Å | ||
| 488 | H | 32.5 | Very low | 38.3 | Very low | 185 Ų | 185 | 131.1 Ų | 131.1 | 86% | 0.856 | 73% | 0.728 | S | S | * | * | trans | -77.9 | 85.3 | 165.6 | -80.5 | -74.9 | 0 | 0 | 0 | 109.9 | ||||
| 489 | T | 29.8 | Very low | 40.7 | Very low | 116 Ų | 116 | 123 Ų | 123 | 71% | 0.712 | 69% | 0.69 | S | S | * | * | trans | -132.8 | 120.2 | 154.7 | 50.3 | 0 | 0 | 0 | 0 | 107.5 | S487 S491 | S487-T489 VanDerWaalsContact C-N 3.34Å; S487-T489 PolarHBondContact O-N 2.85Å; S487-T489 VanDerWaalsContact O-N 3.1Å; T489-S491 PolarHBondContact O-N 3.32Å | ||
| 490 | N | 29.2 | Very low | 43 | Very low | 173 Ų | 173 | 120.7 Ų | 120.7 | 93% | 0.925 | 66% | 0.664 | S | S | * | * | trans | -59.6 | 70.2 | -177.7 | -83.6 | -18 | 0 | 0 | 0 | 113.4 | ||||
| 491 | S | 27.4 | Very low | 45.1 | Very low | 104 Ų | 104 | 111 Ų | 111 | 73% | 0.727 | 63% | 0.63 | S | S | * | * | trans | -95.1 | 108.2 | 161.4 | -175.1 | 0 | 0 | 0 | 0 | 107.3 | T489 S493 | T489-S491 PolarHBondContact O-N 3.32Å; S491-S493 PolarHBondContact O-N 3.08Å | ||
| 492 | F | 34.4 | Very low | 46.8 | Very low | 181 Ų | 181 | 105.7 Ų | 105.7 | 79% | 0.794 | 61% | 0.612 | S | S | * | * | trans | -46.5 | 112.1 | 170.7 | -91.4 | -100.5 | 0 | 0 | 0 | 109.6 | F494 | F492-F494 VanDerWaalsContact C-N 3.26Å; F492-F494 HydrophobicContact CB-CD2 4.32Å; F492-F494 HydrophobicContact CB-CE2 4.35Å; F492-F494 PolarHBondContact O-N 2.76Å | ||
| 493 | S | 29.7 | Very low | 48.6 | Very low | 121 Ų | 121 | 103.6 Ų | 103.6 | 85% | 0.846 | 59% | 0.585 | S | S | * | * | trans | -69 | 82.8 | 174.6 | 52.5 | 0 | 0 | 0 | 0 | 109.4 | S491 S495 | S491-S493 PolarHBondContact O-N 3.08Å; S493-S495 PolarHBondContact O-N 3.34Å | ||
| 494 | F | 40.5 | Very low | 51 | Low | 139 Ų | 139 | 101.5 Ų | 101.5 | 61% | 0.61 | 56% | 0.557 | S | S | * | * | trans | -68 | 119.9 | 163.9 | -87.3 | -87.2 | 0 | 0 | 0 | 107.9 | F492 H496 | F492-F494 VanDerWaalsContact C-N 3.26Å; F492-F494 HydrophobicContact CB-CD2 4.32Å; F492-F494 HydrophobicContact CB-CE2 4.35Å; F492-F494 PolarHBondContact O-N 2.76Å; F494-H496 PolarHBondContact O-N 3.41Å | ||
| 495 | S | 47 | Very low | 53.5 | Low | 66 Ų | 66 | 95.6 Ų | 95.6 | 46% | 0.462 | 53% | 0.525 | S | S | . | . | trans | -43.2 | 124.3 | 155.3 | 53.4 | 0 | 0 | 0 | 0 | 108.1 | S493 M497 | S493-S495 PolarHBondContact O-N 3.34Å; S495-M497 VanDerWaalsContact C-N 3.31Å; S495-M497 PolarHBondContact O-N 2.84Å | ||
| 496 | H | 56.8 | Low | 56 | Low | 155 Ų | 155 | 91.4 Ų | 91.4 | 72% | 0.718 | 50% | 0.496 | S | S | * | . | trans | -66.4 | 91.4 | -177.6 | -134.3 | -78 | 0 | 0 | 0 | 108.9 | F494 | F494-H496 PolarHBondContact O-N 3.41Š| ||
| 497 | M | 70.9 | Confident | 58.5 | Low | 45 Ų | 45 | 85.2 Ų | 85.2 | 22% | 0.222 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 127.4 | 175.8 | -65.7 | -175.9 | -165.9 | 0 | 0 | 108.5 | I472 Y474 S495 | I472-M497 HydrophobicContact CG2-CB 4.03Å; I472-M497 HydrophobicContact CG2-CG 4.28Å; I472-M497 HydrophobicContact CG2-SD 4.49Å; Y474-M497 HydrophobicContact CD1-CE 4.49Å; Y474-M497 HydrophobicContact CD1-CG 4.09Å; Y474-M497 HydrophobicContact CE1-CE 3.81Å; Y474-M497 HydrophobicContact CE1-CG 3.98Å; Y474-M497 HydrophobicContact CE1-SD 3.94Å; S495-M497 VanDerWaalsContact C-N 3.31Å; S495-M497 PolarHBondContact O-N 2.84Å |
| 498 | E | 79.4 | Confident | 61.3 | Low | 72 Ų | 72 | 80.4 Ų | 80.4 | 34% | 0.336 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 126.8 | 178.8 | -167.1 | 176.2 | -155.4 | 0 | 0 | 109.9 | S473 Y500 | S473-E498 PolarHBondContact N-O 3.38Å; S473-E498 PolarHBondContact O-N 3.29Å; E498-Y500 HydrophobicContact CB-CE2 3.94Å; E498-Y500 VanDerWaalsContact CD-OH 3.31Å; E498-Y500 HydrophobicContact CG-CE2 3.81Å; E498-Y500 WeakPolarHBondContact O-CD2 3.47Å; E498-Y500 PolarHBondContact OE2-OH 3.04Å |
| 499 | Y | 85.1 | Confident | 64.1 | Low | 3 Ų | 3 | 72 Ų | 72 | 1% | 0.012 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 132.4 | 179.4 | -66.8 | -63.9 | 0 | 0 | 0 | 111.2 | V470 I472 K507 V510 E511 R514 F520 | V470-Y499 HydrophobicContact CG1-CD1 3.65Å; V470-Y499 HydrophobicContact CG1-CG 4.01Å; I472-Y499 HydrophobicContact CD1-CD1 4.36Å; I472-Y499 HydrophobicContact CD1-CE1 3.73Å; I472-Y499 HydrophobicContact CG1-CD1 3.81Å; I472-Y499 HydrophobicContact CG1-CE1 3.7Å; Y499-K507 VanDerWaalsContact O-CE 3.25Å; Y499-K507 WeakPolarHBondContact O-CE 3.29Å; Y499-K507 PolarHBondContact O-NZ 3.2Å; Y499-V510 HydrophobicContact CD1-CG1 4.07Å; Y499-V510 HydrophobicContact CD2-CG1 4.33Å; Y499-V510 HydrophobicContact CE1-CG1 3.83Å; Y499-V510 HydrophobicContact CE2-CG1 4.07Å; Y499-V510 HydrophobicContact CG-CG1 4.33Å; Y499-E511 HydrophobicContact CD2-CG 3.65Å; Y499-E511 HydrophobicContact CE2-CG 4.34Å; Y499-R514 HydrophobicContact CE2-CB 4.34Å; Y499-F520 HydrophobicContact CE1-CB 4.45Å; Y499-F520 HydrophobicContact CE1-CD1 4.04Å; Y499-F520 WeakPolarHBondContact CE1-O 3.43Å; Y499-F520 PolarHBondContact OH-O 3.26Å |
| 500 | Y | 76.4 | Confident | 67.1 | Low | 64 Ų | 64 | 66.5 Ų | 66.5 | 25% | 0.251 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 130.4 | 174.9 | -70.4 | -93 | 0 | 0 | 0 | 109 | L183 V470 Q471 S473 E498 | L183-Y500 HydrophobicContact CD1-CD1 3.62Å; L183-Y500 HydrophobicContact CD1-CE1 4.3Å; L183-Y500 HydrophobicContact CD1-CG 4.13Å; L183-Y500 HydrophobicContact CG-CD1 4.23Å; V470-Y500 CarbonylContact C-O 3.57Å; V470-Y500 WeakPolarHBondContact CA-O 3.48Å; V470-Y500 WeakPolarHBondContact CG1-O 3.47Å; Q471-Y500 PolarHBondContact N-O 3.28Å; Q471-Y500 PolarHBondContact O-N 3.41Å; S473-Y500 VanDerWaalsContact CB-CE2 3.46Å; E498-Y500 HydrophobicContact CB-CE2 3.94Å; E498-Y500 VanDerWaalsContact CD-OH 3.31Å; E498-Y500 HydrophobicContact CG-CE2 3.81Å; E498-Y500 WeakPolarHBondContact O-CD2 3.47Å; E498-Y500 PolarHBondContact OE2-OH 3.04Å |
| 501 | A | 78 | Confident | 70 | Confident | 13 Ų | 13 | 60.8 Ų | 60.8 | 11% | 0.107 | 33% | 0.331 | C | S | . | . | trans | -138 | 152.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | V470 S503 E506 K507 | V470-A501 HydrophobicContact CG2-CB 3.8Å; A501-S503 VanDerWaalsContact C-N 3.25Å; A501-S503 VanDerWaalsContact CB-O 3.27Å; A501-S503 WeakPolarHBondContact CB-O 3.22Å; A501-E506 HydrophobicContact CB-CB 4.38Å; A501-K507 HydrophobicContact CB-CB 3.88Å | ||
| 502 | A | 67.7 | Low | 72.9 | Confident | 66 Ų | 66 | 55.9 Ų | 55.9 | 55% | 0.545 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -71.1 | -25.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112 | N182 | N182-A502 PolarHBondContact ND2-O 2.74Å; N182-A502 VanDerWaalsContact ND2-O 3.07Å |
| 503 | S | 76.2 | Confident | 75.6 | Confident | 39 Ų | 39 | 47.4 Ų | 47.4 | 27% | 0.273 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -119.6 | 128.9 | 176.1 | 169.1 | 0 | 0 | 0 | 0 | 110.9 | A501 D505 E506 K507 | A501-S503 VanDerWaalsContact C-N 3.25Å; A501-S503 VanDerWaalsContact CB-O 3.27Å; A501-S503 WeakPolarHBondContact CB-O 3.22Å; S503-D505 PolarHBondContact O-N 3.06Å; S503-D505 PolarHBondContact OG-N 3.35Å; S503-E506 PolarHBondContact O-N 3.18Å; S503-K507 PolarHBondContact O-N 3.21Å |
| 504 | P | 78.1 | Confident | 78.5 | Confident | 33 Ų | 33 | 47 Ų | 47 | 21% | 0.214 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67 | -27.5 | 179.2 | 29 | -35.4 | 0 | 0 | 0 | 112.3 | M417 E506 K507 A508 | M417-P504 HydrophobicContact CB-CB 4.48Å; M417-P504 HydrophobicContact CE-CG 4.22Å; M417-P504 HydrophobicContact CG-CB 3.72Å; M417-P504 HydrophobicContact CG-CG 4.03Å; P504-E506 VanDerWaalsContact C-N 3.3Å; P504-E506 PolarHBondContact O-N 3.42Å; P504-K507 PolarHBondContact O-N 2.95Å; P504-A508 WeakPolarHBondContact O-CB 3.37Å; P504-A508 PolarHBondContact O-N 3.48Å |
| 505 | D | 83.3 | Confident | 80.7 | Confident | 30 Ų | 30 | 45.2 Ų | 45.2 | 16% | 0.16 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.9 | -40.8 | 175 | -59.5 | -17.4 | 0 | 0 | 0 | 110.3 | M417 S503 A508 L509 R601 | M417-D505 WeakPolarHBondContact CG-OD1 2.89Å; S503-D505 PolarHBondContact O-N 3.06Å; S503-D505 PolarHBondContact OG-N 3.35Å; D505-A508 PolarHBondContact O-N 3.43Å; D505-L509 WeakPolarHBondContact O-CB 3.45Å; D505-L509 VanDerWaalsContact O-CG 3.24Å; D505-L509 WeakPolarHBondContact O-CG 3.28Å; D505-L509 PolarHBondContact O-N 3.19Å; D505-L509 VanDerWaalsContact O-N 3.11Å; D505-R601 IonicContact OD1-NH1 3.04Å; D505-R601 PolarHBondContact OD1-NH1 3.42Å; D505-R601 IonicContact OD2-NH1 3.87Å |
| 506 | E | 87.6 | Confident | 82.7 | Confident | 16 Ų | 16 | 42.8 Ų | 42.8 | 8% | 0.075 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.1 | -41.8 | 177.3 | -59.3 | -163.5 | 149.3 | 0 | 0 | 112.3 | T469 V470 A501 S503 P504 A508 L509 V510 K570 | T469-E506 PolarHBondContact N-OE2 3.38Å; T469-E506 PolarHBondContact OG1-OE2 2.93Å; V470-E506 HydrophobicContact CG2-CB 4.06Å; A501-E506 HydrophobicContact CB-CB 4.38Å; S503-E506 PolarHBondContact O-N 3.18Å; P504-E506 VanDerWaalsContact C-N 3.3Å; P504-E506 PolarHBondContact O-N 3.42Å; E506-A508 VanDerWaalsContact C-N 3.34Å; E506-A508 PolarHBondContact O-N 2.95Å; E506-L509 PolarHBondContact O-N 3.35Å; E506-V510 WeakPolarHBondContact O-CG2 3.32Å; E506-V510 PolarHBondContact O-N 3.47Å; E506-K570 VanDerWaalsContact CG-NZ 3.28Å; E506-K570 WeakPolarHBondContact OE1-CE 2.96Å; E506-K570 IonicContact OE1-NZ 2.85Å; E506-K570 PolarHBondContact OE1-NZ 3.14Å; E506-K570 IonicContact OE2-NZ 2.74Å |
| 507 | K | 87.3 | Confident | 84 | Confident | 64 Ų | 64 | 36.4 Ų | 36.4 | 28% | 0.278 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -57.7 | -49.4 | 175.8 | 178.8 | 175.3 | 174.9 | 168.3 | 0 | 110.5 | Y499 A501 S503 P504 L509 V510 E511 | Y499-K507 VanDerWaalsContact O-CE 3.25Å; Y499-K507 WeakPolarHBondContact O-CE 3.29Å; Y499-K507 PolarHBondContact O-NZ 3.2Å; A501-K507 HydrophobicContact CB-CB 3.88Å; S503-K507 PolarHBondContact O-N 3.21Å; P504-K507 PolarHBondContact O-N 2.95Å; K507-L509 VanDerWaalsContact C-N 3.3Å; K507-L509 PolarHBondContact O-N 2.91Å; K507-V510 PolarHBondContact O-N 2.98Å; K507-E511 WeakPolarHBondContact CE-OE1 3.19Å; K507-E511 HydrophobicContact CG-CG 4.38Å; K507-E511 IonicContact NZ-OE1 2.63Å; K507-E511 WeakPolarHBondContact O-CB 3.18Å; K507-E511 WeakPolarHBondContact O-CG 3.42Å; K507-E511 PolarHBondContact O-N 2.9Å |
| 508 | A | 89.4 | Confident | 84.9 | Confident | 4 Ų | 4 | 34.3 Ų | 34.3 | 3% | 0.033 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.7 | -40.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112.6 | M417 P504 D505 E506 A512 V655 | M417-A508 HydrophobicContact CB-CB 3.66Å; M417-A508 WeakPolarHBondContact O-CB 3.44Å; P504-A508 WeakPolarHBondContact O-CB 3.37Å; P504-A508 PolarHBondContact O-N 3.48Å; D505-A508 PolarHBondContact O-N 3.43Å; E506-A508 VanDerWaalsContact C-N 3.34Å; E506-A508 PolarHBondContact O-N 2.95Å; A508-A512 VanDerWaalsContact O-CB 3.27Å; A508-A512 WeakPolarHBondContact O-CB 3.26Å; A508-A512 PolarHBondContact O-N 3.29Å; A508-V655 HydrophobicContact CB-CG1 4.33Å |
| 509 | L | 92 | Very high | 85.4 | Confident | 7 Ų | 7 | 31.6 Ų | 31.6 | 4% | 0.037 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.2 | -49.3 | 177.3 | -75.5 | 175.3 | 0 | 0 | 0 | 112.2 | F419 V464 D505 E506 K507 A512 T513 L603 T653 V655 | F419-L509 HydrophobicContact CD2-CD2 3.68Å; F419-L509 HydrophobicContact CE2-CD2 4.18Å; V464-L509 HydrophobicContact CG1-CB 3.66Å; V464-L509 HydrophobicContact CG1-CD1 4.37Å; V464-L509 HydrophobicContact CG1-CD2 4.06Å; V464-L509 HydrophobicContact CG1-CG 4.24Å; D505-L509 WeakPolarHBondContact O-CB 3.45Å; D505-L509 VanDerWaalsContact O-CG 3.24Å; D505-L509 WeakPolarHBondContact O-CG 3.28Å; D505-L509 PolarHBondContact O-N 3.19Å; D505-L509 VanDerWaalsContact O-N 3.11Å; E506-L509 PolarHBondContact O-N 3.35Å; K507-L509 VanDerWaalsContact C-N 3.3Å; K507-L509 PolarHBondContact O-N 2.91Å; L509-A512 WeakPolarHBondContact O-CB 3.02Å; L509-A512 PolarHBondContact O-N 2.83Å; L509-T513 WeakPolarHBondContact O-CG2 3.36Å; L509-T513 PolarHBondContact O-N 2.98Å; L509-L603 HydrophobicContact CD1-CD1 3.99Å; L509-T653 HydrophobicContact CD2-CG2 3.78Å; L509-V655 HydrophobicContact CD2-CG2 4Å; L509-V655 HydrophobicContact CG-CG2 4.31Å |
| 510 | V | 91.8 | Very high | 85.7 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.8 | -37.1 | -179.8 | 176.9 | 0 | 0 | 0 | 0 | 111.7 | H468 V470 Y499 E506 K507 A512 T513 R514 F520 | H468-V510 HydrophobicContact CB-CG2 4.42Å; H468-V510 WeakPolarHBondContact CD2-CG2 3.36Å; V470-V510 HydrophobicContact CB-CG2 4.4Å; V470-V510 HydrophobicContact CG2-CB 4.39Å; V470-V510 HydrophobicContact CG2-CG2 3.78Å; Y499-V510 HydrophobicContact CD1-CG1 4.07Å; Y499-V510 HydrophobicContact CD2-CG1 4.33Å; Y499-V510 HydrophobicContact CE1-CG1 3.83Å; Y499-V510 HydrophobicContact CE2-CG1 4.07Å; Y499-V510 HydrophobicContact CG-CG1 4.33Å; E506-V510 WeakPolarHBondContact O-CG2 3.32Å; E506-V510 PolarHBondContact O-N 3.47Å; K507-V510 PolarHBondContact O-N 2.98Å; V510-A512 VanDerWaalsContact C-N 3.31Å; V510-A512 PolarHBondContact O-N 3.46Å; V510-T513 PolarHBondContact O-N 3.43Å; V510-T513 PolarHBondContact O-OG1 3.27Å; V510-R514 WeakPolarHBondContact O-CB 3.41Å; V510-R514 PolarHBondContact O-N 3.02Å; V510-F520 HydrophobicContact CG1-CB 4.04Å |
| 511 | E | 90.1 | Very high | 86.2 | Confident | 53 Ų | 53 | 29.7 Ų | 29.7 | 25% | 0.248 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.2 | -39.2 | 172.6 | -77.5 | 178.2 | 173.6 | 0 | 0 | 112 | Y499 K507 R514 R515 | Y499-E511 HydrophobicContact CD2-CG 3.65Å; Y499-E511 HydrophobicContact CE2-CG 4.34Å; K507-E511 WeakPolarHBondContact CE-OE1 3.19Å; K507-E511 HydrophobicContact CG-CG 4.38Å; K507-E511 IonicContact NZ-OE1 2.63Å; K507-E511 WeakPolarHBondContact O-CB 3.18Å; K507-E511 WeakPolarHBondContact O-CG 3.42Å; K507-E511 PolarHBondContact O-N 2.9Å; E511-R514 PolarHBondContact O-N 3.41Å; E511-R515 WeakPolarHBondContact O-CG 3.48Å; E511-R515 PolarHBondContact O-N 3.39Å |
| 512 | A | 90.2 | Very high | 86.4 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 2% | 0.017 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.3 | -47 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F419 A508 L509 V510 R514 R515 I516 | F419-A512 HydrophobicContact CB-CB 3.49Å; F419-A512 VanDerWaalsContact CB-CB 3.49Å; F419-A512 HydrophobicContact CD1-CB 3.78Å; F419-A512 HydrophobicContact CG-CB 3.71Å; A508-A512 VanDerWaalsContact O-CB 3.27Å; A508-A512 WeakPolarHBondContact O-CB 3.26Å; A508-A512 PolarHBondContact O-N 3.29Å; L509-A512 WeakPolarHBondContact O-CB 3.02Å; L509-A512 PolarHBondContact O-N 2.83Å; V510-A512 VanDerWaalsContact C-N 3.31Å; V510-A512 PolarHBondContact O-N 3.46Å; A512-R514 PolarHBondContact O-N 3.17Å; A512-R515 PolarHBondContact O-N 2.97Å; A512-R515 VanDerWaalsContact O-N 3.08Å; A512-I516 WeakPolarHBondContact O-CD1 3.43Å; A512-I516 VanDerWaalsContact O-CG1 3.26Å; A512-I516 WeakPolarHBondContact O-CG1 3.12Å; A512-I516 PolarHBondContact O-N 3.11Å |
| 513 | T | 90.9 | Very high | 87 | Confident | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.018 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.2 | -38.5 | 177 | 63.4 | 0 | 0 | 0 | 0 | 111.1 | L461 V464 L509 V510 I516 G517 V518 | L461-T513 HydrophobicContact CD2-CG2 4.03Å; V464-T513 HydrophobicContact CB-CG2 3.93Å; V464-T513 HydrophobicContact CG1-CG2 3.66Å; L509-T513 WeakPolarHBondContact O-CG2 3.36Å; L509-T513 PolarHBondContact O-N 2.98Å; V510-T513 PolarHBondContact O-N 3.43Å; V510-T513 PolarHBondContact O-OG1 3.27Å; T513-I516 PolarHBondContact O-N 3.36Å; T513-G517 PolarHBondContact O-N 3.35Å; T513-V518 CarbonylContact C-O 3.6Å; T513-V518 VanDerWaalsContact CB-O 3.26Å; T513-V518 WeakPolarHBondContact CB-O 3.25Å; T513-V518 CarbonylContact O-C 3.58Å; T513-V518 PolarHBondContact O-N 3.45Å; T513-V518 PolarHBondContact OG1-O 2.93Å |
| 514 | R | 89.2 | Confident | 87.1 | Confident | 113 Ų | 113 | 32.1 Ų | 32.1 | 43% | 0.426 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59.6 | -46.7 | 173.5 | -176.1 | -176 | 73.4 | 98.9 | -0 | 111.8 | Y499 V510 E511 A512 I516 G517 V518 A519 | Y499-R514 HydrophobicContact CE2-CB 4.34Å; V510-R514 WeakPolarHBondContact O-CB 3.41Å; V510-R514 PolarHBondContact O-N 3.02Å; E511-R514 PolarHBondContact O-N 3.41Å; A512-R514 PolarHBondContact O-N 3.17Å; R514-I516 PolarHBondContact O-N 3.27Å; R514-G517 PolarHBondContact O-N 3.43Å; R514-V518 PolarHBondContact N-O 3.09Å; R514-A519 HydrophobicContact CB-CB 4.23Å; R514-A519 HydrophobicContact CG-CB 3.77Å |
| 515 | R | 87.7 | Confident | 87.2 | Confident | 101 Ų | 101 | 33.8 Ų | 33.8 | 38% | 0.381 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.5 | -36 | 177.3 | -71.8 | -169.6 | -58.4 | -88.4 | 4.3 | 112.1 | E431 E511 A512 G517 | E431-R515 IonicContact OE1-CZ 2.66Å; E431-R515 IonicContact OE1-NE 2.66Å; E431-R515 PolarHBondContact OE1-NE 3.21Å; E431-R515 IonicContact OE1-NH2 2.62Å; E431-R515 PolarHBondContact OE1-NH2 3.21Å; E431-R515 VanDerWaalsContact OE1-NH2 3.08Å; E511-R515 WeakPolarHBondContact O-CG 3.48Å; E511-R515 PolarHBondContact O-N 3.39Å; A512-R515 PolarHBondContact O-N 2.97Å; A512-R515 VanDerWaalsContact O-N 3.08Å; R515-G517 VanDerWaalsContact C-N 3.33Å |
| 516 | I | 87.7 | Confident | 87.2 | Confident | 15 Ų | 15 | 37.8 Ų | 37.8 | 8% | 0.077 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -75.8 | -20.4 | 179.8 | -61.8 | 159.7 | 0 | 0 | 0 | 112.5 | F419 G434 L436 L461 A512 T513 R514 F533 | F419-I516 HydrophobicContact CE1-CD1 4.42Å; G434-I516 WeakPolarHBondContact O-CA 3.23Å; L436-I516 HydrophobicContact CD1-CD1 4.1Å; L436-I516 HydrophobicContact CD1-CG2 4.31Å; L436-I516 HydrophobicContact CD2-CD1 4.01Å; L436-I516 HydrophobicContact CG-CD1 3.81Å; L436-I516 HydrophobicContact CG-CG1 4.3Å; L436-I516 HydrophobicContact CG-CG2 4.34Å; L461-I516 HydrophobicContact CD1-CG2 3.69Å; L461-I516 HydrophobicContact CD2-CD1 3.96Å; L461-I516 HydrophobicContact CD2-CG2 4.44Å; A512-I516 WeakPolarHBondContact O-CD1 3.43Å; A512-I516 VanDerWaalsContact O-CG1 3.26Å; A512-I516 WeakPolarHBondContact O-CG1 3.12Å; A512-I516 PolarHBondContact O-N 3.11Å; T513-I516 PolarHBondContact O-N 3.36Å; R514-I516 PolarHBondContact O-N 3.27Å; I516-F533 WeakPolarHBondContact O-CE1 3.49Å |
| 517 | G | 85.8 | Confident | 87.2 | Confident | 21 Ų | 21 | 39.1 Ų | 39.1 | 22% | 0.216 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 116.1 | 7.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | T513 R514 R515 F533 | T513-G517 PolarHBondContact O-N 3.35Å; R514-G517 PolarHBondContact O-N 3.43Å; R515-G517 VanDerWaalsContact C-N 3.33Å; G517-F533 PolarHBondContact O-N 3.13Å |
| 518 | V | 89.4 | Confident | 87.3 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 90.9 | 172.4 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | L458 L461 K462 T513 R514 T532 | L458-V518 HydrophobicContact CD1-CG2 3.93Å; L461-V518 HydrophobicContact CB-CB 4.34Å; L461-V518 HydrophobicContact CB-CG2 3.98Å; L461-V518 HydrophobicContact CD1-CG2 4.2Å; K462-V518 HydrophobicContact CG-CG1 4.26Å; T513-V518 CarbonylContact C-O 3.6Å; T513-V518 VanDerWaalsContact CB-O 3.26Å; T513-V518 WeakPolarHBondContact CB-O 3.25Å; T513-V518 CarbonylContact O-C 3.58Å; T513-V518 PolarHBondContact O-N 3.45Å; T513-V518 PolarHBondContact OG1-O 2.93Å; R514-V518 PolarHBondContact N-O 3.09Å; V518-T532 HydrophobicContact CG2-CG2 4.47Å |
| 519 | A | 89.6 | Confident | 87.4 | Confident | 15 Ų | 15 | 38.2 Ų | 38.2 | 12% | 0.124 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 126 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R514 I530 N531 | R514-A519 HydrophobicContact CB-CB 4.23Å; R514-A519 HydrophobicContact CG-CB 3.77Å; A519-I530 CarbonylContact O-C 3.57Å; A519-I530 WeakPolarHBondContact O-CA 3.45Å; A519-N531 HydrophobicContact CB-CB 4.42Å; A519-N531 PolarHBondContact N-O 3.06Å; A519-N531 PolarHBondContact O-N 3.2Å |
| 520 | F | 90.7 | Very high | 87.4 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 124.2 | 166.7 | 174.5 | -112.9 | 0 | 0 | 0 | 109.7 | H468 I472 Y499 V510 G522 M528 E529 I530 | H468-F520 AromaticContact CE1-CD1 3.56Å; H468-F520 AromaticContact CE1-CE1 3.51Å; H468-F520 AromaticContact CE1-CG 3.87Å; H468-F520 AromaticContact CE1-CZ 3.77Å; H468-F520 AromaticContact NE2-CD1 3.65Å; H468-F520 AromaticContact NE2-CD2 3.93Å; H468-F520 AromaticContact NE2-CG 3.58Å; I472-F520 HydrophobicContact CD1-CD1 3.8Å; I472-F520 HydrophobicContact CD1-CE1 3.92Å; I472-F520 WeakPolarHBondContact CD1-O 3.45Å; I472-F520 HydrophobicContact CG1-CD1 4.07Å; I472-F520 HydrophobicContact CG1-CE1 3.95Å; Y499-F520 HydrophobicContact CE1-CB 4.45Å; Y499-F520 HydrophobicContact CE1-CD1 4.04Å; Y499-F520 WeakPolarHBondContact CE1-O 3.43Å; Y499-F520 PolarHBondContact OH-O 3.26Å; V510-F520 HydrophobicContact CG1-CB 4.04Å; F520-G522 WeakPolarHBondContact CE2-O 3.46Å; F520-G522 VanDerWaalsContact CZ-C 3.46Å; F520-G522 VanDerWaalsContact CZ-CA 3.45Å; F520-M528 HydrophobicContact CD2-CE 4.18Å; F520-M528 HydrophobicContact CE2-CB 4.2Å; F520-M528 HydrophobicContact CE2-CE 3.53Å; F520-M528 HydrophobicContact CE2-CG 4.46Å; F520-M528 HydrophobicContact CZ-CE 4.04Å; F520-E529 WeakPolarHBondContact CD2-O 3.46Å; F520-I530 HydrophobicContact CD2-CG2 4.27Å |
| 521 | T | 86.9 | Confident | 87.2 | Confident | 27 Ų | 27 | 39.6 Ų | 39.6 | 17% | 0.166 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 6.7 | -174.9 | 56.8 | 0 | 0 | 0 | 0 | 113.6 | Y474 E529 N531 | Y474-T521 PolarHBondContact OH-O 2.74Å; T521-E529 PolarHBondContact N-O 3.1Å; T521-E529 WeakPolarHBondContact OG1-CB 2.96Å; T521-E529 PolarHBondContact OG1-O 3.13Å; T521-N531 HydrophobicContact CG2-CB 3.87Å |
| 522 | G | 84 | Confident | 87.1 | Confident | 8 Ų | 8 | 37.6 Ų | 37.6 | 8% | 0.082 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 118.6 | -176.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114 | I472 F520 E529 | I472-G522 VanDerWaalsContact CD1-N 3.26Å; F520-G522 WeakPolarHBondContact CE2-O 3.46Å; F520-G522 VanDerWaalsContact CZ-C 3.46Å; F520-G522 VanDerWaalsContact CZ-CA 3.45Å; G522-E529 PolarHBondContact O-N 3.01Å |
| 523 | C | 79.9 | Confident | 86.8 | Confident | 81 Ų | 81 | 43.5 Ų | 43.5 | 55% | 0.547 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 133.2 | 176.9 | -62.2 | 0 | 0 | 0 | 0 | 110.6 | T527 | C523-T527 CarbonylContact C-O 3.54Å; C523-T527 VanDerWaalsContact CA-O 3.28Å; C523-T527 WeakPolarHBondContact CA-O 3.48Å |
| 524 | S | 78.5 | Confident | 86.2 | Confident | 80 Ų | 80 | 46.4 Ų | 46.4 | 56% | 0.559 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 94.9 | 168.5 | 177.4 | 0 | 0 | 0 | 0 | 108.7 | D526 T527 | S524-D526 PolarHBondContact O-N 3.44Å; S524-T527 PolarHBondContact N-O 3.47Å; S524-T527 WeakPolarHBondContact O-CB 3.46Å; S524-T527 PolarHBondContact O-N 2.65Å |
| 525 | G | 78.8 | Confident | 86 | Confident | 68 Ų | 68 | 47.9 Ų | 47.9 | 70% | 0.701 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | -129.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | T527 | G525-T527 PolarHBondContact O-N 3.27Š|
| 526 | D | 83.4 | Confident | 86.1 | Confident | 114 Ų | 114 | 46.8 Ų | 46.8 | 61% | 0.61 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | 18.4 | 176.9 | -59.1 | -27.7 | 0 | 0 | 0 | 113.2 | S524 K540 L541 | S524-D526 PolarHBondContact O-N 3.44Å; D526-K540 CarbonylContact O-C 3.22Å; D526-K540 WeakPolarHBondContact O-CA 3.42Å; D526-L541 WeakPolarHBondContact O-CB 3.42Å; D526-L541 PolarHBondContact O-N 2.89Å |
| 527 | T | 88.6 | Confident | 86.2 | Confident | 44 Ų | 44 | 47.8 Ų | 47.8 | 27% | 0.27 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 121.6 | -179 | -50.2 | 0 | 0 | 0 | 0 | 110.6 | C523 S524 G525 K538 Y539 | C523-T527 CarbonylContact C-O 3.54Å; C523-T527 VanDerWaalsContact CA-O 3.28Å; C523-T527 WeakPolarHBondContact CA-O 3.48Å; S524-T527 PolarHBondContact N-O 3.47Å; S524-T527 WeakPolarHBondContact O-CB 3.46Å; S524-T527 PolarHBondContact O-N 2.65Å; G525-T527 PolarHBondContact O-N 3.27Å; T527-K538 HydrophobicContact CG2-CB 3.83Å; T527-K538 HydrophobicContact CG2-CD 4.36Å; T527-K538 HydrophobicContact CG2-CG 4.47Å; T527-Y539 CarbonylContact C-O 3.57Å; T527-Y539 WeakPolarHBondContact CA-O 3.45Å |
| 528 | M | 89.8 | Confident | 86.4 | Confident | 6 Ų | 6 | 52.6 Ų | 52.6 | 3% | 0.03 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 130.8 | 171.6 | -64 | -174.6 | 75.7 | 0 | 0 | 110 | L466 F520 Y539 L541 L558 | L466-M528 HydrophobicContact CD2-CB 4.13Å; L466-M528 HydrophobicContact CD2-CE 4.29Å; L466-M528 HydrophobicContact CD2-SD 4.4Å; L466-M528 WeakPolarHBondContact O-CE 3.43Å; F520-M528 HydrophobicContact CD2-CE 4.18Å; F520-M528 HydrophobicContact CE2-CB 4.2Å; F520-M528 HydrophobicContact CE2-CE 3.53Å; F520-M528 HydrophobicContact CE2-CG 4.46Å; F520-M528 HydrophobicContact CZ-CE 4.04Å; M528-Y539 PolarHBondContact N-O 3.47Å; M528-Y539 PolarHBondContact O-N 3.01Å; M528-L541 HydrophobicContact CG-CB 4.26Å; M528-L541 HydrophobicContact SD-CB 4.49Å; M528-L541 HydrophobicContact SD-CD1 4.19Å; M528-L541 HydrophobicContact SD-CD2 4.45Å; M528-L558 HydrophobicContact SD-CD2 4.06Å |
| 529 | E | 90.6 | Very high | 86.6 | Confident | 43 Ų | 43 | 53.2 Ų | 53.2 | 20% | 0.201 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 130.7 | 178.8 | -57.7 | -166.2 | 159 | 0 | 0 | 110.6 | F520 T521 G522 K538 | F520-E529 WeakPolarHBondContact CD2-O 3.46Å; T521-E529 PolarHBondContact N-O 3.1Å; T521-E529 WeakPolarHBondContact OG1-CB 2.96Å; T521-E529 PolarHBondContact OG1-O 3.13Å; G522-E529 PolarHBondContact O-N 3.01Å; E529-K538 HydrophobicContact CG-CG 4.3Å; E529-K538 VanDerWaalsContact OE1-CE 3.29Å; E529-K538 WeakPolarHBondContact OE1-CE 3.48Å; E529-K538 IonicContact OE1-NZ 2.72Å; E529-K538 PolarHBondContact OE1-NZ 2.97Å |
| 530 | I | 91.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 141.3 | 173.6 | 66.1 | 168.9 | 0 | 0 | 0 | 110 | K462 L466 A519 F520 T536 E537 Y539 | K462-I530 HydrophobicContact CD-CD1 4.12Å; K462-I530 HydrophobicContact CG-CD1 3.9Å; L466-I530 HydrophobicContact CD1-CD1 4.32Å; L466-I530 HydrophobicContact CD2-CG2 3.5Å; L466-I530 HydrophobicContact CG-CG2 4.03Å; A519-I530 CarbonylContact O-C 3.57Å; A519-I530 WeakPolarHBondContact O-CA 3.45Å; F520-I530 HydrophobicContact CD2-CG2 4.27Å; I530-T536 CarbonylContact O-C 3.5Å; I530-T536 WeakPolarHBondContact O-CA 3.34Å; I530-E537 HydrophobicContact CD1-CB 4.49Å; I530-E537 HydrophobicContact CG1-CB 3.94Å; I530-E537 PolarHBondContact N-O 3.37Å; I530-E537 PolarHBondContact O-N 3.47Å; I530-Y539 HydrophobicContact CD1-CD2 4.2Å; I530-Y539 HydrophobicContact CD1-CE2 3.59Å; I530-Y539 HydrophobicContact CG1-CD2 4.2Å; I530-Y539 HydrophobicContact CG1-CE2 3.96Å |
| 531 | N | 89.1 | Confident | 86.8 | Confident | 36 Ų | 36 | 59.2 Ų | 59.2 | 19% | 0.193 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 111.5 | 173.2 | -177.3 | -8.3 | 0 | 0 | 0 | 109.1 | A519 T521 G534 K535 | A519-N531 HydrophobicContact CB-CB 4.42Å; A519-N531 PolarHBondContact N-O 3.06Å; A519-N531 PolarHBondContact O-N 3.2Å; T521-N531 HydrophobicContact CG2-CB 3.87Å; N531-G534 WeakPolarHBondContact OD1-CA 3.4Å; N531-G534 PolarHBondContact OD1-N 2.82Å; N531-K535 PolarHBondContact OD1-N 3.03Å |
| 532 | T | 87.7 | Confident | 87.1 | Confident | 12 Ų | 12 | 59.7 Ų | 59.7 | 7% | 0.074 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 106.9 | 177.8 | -60.6 | 0 | 0 | 0 | 0 | 108.8 | L458 V518 G534 K535 | L458-T532 HydrophobicContact CD1-CG2 3.65Å; L458-T532 HydrophobicContact CD2-CG2 4.4Å; V518-T532 HydrophobicContact CG2-CG2 4.47Å; T532-G534 PolarHBondContact O-N 2.92Å; T532-G534 VanDerWaalsContact O-N 3.11Å; T532-K535 PolarHBondContact N-O 3.27Å; T532-K535 WeakPolarHBondContact O-CB 3.33Å; T532-K535 PolarHBondContact O-N 3.49Å |
| 533 | F | 82.8 | Confident | 87.3 | Confident | 125 Ų | 125 | 60.1 Ų | 60.1 | 55% | 0.548 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | 38.4 | 178.7 | -59.4 | -70.7 | 0 | 0 | 0 | 114.7 | L453 L458 I516 G517 | L453-F533 HydrophobicContact CD1-CE1 4.45Å; L453-F533 HydrophobicContact CD1-CE2 3.75Å; L453-F533 HydrophobicContact CD1-CZ 3.34Å; L458-F533 HydrophobicContact CD1-CE2 4.33Å; I516-F533 WeakPolarHBondContact O-CE1 3.49Å; G517-F533 PolarHBondContact O-N 3.13Å |
| 534 | G | 78.7 | Confident | 87.8 | Confident | 64 Ų | 64 | 58 Ų | 58 | 66% | 0.66 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94 | -6.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | N531 T532 | N531-G534 WeakPolarHBondContact OD1-CA 3.4Å; N531-G534 PolarHBondContact OD1-N 2.82Å; T532-G534 PolarHBondContact O-N 2.92Å; T532-G534 VanDerWaalsContact O-N 3.11Å |
| 535 | K | 85.8 | Confident | 88.4 | Confident | 144 Ų | 144 | 54.2 Ų | 54.2 | 63% | 0.626 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 116.9 | 176.2 | -170.7 | -179.3 | 179.8 | -175.6 | 0 | 110.8 | N531 T532 | N531-K535 PolarHBondContact OD1-N 3.03Å; T532-K535 PolarHBondContact N-O 3.27Å; T532-K535 WeakPolarHBondContact O-CB 3.33Å; T532-K535 PolarHBondContact O-N 3.49Å |
| 536 | T | 88.1 | Confident | 88.7 | Confident | 79 Ų | 79 | 57.8 Ų | 57.8 | 49% | 0.485 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 126.8 | 175.7 | -49 | 0 | 0 | 0 | 0 | 111 | I530 | I530-T536 CarbonylContact O-C 3.5Å; I530-T536 WeakPolarHBondContact O-CA 3.34Å |
| 537 | E | 90.1 | Very high | 88.7 | Confident | 35 Ų | 35 | 57.5 Ų | 57.5 | 16% | 0.164 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 142.8 | 172.9 | -63.3 | -179.6 | -168.8 | 0 | 0 | 109.8 | K462 I530 Y539 P561 | K462-E537 IonicContact NZ-OE1 2.71Å; K462-E537 PolarHBondContact NZ-OE1 3.49Å; K462-E537 IonicContact NZ-OE2 3.83Å; K462-E537 PolarHBondContact NZ-OE2 2.83Å; I530-E537 HydrophobicContact CD1-CB 4.49Å; I530-E537 HydrophobicContact CG1-CB 3.94Å; I530-E537 PolarHBondContact N-O 3.37Å; I530-E537 PolarHBondContact O-N 3.47Å; E537-Y539 HydrophobicContact CB-CE2 4.02Å; E537-Y539 PolarHBondContact OE2-OH 3.47Å; E537-P561 HydrophobicContact CB-CG 4.31Å |
| 538 | K | 91.3 | Very high | 88.1 | Confident | 122 Ų | 122 | 57.2 Ų | 57.2 | 53% | 0.53 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 122.9 | -178.4 | -58.7 | -165.2 | -174.7 | -139.9 | 0 | 110.3 | T527 E529 P561 | T527-K538 HydrophobicContact CG2-CB 3.83Å; T527-K538 HydrophobicContact CG2-CD 4.36Å; T527-K538 HydrophobicContact CG2-CG 4.47Å; E529-K538 HydrophobicContact CG-CG 4.3Å; E529-K538 VanDerWaalsContact OE1-CE 3.29Å; E529-K538 WeakPolarHBondContact OE1-CE 3.48Å; E529-K538 IonicContact OE1-NZ 2.72Å; E529-K538 PolarHBondContact OE1-NZ 2.97Å; K538-P561 WeakPolarHBondContact O-CG 3.49Å |
| 539 | Y | 93.3 | Very high | 87.1 | Confident | 14 Ų | 14 | 61 Ų | 61 | 6% | 0.055 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 131 | 177.2 | -75.4 | -101.3 | 0 | 0 | 0 | 109.1 | L466 T527 M528 I530 E537 L558 E559 T560 P561 M566 | L466-Y539 HydrophobicContact CD1-CD1 4.03Å; L466-Y539 HydrophobicContact CD1-CD2 4.06Å; L466-Y539 HydrophobicContact CD1-CE1 3.97Å; L466-Y539 HydrophobicContact CD1-CE2 4.05Å; L466-Y539 HydrophobicContact CD1-CG 4.05Å; L466-Y539 HydrophobicContact CD2-CD2 4.23Å; L466-Y539 HydrophobicContact CD2-CG 4.25Å; T527-Y539 CarbonylContact C-O 3.57Å; T527-Y539 WeakPolarHBondContact CA-O 3.45Å; M528-Y539 PolarHBondContact N-O 3.47Å; M528-Y539 PolarHBondContact O-N 3.01Å; I530-Y539 HydrophobicContact CD1-CD2 4.2Å; I530-Y539 HydrophobicContact CD1-CE2 3.59Å; I530-Y539 HydrophobicContact CG1-CD2 4.2Å; I530-Y539 HydrophobicContact CG1-CE2 3.96Å; E537-Y539 HydrophobicContact CB-CE2 4.02Å; E537-Y539 PolarHBondContact OE2-OH 3.47Å; Y539-L558 HydrophobicContact CD1-CB 4.28Å; Y539-L558 HydrophobicContact CD1-CD1 4.25Å; Y539-E559 WeakPolarHBondContact CA-O 3.3Å; Y539-T560 HydrophobicContact CE1-CG2 4.14Å; Y539-P561 HydrophobicContact CE2-CG 4.2Å; Y539-M566 HydrophobicContact CE1-SD 4.44Å |
| 540 | K | 93 | Very high | 86.3 | Confident | 101 Ų | 101 | 65.3 Ų | 65.3 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 119.9 | 175 | -166.5 | -178.3 | 176.8 | -178.3 | 0 | 109.3 | D526 L542 L558 E559 | D526-K540 CarbonylContact O-C 3.22Å; D526-K540 WeakPolarHBondContact O-CA 3.42Å; K540-L542 HydrophobicContact CD-CD2 4.3Å; K540-L542 HydrophobicContact CG-CD2 4.44Å; K540-L542 PolarHBondContact O-N 3.1Å; K540-L558 CarbonylContact O-C 3.57Å; K540-L558 VanDerWaalsContact O-CA 3.32Å; K540-L558 WeakPolarHBondContact O-CA 3.25Å; K540-E559 HydrophobicContact CB-CB 3.87Å; K540-E559 WeakPolarHBondContact CD-OE2 3.46Å; K540-E559 PolarHBondContact N-O 2.98Å; K540-E559 VanDerWaalsContact N-O 3.09Å; K540-E559 PolarHBondContact O-N 3.47Å |
| 541 | L | 91.6 | Very high | 85.9 | Confident | 40 Ų | 40 | 65.9 Ų | 65.9 | 21% | 0.209 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 113.2 | 175 | -178.5 | 60.7 | 0 | 0 | 0 | 109.7 | D526 M528 V544 V556 L558 | D526-L541 WeakPolarHBondContact O-CB 3.42Å; D526-L541 PolarHBondContact O-N 2.89Å; M528-L541 HydrophobicContact CG-CB 4.26Å; M528-L541 HydrophobicContact SD-CB 4.49Å; M528-L541 HydrophobicContact SD-CD1 4.19Å; M528-L541 HydrophobicContact SD-CD2 4.45Å; L541-V544 HydrophobicContact CD1-CG2 3.82Å; L541-V544 HydrophobicContact CD2-CG2 3.91Å; L541-V544 HydrophobicContact CG-CG2 4.26Å; L541-V556 HydrophobicContact CD1-CG1 3.28Å; L541-L558 HydrophobicContact CB-CD2 4.31Å; L541-L558 HydrophobicContact CD1-CD2 3.69Å |
| 542 | L | 91.7 | Very high | 85.7 | Confident | 37 Ų | 37 | 68.7 Ų | 68.7 | 19% | 0.194 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | -53.3 | 180 | -60.6 | 175.2 | 0 | 0 | 0 | 110.4 | K540 I557 E559 K565 Y615 | K540-L542 HydrophobicContact CD-CD2 4.3Å; K540-L542 HydrophobicContact CG-CD2 4.44Å; K540-L542 PolarHBondContact O-N 3.1Å; L542-I557 HydrophobicContact CB-CB 4.49Å; L542-I557 HydrophobicContact CB-CG2 4.27Å; L542-I557 WeakPolarHBondContact CB-O 3.39Å; L542-I557 HydrophobicContact CD1-CG2 4.19Å; L542-I557 PolarHBondContact N-O 3.46Å; L542-E559 HydrophobicContact CD1-CB 4.19Å; L542-E559 HydrophobicContact CG-CB 4.46Å; L542-K565 HydrophobicContact CD1-CD 4.2Å; L542-K565 HydrophobicContact CD1-CG 4.25Å; L542-Y615 WeakPolarHBondContact CB-OH 3.41Å; L542-Y615 HydrophobicContact CD1-CE2 3.81Å |
| 543 | H | 90 | Very high | 85.9 | Confident | 17 Ų | 17 | 69.1 Ų | 69.1 | 8% | 0.079 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 140.7 | 178.5 | -59.9 | -46.4 | 0 | 0 | 0 | 112.2 | L545 I557 D619 L622 R626 | H543-L545 HydrophobicContact CB-CD1 4.24Å; H543-I557 HydrophobicContact CB-CB 4.3Å; H543-I557 HydrophobicContact CB-CD1 4.25Å; H543-I557 PolarHBondContact N-O 2.92Å; H543-I557 PolarHBondContact O-N 3.12Å; H543-D619 IonicContact CE1-OD1 2.58Å; H543-D619 PolarHBondContact CE1-OD1 3.01Å; H543-D619 VanDerWaalsContact CE1-OD1 3.27Å; H543-D619 IonicContact NE2-OD1 2.61Å; H543-D619 PolarHBondContact NE2-OD1 2.77Å; H543-L622 HydrophobicContact CB-CD1 4.49Å; H543-R626 PolarHBondContact ND1-NH1 3.15Å |
| 544 | V | 89.5 | Confident | 86.3 | Confident | 37 Ų | 37 | 63.5 Ų | 63.5 | 22% | 0.224 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 127.1 | 163.4 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | T469 L541 E546 R626 | T469-V544 HydrophobicContact CG2-CG1 4.41Å; L541-V544 HydrophobicContact CD1-CG2 3.82Å; L541-V544 HydrophobicContact CD2-CG2 3.91Å; L541-V544 HydrophobicContact CG-CG2 4.26Å; V544-E546 HydrophobicContact CG1-CG 4.3Å; V544-R626 PolarHBondContact O-NH2 3.23Å |
| 545 | L | 91.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 92.6 | 169.4 | -69 | 72.1 | 0 | 0 | 0 | 106.5 | H543 R551 S555 I557 L622 F640 I643 E644 | H543-L545 HydrophobicContact CB-CD1 4.24Å; L545-R551 PolarHBondContact O-NH2 2.8Å; L545-S555 WeakPolarHBondContact CA-O 3.16Å; L545-S555 PolarHBondContact N-O 2.79Å; L545-S555 PolarHBondContact O-N 2.73Å; L545-S555 VanDerWaalsContact O-N 3.09Å; L545-I557 HydrophobicContact CD1-CD1 3.94Å; L545-I557 HydrophobicContact CD1-CG1 4.1Å; L545-L622 HydrophobicContact CD1-CD1 4.27Å; L545-F640 HydrophobicContact CB-CD1 4.38Å; L545-F640 HydrophobicContact CB-CE1 4.23Å; L545-F640 HydrophobicContact CB-CZ 4.39Å; L545-F640 HydrophobicContact CD2-CB 4.25Å; L545-F640 HydrophobicContact CD2-CD1 3.43Å; L545-F640 VanDerWaalsContact CD2-CD1 3.43Å; L545-F640 HydrophobicContact CD2-CE1 3.95Å; L545-F640 HydrophobicContact CD2-CG 3.92Å; L545-F640 HydrophobicContact CG-CD1 3.75Å; L545-F640 HydrophobicContact CG-CE1 3.69Å; L545-F640 HydrophobicContact CG-CG 4.44Å; L545-F640 HydrophobicContact CG-CZ 4.33Å; L545-I643 HydrophobicContact CD2-CD1 4.36Å; L545-I643 HydrophobicContact CD2-CG2 4.44Å; L545-E644 HydrophobicContact CD2-CG 4.41Å |
| 546 | E | 84.8 | Confident | 87.5 | Confident | 144 Ų | 144 | 53.6 Ų | 53.6 | 67% | 0.673 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -53.8 | 152.3 | -172.5 | -66.2 | 177.6 | -179 | 0 | 0 | 113.7 | V544 D548 R551 | V544-E546 HydrophobicContact CG1-CG 4.3Å; E546-D548 PolarHBondContact O-N 2.84Å; E546-R551 PolarHBondContact O-NH2 2.81Å |
| 547 | F | 83.3 | Confident | 87.8 | Confident | 107 Ų | 107 | 49.9 Ų | 49.9 | 47% | 0.469 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 128.1 | 176 | 178.3 | -94.4 | 0 | 0 | 0 | 110.5 | P549 M554 | F547-P549 HydrophobicContact CE1-CB 4.46Å; F547-P549 HydrophobicContact CE1-CG 4.16Å; F547-M554 HydrophobicContact CB-CB 4.21Å; F547-M554 HydrophobicContact CB-CE 4.4Å |
| 548 | D | 75.6 | Confident | 88 | Confident | 39 Ų | 39 | 48.2 Ų | 48.2 | 21% | 0.209 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 124.5 | 173.2 | 171.7 | -8.6 | 0 | 0 | 0 | 108.3 | E546 N550 R551 R552 | E546-D548 PolarHBondContact O-N 2.84Å; D548-N550 PolarHBondContact O-N 3.01Å; D548-N550 VanDerWaalsContact OD1-CB 3.31Å; D548-N550 WeakPolarHBondContact OD1-CB 3.39Å; D548-N550 PolarHBondContact OD1-N 2.85Å; D548-R551 HydrophobicContact CB-CB 3.78Å; D548-R551 CarbonylContact O-C 3.59Å; D548-R551 PolarHBondContact O-N 3.17Å; D548-R552 PolarHBondContact O-N 2.85Å |
| 549 | P | 69.3 | Low | 88.1 | Confident | 86 Ų | 86 | 44.9 Ų | 44.9 | 56% | 0.558 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -31.4 | 178.1 | -25 | 33.5 | 0 | 0 | 0 | 114.8 | F547 R552 | F547-P549 HydrophobicContact CE1-CB 4.46Å; F547-P549 HydrophobicContact CE1-CG 4.16Å; P549-R552 VanDerWaalsContact O-CG 3.24Å; P549-R552 WeakPolarHBondContact O-CG 3.3Å |
| 550 | N | 73.7 | Confident | 88 | Confident | 133 Ų | 133 | 45.1 Ų | 45.1 | 71% | 0.711 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -40.1 | 176.4 | -62.8 | -41.5 | 0 | 0 | 0 | 110.6 | D548 | D548-N550 PolarHBondContact O-N 3.01Å; D548-N550 VanDerWaalsContact OD1-CB 3.31Å; D548-N550 WeakPolarHBondContact OD1-CB 3.39Å; D548-N550 PolarHBondContact OD1-N 2.85Å |
| 551 | R | 83.4 | Confident | 87.7 | Confident | 11 Ų | 11 | 44.3 Ų | 44.3 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -27.5 | -179.2 | -162.5 | 178.7 | 60.1 | 153.3 | -5.3 | 113.8 | L545 E546 D548 R553 E644 | L545-R551 PolarHBondContact O-NH2 2.8Å; E546-R551 PolarHBondContact O-NH2 2.81Å; D548-R551 HydrophobicContact CB-CB 3.78Å; D548-R551 CarbonylContact O-C 3.59Å; D548-R551 PolarHBondContact O-N 3.17Å; R551-R553 VanDerWaalsContact C-N 3.28Å; R551-R553 HydrophobicContact CG-CG 3.84Å; R551-R553 VanDerWaalsContact CG-CZ 3.49Å; R551-R553 PolarHBondContact NE-O 3.03Å; R551-R553 PolarHBondContact NH2-O 2.7Å; R551-R553 PolarHBondContact O-N 3.35Å; R551-R553 PolarHBondContact O-NH1 3.36Å; R551-R553 VanDerWaalsContact O-NH1 3.16Å; R551-E644 WeakPolarHBondContact CD-OE2 3.36Å; R551-E644 IonicContact CZ-OE1 2.76Å; R551-E644 IonicContact CZ-OE2 3.1Å; R551-E644 IonicContact NE-OE2 3.86Å; R551-E644 IonicContact NH1-OE1 2.98Å; R551-E644 PolarHBondContact NH1-OE1 3.24Å; R551-E644 IonicContact NH1-OE2 3.9Å; R551-E644 PolarHBondContact NH1-OE2 3.44Å; R551-E644 IonicContact NH2-OE1 2.84Å |
| 552 | R | 85.3 | Confident | 87.4 | Confident | 96 Ų | 96 | 47.6 Ų | 47.6 | 36% | 0.362 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 29.2 | 179 | -54.2 | 179.5 | -175.2 | -171.4 | 2.8 | 115.4 | D548 P549 G571 A572 A575 | D548-R552 PolarHBondContact O-N 2.85Å; P549-R552 VanDerWaalsContact O-CG 3.24Å; P549-R552 WeakPolarHBondContact O-CG 3.3Å; R552-G571 VanDerWaalsContact O-CA 3.31Å; R552-G571 WeakPolarHBondContact O-CA 3.4Å; R552-A572 HydrophobicContact CB-CB 4.19Å; R552-A572 PolarHBondContact O-N 3.48Å; R552-A575 HydrophobicContact CB-CB 3.81Å |
| 553 | R | 90.6 | Very high | 87.2 | Confident | 20 Ų | 20 | 47.8 Ų | 47.8 | 8% | 0.075 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 157.4 | 177 | 59.6 | -173.3 | 177.1 | -96.2 | 3.9 | 111.3 | R551 T569 K570 A575 V576 E644 | R551-R553 VanDerWaalsContact C-N 3.28Å; R551-R553 HydrophobicContact CG-CG 3.84Å; R551-R553 VanDerWaalsContact CG-CZ 3.49Å; R551-R553 PolarHBondContact NE-O 3.03Å; R551-R553 PolarHBondContact NH2-O 2.7Å; R551-R553 PolarHBondContact O-N 3.35Å; R551-R553 PolarHBondContact O-NH1 3.36Å; R551-R553 VanDerWaalsContact O-NH1 3.16Å; R553-T569 HydrophobicContact CB-CG2 4.36Å; R553-K570 CarbonylContact C-O 3.43Å; R553-K570 VanDerWaalsContact CA-O 3.26Å; R553-K570 WeakPolarHBondContact CA-O 3.47Å; R553-K570 WeakPolarHBondContact CB-O 3.45Å; R553-A575 PolarHBondContact NH1-O 2.77Å; R553-V576 HydrophobicContact CB-CG2 4.22Å; R553-E644 IonicContact CZ-OE2 2.75Å; R553-E644 IonicContact NE-OE2 3.04Å; R553-E644 PolarHBondContact NE-OE2 3.33Å; R553-E644 IonicContact NH2-OE2 2.76Å; R553-E644 PolarHBondContact NH2-OE2 3.45Å |
| 554 | M | 92.6 | Very high | 87.2 | Confident | 7 Ų | 7 | 48.5 Ų | 48.5 | 3% | 0.034 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 145.8 | 171.8 | 169.1 | -176.3 | -91.8 | 0 | 0 | 108.3 | T469 F547 T569 K570 | T469-M554 HydrophobicContact CG2-CE 3.53Å; F547-M554 HydrophobicContact CB-CB 4.21Å; F547-M554 HydrophobicContact CB-CE 4.4Å; M554-T569 WeakPolarHBondContact O-CA 3.28Å; M554-K570 PolarHBondContact N-O 3.15Å; M554-K570 PolarHBondContact O-N 2.9Å |
| 555 | S | 94.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 151.5 | 172.8 | -53.3 | 0 | 0 | 0 | 0 | 112.5 | L545 F568 T569 E644 | L545-S555 WeakPolarHBondContact CA-O 3.16Å; L545-S555 PolarHBondContact N-O 2.79Å; L545-S555 PolarHBondContact O-N 2.73Å; L545-S555 VanDerWaalsContact O-N 3.09Å; S555-F568 CarbonylContact C-O 3.55Å; S555-F568 WeakPolarHBondContact CA-O 3.38Å; S555-F568 WeakPolarHBondContact CB-O 3.48Å; S555-T569 WeakPolarHBondContact OG-CB 3.45Å; S555-T569 WeakPolarHBondContact OG-CG2 3.47Å; S555-T569 PolarHBondContact OG-OG1 3.01Å; S555-E644 VanDerWaalsContact CB-OE1 3.31Å; S555-E644 WeakPolarHBondContact CB-OE1 3.49Å; S555-E644 PolarHBondContact OG-OE1 3.22Å |
| 556 | V | 94.6 | Very high | 87.5 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 131.6 | 176.9 | -176.7 | 0 | 0 | 0 | 0 | 109 | C467 L541 L558 L567 F568 | C467-V556 HydrophobicContact CB-CG2 4.37Å; L541-V556 HydrophobicContact CD1-CG1 3.28Å; V556-L558 HydrophobicContact CG1-CD1 4.43Å; V556-L558 HydrophobicContact CG1-CD2 3.59Å; V556-L558 HydrophobicContact CG1-CG 3.88Å; V556-L567 WeakPolarHBondContact O-CA 3.41Å; V556-F568 PolarHBondContact N-O 3.4Å; V556-F568 PolarHBondContact O-N 3.3Å |
| 557 | I | 94.8 | Very high | 88 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 124.7 | 175.5 | -55.6 | 173.5 | 0 | 0 | 0 | 108.8 | L542 H543 L545 M566 L567 F610 Y615 V618 L622 I643 | L542-I557 HydrophobicContact CB-CB 4.49Å; L542-I557 HydrophobicContact CB-CG2 4.27Å; L542-I557 WeakPolarHBondContact CB-O 3.39Å; L542-I557 HydrophobicContact CD1-CG2 4.19Å; L542-I557 PolarHBondContact N-O 3.46Å; H543-I557 HydrophobicContact CB-CB 4.3Å; H543-I557 HydrophobicContact CB-CD1 4.25Å; H543-I557 PolarHBondContact N-O 2.92Å; H543-I557 PolarHBondContact O-N 3.12Å; L545-I557 HydrophobicContact CD1-CD1 3.94Å; L545-I557 HydrophobicContact CD1-CG1 4.1Å; I557-M566 WeakPolarHBondContact CA-O 3.42Å; I557-L567 HydrophobicContact CD1-CD1 4.17Å; I557-L567 HydrophobicContact CG1-CD1 3.43Å; I557-L567 VanDerWaalsContact CG1-CD1 3.43Å; I557-F610 HydrophobicContact CD1-CE2 4.34Å; I557-F610 HydrophobicContact CG1-CE2 4.3Å; I557-F610 HydrophobicContact CG2-CD2 4.45Å; I557-F610 HydrophobicContact CG2-CE2 4.11Å; I557-Y615 HydrophobicContact CG2-CD2 4.3Å; I557-Y615 HydrophobicContact CG2-CE2 3.83Å; I557-V618 HydrophobicContact CD1-CG1 4.02Å; I557-L622 HydrophobicContact CD1-CD1 4.46Å; I557-I643 HydrophobicContact CD1-CG2 4.21Å |
| 558 | L | 94 | Very high | 88.6 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 149.2 | -173.2 | -57.3 | 170.5 | 0 | 0 | 0 | 111.1 | L466 M528 Y539 K540 L541 V556 K565 M566 F568 | L466-L558 HydrophobicContact CB-CD1 3.78Å; L466-L558 HydrophobicContact CD1-CD1 3.89Å; L466-L558 HydrophobicContact CD2-CD1 4.32Å; L466-L558 HydrophobicContact CG-CD1 4.23Å; M528-L558 HydrophobicContact SD-CD2 4.06Å; Y539-L558 HydrophobicContact CD1-CB 4.28Å; Y539-L558 HydrophobicContact CD1-CD1 4.25Å; K540-L558 CarbonylContact O-C 3.57Å; K540-L558 VanDerWaalsContact O-CA 3.32Å; K540-L558 WeakPolarHBondContact O-CA 3.25Å; L541-L558 HydrophobicContact CB-CD2 4.31Å; L541-L558 HydrophobicContact CD1-CD2 3.69Å; V556-L558 HydrophobicContact CG1-CD1 4.43Å; V556-L558 HydrophobicContact CG1-CD2 3.59Å; V556-L558 HydrophobicContact CG1-CG 3.88Å; L558-K565 WeakPolarHBondContact O-CA 3.47Å; L558-M566 HydrophobicContact CB-CG 4.42Å; L558-M566 PolarHBondContact N-O 3.41Å; L558-M566 PolarHBondContact O-N 2.7Å; L558-F568 HydrophobicContact CD1-CD2 3.75Å; L558-F568 HydrophobicContact CD1-CE2 3.93Å |
| 559 | E | 93.4 | Very high | 89.6 | Confident | 53 Ų | 53 | 35.5 Ų | 35.5 | 25% | 0.248 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 123.7 | 160.9 | -159.5 | 169.3 | -161.2 | 0 | 0 | 109 | Y539 K540 L542 G564 | Y539-E559 WeakPolarHBondContact CA-O 3.3Å; K540-E559 HydrophobicContact CB-CB 3.87Å; K540-E559 WeakPolarHBondContact CD-OE2 3.46Å; K540-E559 PolarHBondContact N-O 2.98Å; K540-E559 VanDerWaalsContact N-O 3.09Å; K540-E559 PolarHBondContact O-N 3.47Å; L542-E559 HydrophobicContact CD1-CB 4.19Å; L542-E559 HydrophobicContact CG-CB 4.46Å; E559-G564 CarbonylContact C-O 3.53Å; E559-G564 WeakPolarHBondContact CA-O 3.44Å |
| 560 | T | 90.4 | Very high | 90.8 | Very high | 19 Ų | 19 | 32.1 Ų | 32.1 | 12% | 0.117 | 19% | 0.188 | C | C | . | . | trans | -70.1 | 160.3 | 177.4 | 63.1 | 0 | 0 | 0 | 0 | 110.9 | Y539 S562 G563 G564 M566 | Y539-T560 HydrophobicContact CE1-CG2 4.14Å; T560-S562 PolarHBondContact O-N 2.82Å; T560-S562 PolarHBondContact OG1-N 2.89Å; T560-S562 PolarHBondContact OG1-OG 3.3Å; T560-G563 PolarHBondContact O-N 3.18Å; T560-G564 PolarHBondContact N-O 3.48Å; T560-G564 WeakPolarHBondContact OG1-CA 3.37Å; T560-G564 PolarHBondContact OG1-N 3.07Å; T560-G564 PolarHBondContact OG1-O 3.08Å; T560-M566 HydrophobicContact CG2-CG 3.99Å; T560-M566 HydrophobicContact CG2-SD 3.38Å; T560-M566 WeakPolarHBondContact CG2-SD 3.36Å | ||
| 561 | P | 87.1 | Confident | 91.7 | Very high | 83 Ų | 83 | 25.9 Ų | 25.9 | 54% | 0.539 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -22.9 | 171.4 | -23.9 | 30.7 | 0 | 0 | 0 | 113.9 | E537 K538 Y539 | E537-P561 HydrophobicContact CB-CG 4.31Å; K538-P561 WeakPolarHBondContact O-CG 3.49Å; Y539-P561 HydrophobicContact CE2-CG 4.2Å |
| 562 | S | 86.4 | Confident | 91.9 | Very high | 110 Ų | 110 | 26.3 Ų | 26.3 | 77% | 0.769 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | 1.3 | 176 | 53.1 | 0 | 0 | 0 | 0 | 114.5 | T560 G564 | T560-S562 PolarHBondContact O-N 2.82Å; T560-S562 PolarHBondContact OG1-N 2.89Å; T560-S562 PolarHBondContact OG1-OG 3.3Å; S562-G564 VanDerWaalsContact C-N 3.34Å |
| 563 | G | 85.6 | Confident | 92 | Very high | 41 Ų | 41 | 24.6 Ų | 24.6 | 42% | 0.423 | 16% | 0.157 | S | C | . | . | S | Bend | trans | 82 | 4.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | T560 | T560-G563 PolarHBondContact O-N 3.18Š|
| 564 | G | 90.5 | Very high | 91.7 | Very high | 31 Ų | 31 | 26.7 Ų | 26.7 | 32% | 0.32 | 18% | 0.175 | S | C | . | . | trans | -75.6 | 149.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E559 T560 S562 | E559-G564 CarbonylContact C-O 3.53Å; E559-G564 WeakPolarHBondContact CA-O 3.44Å; T560-G564 PolarHBondContact N-O 3.48Å; T560-G564 WeakPolarHBondContact OG1-CA 3.37Å; T560-G564 PolarHBondContact OG1-N 3.07Å; T560-G564 PolarHBondContact OG1-O 3.08Å; S562-G564 VanDerWaalsContact C-N 3.34Å | ||
| 565 | K | 93.4 | Very high | 91.5 | Very high | 49 Ų | 49 | 26.8 Ų | 26.8 | 21% | 0.213 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 126 | 176.8 | -61.6 | -174.7 | 179.4 | 66.6 | 0 | 109.8 | L542 L558 F610 Y615 | L542-K565 HydrophobicContact CD1-CD 4.2Å; L542-K565 HydrophobicContact CD1-CG 4.25Å; L558-K565 WeakPolarHBondContact O-CA 3.47Å; K565-F610 HydrophobicContact CB-CB 4.33Å; K565-F610 PolarHBondContact O-N 3.46Å; K565-Y615 HydrophobicContact CB-CD2 4.45Å; K565-Y615 HydrophobicContact CD-CD1 3.33Å; K565-Y615 HydrophobicContact CD-CD2 3.61Å; K565-Y615 HydrophobicContact CD-CE1 3.86Å; K565-Y615 HydrophobicContact CD-CE2 4.09Å; K565-Y615 HydrophobicContact CD-CG 3.19Å; K565-Y615 HydrophobicContact CG-CG 4.48Å |
| 566 | M | 94.2 | Very high | 91.3 | Very high | 5 Ų | 5 | 26.8 Ų | 26.8 | 3% | 0.025 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 146.8 | -176.9 | 71.4 | -174.4 | -45.8 | 0 | 0 | 112.4 | L459 Y539 I557 L558 T560 F568 R608 | L459-M566 HydrophobicContact CD1-CE 4.16Å; Y539-M566 HydrophobicContact CE1-SD 4.44Å; I557-M566 WeakPolarHBondContact CA-O 3.42Å; L558-M566 HydrophobicContact CB-CG 4.42Å; L558-M566 PolarHBondContact N-O 3.41Å; L558-M566 PolarHBondContact O-N 2.7Å; T560-M566 HydrophobicContact CG2-CG 3.99Å; T560-M566 HydrophobicContact CG2-SD 3.38Å; T560-M566 WeakPolarHBondContact CG2-SD 3.36Å; M566-F568 HydrophobicContact CE-CD1 4.33Å; M566-F568 HydrophobicContact CE-CE1 3.42Å; M566-F568 VanDerWaalsContact CE-CE1 3.42Å; M566-F568 HydrophobicContact CE-CE2 3.83Å; M566-F568 HydrophobicContact CE-CZ 3.13Å; M566-F568 HydrophobicContact CG-CE2 4.26Å; M566-F568 HydrophobicContact CG-CZ 4.49Å; M566-F568 HydrophobicContact SD-CE1 4.42Å; M566-F568 HydrophobicContact SD-CE2 3.72Å; M566-F568 HydrophobicContact SD-CZ 3.6Å; M566-F568 VanDerWaalsContact SD-CZ 3.6Å; M566-R608 CarbonylContact C-O 3.24Å; M566-R608 WeakPolarHBondContact CA-O 3.41Å |
| 567 | L | 95.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 131.1 | 171.1 | -177.6 | 75.2 | 0 | 0 | 0 | 108.4 | V556 I557 C607 R608 F610 I643 L647 | V556-L567 WeakPolarHBondContact O-CA 3.41Å; I557-L567 HydrophobicContact CD1-CD1 4.17Å; I557-L567 HydrophobicContact CG1-CD1 3.43Å; I557-L567 VanDerWaalsContact CG1-CD1 3.43Å; L567-C607 CarbonylContact O-C 3.52Å; L567-C607 WeakPolarHBondContact O-CA 3.41Å; L567-C607 WeakPolarHBondContact O-CB 2.99Å; L567-R608 HydrophobicContact CB-CB 4.18Å; L567-R608 HydrophobicContact CD2-CB 4.33Å; L567-R608 PolarHBondContact N-O 3.49Å; L567-R608 PolarHBondContact O-N 2.92Å; L567-F610 HydrophobicContact CB-CE2 3.63Å; L567-F610 HydrophobicContact CB-CZ 3.79Å; L567-F610 HydrophobicContact CD2-CZ 4.2Å; L567-F610 HydrophobicContact CG-CZ 4.42Å; L567-I643 HydrophobicContact CD1-CG2 4.28Å; L567-I643 HydrophobicContact CD2-CG2 4.29Å; L567-L647 HydrophobicContact CD2-CD2 3.81Å |
| 568 | F | 96.5 | Very high | 90.9 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 137.1 | 159.5 | -68.2 | -59.3 | 0 | 0 | 0 | 109.2 | L459 A463 L466 C467 S555 V556 L558 M566 C607 L650 | L459-F568 HydrophobicContact CD1-CE1 4.2Å; L459-F568 HydrophobicContact CD1-CZ 4.16Å; A463-F568 HydrophobicContact CB-CD1 3.3Å; A463-F568 HydrophobicContact CB-CE1 3.42Å; A463-F568 VanDerWaalsContact CB-CE1 3.42Å; A463-F568 HydrophobicContact CB-CG 3.9Å; A463-F568 HydrophobicContact CB-CZ 4.08Å; L466-F568 HydrophobicContact CB-CD2 4.36Å; L466-F568 HydrophobicContact CB-CE2 4.46Å; L466-F568 HydrophobicContact CD1-CE2 3.93Å; C467-F568 HydrophobicContact CB-CB 3.79Å; S555-F568 CarbonylContact C-O 3.55Å; S555-F568 WeakPolarHBondContact CA-O 3.38Å; S555-F568 WeakPolarHBondContact CB-O 3.48Å; V556-F568 PolarHBondContact N-O 3.4Å; V556-F568 PolarHBondContact O-N 3.3Å; L558-F568 HydrophobicContact CD1-CD2 3.75Å; L558-F568 HydrophobicContact CD1-CE2 3.93Å; M566-F568 HydrophobicContact CE-CD1 4.33Å; M566-F568 HydrophobicContact CE-CE1 3.42Å; M566-F568 VanDerWaalsContact CE-CE1 3.42Å; M566-F568 HydrophobicContact CE-CE2 3.83Å; M566-F568 HydrophobicContact CE-CZ 3.13Å; M566-F568 HydrophobicContact CG-CE2 4.26Å; M566-F568 HydrophobicContact CG-CZ 4.49Å; M566-F568 HydrophobicContact SD-CE1 4.42Å; M566-F568 HydrophobicContact SD-CE2 3.72Å; M566-F568 HydrophobicContact SD-CZ 3.6Å; M566-F568 VanDerWaalsContact SD-CZ 3.6Å; F568-C607 HydrophobicContact CD1-CB 3.71Å; F568-C607 HydrophobicContact CE1-CB 3.9Å; F568-L650 HydrophobicContact CD1-CD1 4.49Å; F568-L650 HydrophobicContact CE1-CD1 4.34Å |
| 569 | T | 95.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 131.5 | 179.2 | -62.3 | 0 | 0 | 0 | 0 | 108.9 | R553 M554 S555 V576 V605 A606 L647 | R553-T569 HydrophobicContact CB-CG2 4.36Å; M554-T569 WeakPolarHBondContact O-CA 3.28Å; S555-T569 WeakPolarHBondContact OG-CB 3.45Å; S555-T569 WeakPolarHBondContact OG-CG2 3.47Å; S555-T569 PolarHBondContact OG-OG1 3.01Å; T569-V576 HydrophobicContact CG2-CG2 4.33Å; T569-V605 WeakPolarHBondContact O-CA 3.46Å; T569-A606 PolarHBondContact N-O 3.19Å; T569-A606 PolarHBondContact O-N 3.4Å; T569-L647 HydrophobicContact CG2-CD1 4.15Å |
| 570 | K | 94.6 | Very high | 90.7 | Very high | 14 Ų | 14 | 33.3 Ų | 33.3 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 140.1 | 171.2 | 73.7 | -178 | -176.1 | -170.7 | 0 | 110.9 | C467 E506 R553 M554 V604 V605 | C467-K570 VanDerWaalsContact O-CD 3.27Å; C467-K570 WeakPolarHBondContact O-CD 3.24Å; C467-K570 WeakPolarHBondContact O-CE 3.31Å; C467-K570 PolarHBondContact O-NZ 3.2Å; E506-K570 VanDerWaalsContact CG-NZ 3.28Å; E506-K570 WeakPolarHBondContact OE1-CE 2.96Å; E506-K570 IonicContact OE1-NZ 2.85Å; E506-K570 PolarHBondContact OE1-NZ 3.14Å; E506-K570 IonicContact OE2-NZ 2.74Å; R553-K570 CarbonylContact C-O 3.43Å; R553-K570 VanDerWaalsContact CA-O 3.26Å; R553-K570 WeakPolarHBondContact CA-O 3.47Å; R553-K570 WeakPolarHBondContact CB-O 3.45Å; M554-K570 PolarHBondContact N-O 3.15Å; M554-K570 PolarHBondContact O-N 2.9Å; K570-V604 WeakPolarHBondContact CA-O 3.24Å; K570-V605 HydrophobicContact CB-CG2 4.42Å |
| 571 | G | 91.7 | Very high | 90.6 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.1 | -172 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R552 L603 V604 | R552-G571 VanDerWaalsContact O-CA 3.31Å; R552-G571 WeakPolarHBondContact O-CA 3.4Å; G571-L603 CarbonylContact O-C 3.37Å; G571-L603 WeakPolarHBondContact O-CA 3.29Å; G571-V604 PolarHBondContact N-O 2.95Å; G571-V604 PolarHBondContact O-N 3.49Å |
| 572 | A | 88.1 | Confident | 90.7 | Very high | 20 Ų | 20 | 35.6 Ų | 35.6 | 17% | 0.165 | 23% | 0.229 | C | C | . | . | trans | -63 | 148.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R552 S574 A575 V576 | R552-A572 HydrophobicContact CB-CB 4.19Å; R552-A572 PolarHBondContact O-N 3.48Å; A572-S574 VanDerWaalsContact C-N 3.32Å; A572-S574 PolarHBondContact O-N 3.1Å; A572-A575 HydrophobicContact CB-CB 4.23Å; A572-A575 PolarHBondContact O-N 2.95Å; A572-V576 PolarHBondContact O-N 3.09Å | ||
| 573 | E | 87.3 | Confident | 90.7 | Very high | 59 Ų | 59 | 32 Ų | 32 | 28% | 0.276 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -54.9 | -46.2 | 178 | 70.2 | -53.9 | 120.9 | 0 | 0 | 112.2 | A575 V576 L577 V592 T602 V604 | E573-A575 PolarHBondContact O-N 3.15Å; E573-A575 VanDerWaalsContact O-N 3.16Å; E573-V576 PolarHBondContact O-N 2.82Å; E573-L577 HydrophobicContact CB-CD1 3.89Å; E573-L577 HydrophobicContact CB-CG 4.45Å; E573-L577 VanDerWaalsContact O-CB 3.23Å; E573-L577 WeakPolarHBondContact O-CB 3.26Å; E573-L577 VanDerWaalsContact O-CG 3.26Å; E573-L577 WeakPolarHBondContact O-CG 3.44Å; E573-L577 PolarHBondContact O-N 3.43Å; E573-V592 HydrophobicContact CB-CG1 3.9Å; E573-V592 HydrophobicContact CG-CG1 3.92Å; E573-T602 PolarHBondContact OE2-OG1 3.13Å; E573-V604 HydrophobicContact CB-CG2 3.76Å |
| 574 | S | 84.9 | Confident | 91 | Very high | 64 Ų | 64 | 33.8 Ų | 33.8 | 45% | 0.448 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.7 | -18.4 | 175.3 | 46.6 | 0 | 0 | 0 | 0 | 114.6 | A572 P578 | A572-S574 VanDerWaalsContact C-N 3.32Å; A572-S574 PolarHBondContact O-N 3.1Å; S574-P578 WeakPolarHBondContact O-CD 3.28Å; S574-P578 WeakPolarHBondContact O-CG 3.49Å |
| 575 | A | 88.3 | Confident | 91 | Very high | 10 Ų | 10 | 34.5 Ų | 34.5 | 8% | 0.083 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -107 | -16.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | R552 R553 A572 E573 F579 | R552-A575 HydrophobicContact CB-CB 3.81Å; R553-A575 PolarHBondContact NH1-O 2.77Å; A572-A575 HydrophobicContact CB-CB 4.23Å; A572-A575 PolarHBondContact O-N 2.95Å; E573-A575 PolarHBondContact O-N 3.15Å; E573-A575 VanDerWaalsContact O-N 3.16Å; A575-F579 VanDerWaalsContact O-CD2 3.24Å; A575-F579 WeakPolarHBondContact O-CD2 3.18Å; A575-F579 WeakPolarHBondContact O-CE2 3.38Å |
| 576 | V | 91.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -110.7 | -45.4 | -178.8 | -178.8 | 0 | 0 | 0 | 0 | 111.2 | R553 T569 A572 E573 P578 F579 T580 V604 A606 L647 | R553-V576 HydrophobicContact CB-CG2 4.22Å; T569-V576 HydrophobicContact CG2-CG2 4.33Å; A572-V576 PolarHBondContact O-N 3.09Å; E573-V576 PolarHBondContact O-N 2.82Å; V576-P578 VanDerWaalsContact C-CD 3.42Å; V576-P578 VanDerWaalsContact C-N 3.34Å; V576-F579 PolarHBondContact O-N 3.22Å; V576-T580 HydrophobicContact CG1-CG2 4.19Å; V576-T580 PolarHBondContact O-N 2.89Å; V576-V604 HydrophobicContact CB-CB 4.14Å; V576-V604 HydrophobicContact CB-CG1 4.1Å; V576-V604 HydrophobicContact CG1-CB 4.32Å; V576-V604 HydrophobicContact CG1-CG1 3.81Å; V576-A606 HydrophobicContact CG1-CB 3.96Å; V576-L647 HydrophobicContact CG1-CD1 4.19Å |
| 577 | L | 89.9 | Confident | 90.7 | Very high | 26 Ų | 26 | 43.4 Ų | 43.4 | 14% | 0.136 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -56.8 | -36.4 | -177.9 | -64.6 | 174.6 | 0 | 0 | 0 | 114.2 | E573 F579 T580 I585 V604 L649 | E573-L577 HydrophobicContact CB-CD1 3.89Å; E573-L577 HydrophobicContact CB-CG 4.45Å; E573-L577 VanDerWaalsContact O-CB 3.23Å; E573-L577 WeakPolarHBondContact O-CB 3.26Å; E573-L577 VanDerWaalsContact O-CG 3.26Å; E573-L577 WeakPolarHBondContact O-CG 3.44Å; E573-L577 PolarHBondContact O-N 3.43Å; L577-F579 PolarHBondContact O-N 3.11Å; L577-F579 VanDerWaalsContact O-N 3.16Å; L577-T580 PolarHBondContact O-N 3.24Å; L577-T580 PolarHBondContact O-OG1 3.39Å; L577-I585 HydrophobicContact CD2-CG2 4.38Å; L577-V604 HydrophobicContact CD2-CG1 4.01Å; L577-V604 HydrophobicContact CD2-CG2 4.33Å; L577-V604 HydrophobicContact CG-CG1 4.49Å; L577-V604 HydrophobicContact CG-CG2 4.27Å; L577-L649 HydrophobicContact CD2-CD1 4.34Å; L577-L649 HydrophobicContact CD2-CD2 4.37Å |
| 578 | P | 91.1 | Very high | 90.5 | Very high | 89 Ų | 89 | 43.5 Ų | 43.5 | 58% | 0.578 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -63.3 | -20.9 | 176.7 | -25 | 36 | 0 | 0 | 0 | 114.5 | S574 V576 | S574-P578 WeakPolarHBondContact O-CD 3.28Å; S574-P578 WeakPolarHBondContact O-CG 3.49Å; V576-P578 VanDerWaalsContact C-CD 3.42Å; V576-P578 VanDerWaalsContact C-N 3.34Å |
| 579 | F | 90.9 | Very high | 90.1 | Very high | 63 Ų | 63 | 50 Ų | 50 | 28% | 0.276 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -103.4 | -2.3 | -177.9 | -56 | -75.9 | 0 | 0 | 0 | 112.7 | A575 V576 L577 E644 H646 L647 | A575-F579 VanDerWaalsContact O-CD2 3.24Å; A575-F579 WeakPolarHBondContact O-CD2 3.18Å; A575-F579 WeakPolarHBondContact O-CE2 3.38Å; V576-F579 PolarHBondContact O-N 3.22Å; L577-F579 PolarHBondContact O-N 3.11Å; L577-F579 VanDerWaalsContact O-N 3.16Å; F579-E644 WeakPolarHBondContact CB-O 3.02Å; F579-H646 PolarHBondContact O-N 3.4Å; F579-L647 HydrophobicContact CB-CD1 4.22Å; F579-L647 PolarHBondContact O-N 3.28Å |
| 580 | T | 91.1 | Very high | 89.9 | Confident | 12 Ų | 12 | 55.5 Ų | 55.5 | 7% | 0.074 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 129 | 175.7 | 53.1 | 0 | 0 | 0 | 0 | 111.2 | V576 L577 A606 L647 L649 | V576-T580 HydrophobicContact CG1-CG2 4.19Å; V576-T580 PolarHBondContact O-N 2.89Å; L577-T580 PolarHBondContact O-N 3.24Å; L577-T580 PolarHBondContact O-OG1 3.39Å; T580-A606 HydrophobicContact CG2-CB 4.09Å; T580-L647 CarbonylContact C-O 3.49Å; T580-L647 WeakPolarHBondContact CA-O 3.29Å; T580-L647 HydrophobicContact CG2-CB 3.96Å; T580-L649 HydrophobicContact CG2-CB 4.08Å; T580-L649 HydrophobicContact CG2-CD1 4.48Å |
| 581 | T | 89.8 | Confident | 89.8 | Confident | 83 Ų | 83 | 56.3 Ų | 56.3 | 51% | 0.509 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | -18.5 | -179.2 | 50.7 | 0 | 0 | 0 | 0 | 113.9 | H646 L647 | T581-H646 HydrophobicContact CG2-CB 4.4Å; T581-L647 PolarHBondContact N-O 3.23Å |
| 582 | T | 87.4 | Confident | 89.6 | Confident | 68 Ų | 68 | 56.3 Ų | 56.3 | 42% | 0.417 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 154 | -174.2 | 51.5 | 0 | 0 | 0 | 0 | 110.6 | H648 L649 | T582-H648 VanDerWaalsContact CB-ND1 3.35Å; T582-H648 WeakPolarHBondContact CB-ND1 3.38Å; T582-H648 WeakPolarHBondContact OG1-CA 3.47Å; T582-H648 WeakPolarHBondContact OG1-CB 3.4Å; T582-H648 PolarHBondContact OG1-ND1 3.11Å; T582-L649 PolarHBondContact O-N 3.48Å |
| 583 | G | 88 | Confident | 89.4 | Confident | 35 Ų | 35 | 59.3 Ų | 59.3 | 36% | 0.361 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 103.2 | 176.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | I585 | G583-I585 PolarHBondContact O-N 2.91Š|
| 584 | E | 90.9 | Very high | 89.3 | Confident | 77 Ų | 77 | 59.3 Ų | 59.3 | 36% | 0.36 | 31% | 0.314 | S | S | . | . | trans | -80.7 | 74.2 | -177.6 | -73.5 | -73.3 | 150.6 | 0 | 0 | 112.5 | N425 K587 T588 | N425-E584 WeakPolarHBondContact OD1-CG 3.31Å; E584-K587 WeakPolarHBondContact OE2-CD 3.37Å; E584-K587 IonicContact OE2-NZ 3.39Å; E584-K587 PolarHBondContact OE2-NZ 3Å; E584-T588 VanDerWaalsContact O-CB 3.27Å; E584-T588 WeakPolarHBondContact O-CB 3.37Å; E584-T588 PolarHBondContact O-N 3.28Å; E584-T588 PolarHBondContact O-OG1 2.76Å | ||
| 585 | I | 90.6 | Very high | 89.4 | Confident | 46 Ų | 46 | 56.3 Ų | 56.3 | 24% | 0.236 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.6 | -49.9 | -173.8 | -60.7 | 168.2 | 0 | 0 | 0 | 112.4 | L577 G583 T588 R589 L649 | L577-I585 HydrophobicContact CD2-CG2 4.38Å; G583-I585 PolarHBondContact O-N 2.91Å; I585-T588 PolarHBondContact O-N 2.62Å; I585-R589 WeakPolarHBondContact O-CB 3.48Å; I585-R589 PolarHBondContact O-N 2.98Å; I585-L649 HydrophobicContact CB-CD2 4.28Å; I585-L649 HydrophobicContact CG1-CB 4.47Å; I585-L649 HydrophobicContact CG1-CD2 3.9Å |
| 586 | E | 89.4 | Confident | 88.8 | Confident | 135 Ų | 135 | 58.1 Ų | 58.1 | 63% | 0.631 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -64.5 | -47.6 | -174.3 | -71.2 | -61.8 | 145.2 | 0 | 0 | 112.7 | T588 R589 L590 | E586-T588 PolarHBondContact O-N 2.87Å; E586-R589 WeakPolarHBondContact O-CB 3.21Å; E586-R589 PolarHBondContact O-N 3.42Å; E586-L590 PolarHBondContact O-N 3.01Å; E586-L590 VanDerWaalsContact O-N 3.11Å |
| 587 | K | 91.5 | Very high | 87.8 | Confident | 107 Ų | 107 | 64.9 Ų | 64.9 | 47% | 0.465 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 176.8 | -70.6 | -179 | -172.8 | 154.6 | 0 | 112 | E584 R589 L590 H591 | E584-K587 WeakPolarHBondContact OE2-CD 3.37Å; E584-K587 IonicContact OE2-NZ 3.39Å; E584-K587 PolarHBondContact OE2-NZ 3Å; K587-R589 VanDerWaalsContact C-N 3.28Å; K587-R589 PolarHBondContact O-N 3.19Å; K587-L590 PolarHBondContact O-N 3.04Å; K587-H591 PolarHBondContact O-N 3.42Å |
| 588 | T | 90.9 | Very high | 87.1 | Confident | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.006 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.3 | -36.5 | 178.7 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | E584 I585 E586 H591 V592 L649 A652 | E584-T588 VanDerWaalsContact O-CB 3.27Å; E584-T588 WeakPolarHBondContact O-CB 3.37Å; E584-T588 PolarHBondContact O-N 3.28Å; E584-T588 PolarHBondContact O-OG1 2.76Å; I585-T588 PolarHBondContact O-N 2.62Å; E586-T588 PolarHBondContact O-N 2.87Å; T588-H591 PolarHBondContact O-N 3.39Å; T588-V592 HydrophobicContact CG2-CG2 4.43Å; T588-V592 VanDerWaalsContact O-CG2 3.29Å; T588-V592 WeakPolarHBondContact O-CG2 3.41Å; T588-V592 PolarHBondContact O-N 3.37Å; T588-L649 HydrophobicContact CG2-CD2 4.17Å; T588-A652 HydrophobicContact CG2-CB 3.78Å |
| 589 | R | 89.4 | Confident | 86.2 | Confident | 137 Ų | 137 | 63.8 Ų | 63.8 | 52% | 0.517 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 174.4 | -174.7 | 178.6 | -179.4 | 151.9 | 2 | 111.9 | I585 E586 K587 H591 V592 D593 | I585-R589 WeakPolarHBondContact O-CB 3.48Å; I585-R589 PolarHBondContact O-N 2.98Å; E586-R589 WeakPolarHBondContact O-CB 3.21Å; E586-R589 PolarHBondContact O-N 3.42Å; K587-R589 VanDerWaalsContact C-N 3.28Å; K587-R589 PolarHBondContact O-N 3.19Å; R589-H591 VanDerWaalsContact C-N 3.32Å; R589-H591 PolarHBondContact O-N 3.33Å; R589-V592 WeakPolarHBondContact O-CB 3.44Å; R589-V592 PolarHBondContact O-N 3.48Å; R589-D593 PolarHBondContact O-N 3.29Å |
| 590 | L | 90.8 | Very high | 85.9 | Confident | 116 Ų | 116 | 61.6 Ų | 61.6 | 61% | 0.607 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -59.6 | -41.8 | 174.9 | -68.2 | 171.4 | 0 | 0 | 0 | 112 | E586 K587 D593 E594 | E586-L590 PolarHBondContact O-N 3.01Å; E586-L590 VanDerWaalsContact O-N 3.11Å; K587-L590 PolarHBondContact O-N 3.04Å; L590-D593 PolarHBondContact O-N 2.69Å; L590-E594 PolarHBondContact O-N 2.94Å |
| 591 | H | 92.1 | Very high | 85.6 | Confident | 32 Ų | 32 | 63.6 Ų | 63.6 | 15% | 0.148 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.7 | -38.4 | 176.2 | -64.1 | 165.6 | 0 | 0 | 0 | 112.8 | S423 G426 K587 T588 R589 D593 E594 F595 | S423-H591 WeakPolarHBondContact CB-ND1 3.47Å; S423-H591 PolarHBondContact OG-ND1 3.37Å; G426-H591 PolarHBondContact O-CE1 3.43Å; G426-H591 VanDerWaalsContact O-CE1 3.29Å; K587-H591 PolarHBondContact O-N 3.42Å; T588-H591 PolarHBondContact O-N 3.39Å; R589-H591 VanDerWaalsContact C-N 3.32Å; R589-H591 PolarHBondContact O-N 3.33Å; H591-D593 VanDerWaalsContact C-N 3.34Å; H591-E594 PolarHBondContact O-N 3.22Å; H591-F595 HydrophobicContact CB-CE2 4.35Å; H591-F595 HydrophobicContact CB-CZ 4.35Å; H591-F595 WeakPolarHBondContact O-CB 3.49Å; H591-F595 WeakPolarHBondContact O-CD1 3.14Å; H591-F595 WeakPolarHBondContact O-CD2 3.48Å; H591-F595 WeakPolarHBondContact O-CG 3.34Å; H591-F595 PolarHBondContact O-N 3.14Å |
| 592 | V | 87.4 | Confident | 85.5 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.018 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 174.3 | 164.6 | 0 | 0 | 0 | 0 | 110.6 | E573 T588 R589 E594 F595 A596 T602 V604 A652 | E573-V592 HydrophobicContact CB-CG1 3.9Å; E573-V592 HydrophobicContact CG-CG1 3.92Å; T588-V592 HydrophobicContact CG2-CG2 4.43Å; T588-V592 VanDerWaalsContact O-CG2 3.29Å; T588-V592 WeakPolarHBondContact O-CG2 3.41Å; T588-V592 PolarHBondContact O-N 3.37Å; R589-V592 WeakPolarHBondContact O-CB 3.44Å; R589-V592 PolarHBondContact O-N 3.48Å; V592-E594 VanDerWaalsContact C-N 3.31Å; V592-E594 PolarHBondContact O-N 2.95Å; V592-F595 PolarHBondContact O-N 3.29Å; V592-A596 WeakPolarHBondContact O-CB 3.33Å; V592-A596 PolarHBondContact O-N 2.98Å; V592-T602 HydrophobicContact CG1-CG2 4.05Å; V592-V604 HydrophobicContact CG2-CG2 4.4Å; V592-A652 HydrophobicContact CG2-CB 3.49Å; V592-A652 VanDerWaalsContact CG2-CB 3.49Å |
| 593 | D | 83.4 | Confident | 85.8 | Confident | 82 Ų | 82 | 59.1 Ų | 59.1 | 44% | 0.439 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62 | -40.2 | 176.3 | -67.3 | -24 | 0 | 0 | 0 | 111 | R589 L590 H591 A596 L597 | R589-D593 PolarHBondContact O-N 3.29Å; L590-D593 PolarHBondContact O-N 2.69Å; H591-D593 VanDerWaalsContact C-N 3.34Å; D593-A596 PolarHBondContact O-N 3.3Å; D593-L597 VanDerWaalsContact O-CG 3.29Å; D593-L597 WeakPolarHBondContact O-CG 3.3Å; D593-L597 PolarHBondContact O-N 3.47Å |
| 594 | E | 85.9 | Confident | 86.1 | Confident | 60 Ų | 60 | 57.5 Ų | 57.5 | 28% | 0.28 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.1 | -42.6 | 174.7 | -167.4 | -165.4 | 134 | 0 | 0 | 113.2 | K428 L590 H591 V592 A596 L597 K598 | K428-E594 WeakPolarHBondContact CE-OE2 3.21Å; K428-E594 IonicContact NZ-OE1 3.48Å; K428-E594 PolarHBondContact NZ-OE1 2.64Å; K428-E594 IonicContact NZ-OE2 2.68Å; K428-E594 PolarHBondContact NZ-OE2 3.16Å; L590-E594 PolarHBondContact O-N 2.94Å; H591-E594 PolarHBondContact O-N 3.22Å; V592-E594 VanDerWaalsContact C-N 3.31Å; V592-E594 PolarHBondContact O-N 2.95Å; E594-A596 VanDerWaalsContact C-N 3.3Å; E594-A596 PolarHBondContact O-N 2.95Å; E594-L597 WeakPolarHBondContact O-CB 3.24Å; E594-L597 PolarHBondContact O-N 3.45Å; E594-K598 PolarHBondContact O-N 3.5Å; E594-K598 WeakPolarHBondContact OE1-CE 3.38Å; E594-K598 IonicContact OE1-NZ 2.76Å; E594-K598 PolarHBondContact OE1-NZ 2.96Å |
| 595 | F | 86.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 174.8 | -66 | -21.7 | 0 | 0 | 0 | 110.9 | E421 K428 H591 V592 L597 K598 G599 L600 T602 | E421-F595 HydrophobicContact CB-CD1 4.11Å; E421-F595 HydrophobicContact CB-CE1 3.54Å; E421-F595 HydrophobicContact CB-CZ 3.93Å; E421-F595 HydrophobicContact CG-CE1 4.43Å; E421-F595 WeakPolarHBondContact OE2-CD1 3.17Å; E421-F595 VanDerWaalsContact OE2-CE1 3.25Å; E421-F595 WeakPolarHBondContact OE2-CE1 3.42Å; K428-F595 HydrophobicContact CD-CE1 3.79Å; K428-F595 HydrophobicContact CD-CZ 4.29Å; K428-F595 HydrophobicContact CG-CE1 3.88Å; K428-F595 HydrophobicContact CG-CZ 3.87Å; H591-F595 HydrophobicContact CB-CE2 4.35Å; H591-F595 HydrophobicContact CB-CZ 4.35Å; H591-F595 WeakPolarHBondContact O-CB 3.49Å; H591-F595 WeakPolarHBondContact O-CD1 3.14Å; H591-F595 WeakPolarHBondContact O-CD2 3.48Å; H591-F595 WeakPolarHBondContact O-CG 3.34Å; H591-F595 PolarHBondContact O-N 3.14Å; V592-F595 PolarHBondContact O-N 3.29Å; F595-L597 VanDerWaalsContact C-N 3.33Å; F595-L597 PolarHBondContact O-N 2.9Å; F595-K598 CarbonylContact O-C 3.55Å; F595-K598 PolarHBondContact O-N 3.44Å; F595-G599 PolarHBondContact O-N 3.18Å; F595-L600 HydrophobicContact CB-CB 4.19Å; F595-L600 HydrophobicContact CB-CD1 4.25Å; F595-L600 HydrophobicContact CD1-CD1 4.16Å; F595-L600 HydrophobicContact CG-CD1 4.37Å; F595-L600 WeakPolarHBondContact O-CB 3.48Å; F595-L600 PolarHBondContact O-N 3.33Å; F595-T602 HydrophobicContact CB-CG2 3.5Å; F595-T602 VanDerWaalsContact CB-CG2 3.5Å; F595-T602 HydrophobicContact CD2-CG2 4.18Å; F595-T602 HydrophobicContact CG-CG2 4.37Å |
| 596 | A | 76 | Confident | 86.6 | Confident | 49 Ų | 49 | 51.8 Ų | 51.8 | 41% | 0.405 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V592 D593 E594 K598 G599 | V592-A596 WeakPolarHBondContact O-CB 3.33Å; V592-A596 PolarHBondContact O-N 2.98Å; D593-A596 PolarHBondContact O-N 3.3Å; E594-A596 VanDerWaalsContact C-N 3.3Å; E594-A596 PolarHBondContact O-N 2.95Å; A596-K598 VanDerWaalsContact C-N 3.31Å; A596-K598 PolarHBondContact O-N 2.82Å; A596-G599 WeakPolarHBondContact O-CA 3.3Å; A596-G599 PolarHBondContact O-N 2.97Å |
| 597 | L | 70.3 | Confident | 86.8 | Confident | 141 Ų | 141 | 45.5 Ų | 45.5 | 74% | 0.738 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -64.7 | -31.1 | 174.4 | -74.1 | 169.8 | 0 | 0 | 0 | 113.4 | D593 E594 F595 G599 | D593-L597 VanDerWaalsContact O-CG 3.29Å; D593-L597 WeakPolarHBondContact O-CG 3.3Å; D593-L597 PolarHBondContact O-N 3.47Å; E594-L597 WeakPolarHBondContact O-CB 3.24Å; E594-L597 PolarHBondContact O-N 3.45Å; F595-L597 VanDerWaalsContact C-N 3.33Å; F595-L597 PolarHBondContact O-N 2.9Å; L597-G599 PolarHBondContact O-N 2.94Å |
| 598 | K | 74.8 | Confident | 86.9 | Confident | 80 Ų | 80 | 42.1 Ų | 42.1 | 35% | 0.348 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -5.4 | 171.4 | -72 | 169.2 | 171.4 | 166.2 | 0 | 113 | E421 E594 F595 A596 L600 | E421-K598 IonicContact OE1-NZ 3.35Å; E421-K598 PolarHBondContact OE1-NZ 2.79Å; E421-K598 IonicContact OE2-NZ 3.69Å; E421-K598 PolarHBondContact OE2-NZ 3.01Å; E594-K598 PolarHBondContact O-N 3.5Å; E594-K598 WeakPolarHBondContact OE1-CE 3.38Å; E594-K598 IonicContact OE1-NZ 2.76Å; E594-K598 PolarHBondContact OE1-NZ 2.96Å; F595-K598 CarbonylContact O-C 3.55Å; F595-K598 PolarHBondContact O-N 3.44Å; A596-K598 VanDerWaalsContact C-N 3.31Å; A596-K598 PolarHBondContact O-N 2.82Å; K598-L600 HydrophobicContact CB-CD1 4.48Å; K598-L600 HydrophobicContact CB-CG 4.2Å |
| 599 | G | 73.3 | Confident | 87 | Confident | 13 Ų | 13 | 47.8 Ų | 47.8 | 13% | 0.134 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | 13.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | F595 A596 L597 S690 | F595-G599 PolarHBondContact O-N 3.18Å; A596-G599 WeakPolarHBondContact O-CA 3.3Å; A596-G599 PolarHBondContact O-N 2.97Å; L597-G599 PolarHBondContact O-N 2.94Å; G599-S690 VanDerWaalsContact C-OG 3.28Å; G599-S690 WeakPolarHBondContact CA-OG 3.38Å; G599-S690 PolarHBondContact O-OG 3.06Å |
| 600 | L | 83.3 | Confident | 87.2 | Confident | 16 Ų | 16 | 42 Ų | 42 | 8% | 0.084 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -78.6 | 140.7 | 176.3 | -54.2 | 177.5 | 0 | 0 | 0 | 110.3 | R420 E421 F595 K598 T602 E656 | R420-L600 HydrophobicContact CB-CD2 4.25Å; R420-L600 HydrophobicContact CG-CD2 4.36Å; E421-L600 HydrophobicContact CB-CD1 4.08Å; E421-L600 HydrophobicContact CG-CD1 4.11Å; F595-L600 HydrophobicContact CB-CB 4.19Å; F595-L600 HydrophobicContact CB-CD1 4.25Å; F595-L600 HydrophobicContact CD1-CD1 4.16Å; F595-L600 HydrophobicContact CG-CD1 4.37Å; F595-L600 WeakPolarHBondContact O-CB 3.48Å; F595-L600 PolarHBondContact O-N 3.33Å; K598-L600 HydrophobicContact CB-CD1 4.48Å; K598-L600 HydrophobicContact CB-CG 4.2Å; L600-T602 PolarHBondContact O-N 3.2Å; L600-E656 HydrophobicContact CD2-CB 3.67Å; L600-E656 HydrophobicContact CD2-CG 4.22Å |
| 601 | R | 84.8 | Confident | 87.2 | Confident | 55 Ų | 55 | 39.1 Ų | 39.1 | 21% | 0.208 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 122.4 | 169.7 | -61.5 | -178.6 | -178.7 | -169.3 | 1.6 | 109.2 | D505 G654 V655 D657 | D505-R601 IonicContact OD1-NH1 3.04Å; D505-R601 PolarHBondContact OD1-NH1 3.42Å; D505-R601 IonicContact OD2-NH1 3.87Å; R601-G654 WeakPolarHBondContact O-CA 3.27Å; R601-V655 HydrophobicContact CB-CB 4.48Å; R601-V655 WeakPolarHBondContact CB-O 3.48Å; R601-V655 PolarHBondContact N-O 3.4Å; R601-V655 PolarHBondContact O-N 3.15Å; R601-D657 IonicContact CZ-OD2 3.45Å; R601-D657 IonicContact NH2-OD2 3Å; R601-D657 PolarHBondContact NH2-OD2 3.39Å |
| 602 | T | 88.8 | Confident | 87 | Confident | 21 Ų | 21 | 42 Ų | 42 | 13% | 0.129 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 132.2 | -176.3 | 50.5 | 0 | 0 | 0 | 0 | 111.9 | E573 V592 F595 L600 T653 | E573-T602 PolarHBondContact OE2-OG1 3.13Å; V592-T602 HydrophobicContact CG1-CG2 4.05Å; F595-T602 HydrophobicContact CB-CG2 3.5Å; F595-T602 VanDerWaalsContact CB-CG2 3.5Å; F595-T602 HydrophobicContact CD2-CG2 4.18Å; F595-T602 HydrophobicContact CG-CG2 4.37Å; L600-T602 PolarHBondContact O-N 3.2Å; T602-T653 VanDerWaalsContact CA-O 3.27Å; T602-T653 WeakPolarHBondContact CA-O 3.36Å |
| 603 | L | 92.5 | Very high | 87 | Confident | 36 Ų | 36 | 50.6 Ų | 50.6 | 19% | 0.188 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 131.4 | 168.6 | -64.6 | 168.5 | 0 | 0 | 0 | 109.2 | L509 G571 A652 T653 | L509-L603 HydrophobicContact CD1-CD1 3.99Å; G571-L603 CarbonylContact O-C 3.37Å; G571-L603 WeakPolarHBondContact O-CA 3.29Å; L603-A652 CarbonylContact O-C 3.51Å; L603-A652 WeakPolarHBondContact O-CA 3.38Å; L603-T653 WeakPolarHBondContact CB-OG1 3.45Å; L603-T653 PolarHBondContact N-O 3.03Å; L603-T653 PolarHBondContact O-N 3.42Å; L603-T653 PolarHBondContact O-OG1 3.13Å |
| 604 | V | 94.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 134.4 | 176 | 177.7 | 0 | 0 | 0 | 0 | 108.9 | K570 G571 E573 V576 L577 V592 L649 A652 | K570-V604 WeakPolarHBondContact CA-O 3.24Å; G571-V604 PolarHBondContact N-O 2.95Å; G571-V604 PolarHBondContact O-N 3.49Å; E573-V604 HydrophobicContact CB-CG2 3.76Å; V576-V604 HydrophobicContact CB-CB 4.14Å; V576-V604 HydrophobicContact CB-CG1 4.1Å; V576-V604 HydrophobicContact CG1-CB 4.32Å; V576-V604 HydrophobicContact CG1-CG1 3.81Å; L577-V604 HydrophobicContact CD2-CG1 4.01Å; L577-V604 HydrophobicContact CD2-CG2 4.33Å; L577-V604 HydrophobicContact CG-CG1 4.49Å; L577-V604 HydrophobicContact CG-CG2 4.27Å; V592-V604 HydrophobicContact CG2-CG2 4.4Å; V604-L649 HydrophobicContact CG1-CD1 3.35Å; V604-A652 HydrophobicContact CG2-CB 4.29Å |
| 605 | V | 95.8 | Very high | 87.7 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.024 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 127.9 | -179.2 | -172.4 | 0 | 0 | 0 | 0 | 108.9 | F460 A463 V464 T569 K570 L650 G651 T653 | F460-V605 HydrophobicContact CD2-CB 4.26Å; F460-V605 HydrophobicContact CE2-CB 3.9Å; F460-V605 HydrophobicContact CE2-CG2 3.96Å; A463-V605 HydrophobicContact CB-CG1 3.77Å; V464-V605 HydrophobicContact CG2-CG2 4.1Å; T569-V605 WeakPolarHBondContact O-CA 3.46Å; K570-V605 HydrophobicContact CB-CG2 4.42Å; V605-L650 HydrophobicContact CG1-CD1 4.39Å; V605-L650 PolarHBondContact O-N 2.98Å; V605-G651 PolarHBondContact N-O 3.27Å; V605-G651 PolarHBondContact O-N 3.04Å; V605-T653 HydrophobicContact CG2-CG2 4.32Å |
| 606 | A | 95.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 161.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | T569 V576 T580 L647 H648 | T569-A606 PolarHBondContact N-O 3.19Å; T569-A606 PolarHBondContact O-N 3.4Å; V576-A606 HydrophobicContact CG1-CB 3.96Å; T580-A606 HydrophobicContact CG2-CB 4.09Å; A606-L647 HydrophobicContact CB-CB 3.92Å; A606-L647 HydrophobicContact CB-CD1 4.26Å; A606-H648 CarbonylContact C-O 3.6Å; A606-H648 VanDerWaalsContact CA-O 3.24Å; A606-H648 WeakPolarHBondContact CA-O 3.48Å; A606-H648 WeakPolarHBondContact CB-O 3.21Å |
| 607 | C | 95 | Very high | 88.7 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.014 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 162.3 | 176.7 | 75.3 | 0 | 0 | 0 | 0 | 112.2 | L567 F568 H648 L650 | L567-C607 CarbonylContact O-C 3.52Å; L567-C607 WeakPolarHBondContact O-CA 3.41Å; L567-C607 WeakPolarHBondContact O-CB 2.99Å; F568-C607 HydrophobicContact CD1-CB 3.71Å; F568-C607 HydrophobicContact CE1-CB 3.9Å; C607-H648 PolarHBondContact N-O 3Å; C607-H648 WeakPolarHBondContact O-CA 3.32Å; C607-H648 WeakPolarHBondContact O-CB 3.32Å; C607-H648 PolarHBondContact O-N 3.18Å; C607-L650 HydrophobicContact CB-CD1 3.93Å; C607-L650 HydrophobicContact CB-CG 4.3Å |
| 608 | R | 94.2 | Very high | 89.7 | Confident | 37 Ų | 37 | 47.4 Ų | 47.4 | 14% | 0.14 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 137.9 | 171 | -179.7 | 177.1 | 178 | -177 | 5.5 | 109.6 | M566 L567 F610 E614 I643 N645 L647 | M566-R608 CarbonylContact C-O 3.24Å; M566-R608 WeakPolarHBondContact CA-O 3.41Å; L567-R608 HydrophobicContact CB-CB 4.18Å; L567-R608 HydrophobicContact CD2-CB 4.33Å; L567-R608 PolarHBondContact N-O 3.49Å; L567-R608 PolarHBondContact O-N 2.92Å; R608-F610 HydrophobicContact CG-CE1 4.39Å; R608-E614 IonicContact CZ-OE1 2.64Å; R608-E614 IonicContact NE-OE1 2.72Å; R608-E614 IonicContact NH2-OE1 2.73Å; R608-E614 PolarHBondContact NH2-OE1 3.01Å; R608-I643 PolarHBondContact NH1-O 3.29Å; R608-N645 WeakPolarHBondContact CD-O 3.33Å; R608-N645 VanDerWaalsContact CZ-O 3.3Å; R608-N645 PolarHBondContact NH1-O 3.46Å; R608-L647 HydrophobicContact CB-CD2 4.05Å |
| 609 | H | 92.4 | Very high | 90.4 | Very high | 119 Ų | 119 | 46.6 Ų | 46.6 | 55% | 0.551 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 135.2 | 172.7 | -67.3 | 87 | 0 | 0 | 0 | 109.3 | ||
| 610 | F | 92.6 | Very high | 91.3 | Very high | 15 Ų | 15 | 53.2 Ų | 53.2 | 7% | 0.066 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 138.7 | 177.3 | -62.8 | -64.5 | 0 | 0 | 0 | 111 | I557 K565 L567 R608 E614 Y615 V618 I643 | I557-F610 HydrophobicContact CD1-CE2 4.34Å; I557-F610 HydrophobicContact CG1-CE2 4.3Å; I557-F610 HydrophobicContact CG2-CD2 4.45Å; I557-F610 HydrophobicContact CG2-CE2 4.11Å; K565-F610 HydrophobicContact CB-CB 4.33Å; K565-F610 PolarHBondContact O-N 3.46Å; L567-F610 HydrophobicContact CB-CE2 3.63Å; L567-F610 HydrophobicContact CB-CZ 3.79Å; L567-F610 HydrophobicContact CD2-CZ 4.2Å; L567-F610 HydrophobicContact CG-CZ 4.42Å; R608-F610 HydrophobicContact CG-CE1 4.39Å; F610-E614 HydrophobicContact CD1-CG 4Å; F610-Y615 HydrophobicContact CD2-CD2 4.47Å; F610-V618 HydrophobicContact CE1-CG2 4.23Å; F610-I643 HydrophobicContact CZ-CG2 3.94Å |
| 611 | S | 91.3 | Very high | 91.6 | Very high | 57 Ų | 57 | 57.1 Ų | 57.1 | 40% | 0.399 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 153.7 | 162.5 | 72.9 | 0 | 0 | 0 | 0 | 110.3 | K613 E614 Y615 | S611-K613 PolarHBondContact O-N 3.34Å; S611-K613 VanDerWaalsContact O-N 3.16Å; S611-E614 PolarHBondContact N-OE2 2.95Å; S611-E614 PolarHBondContact O-N 3.14Å; S611-E614 VanDerWaalsContact O-N 3.11Å; S611-E614 WeakPolarHBondContact OG-CB 3.41Å; S611-E614 PolarHBondContact OG-N 2.91Å; S611-Y615 PolarHBondContact O-N 2.92Å |
| 612 | P | 87.3 | Confident | 91.7 | Very high | 93 Ų | 93 | 54.5 Ų | 54.5 | 60% | 0.604 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -55.3 | -35.1 | 178.2 | -27.6 | 34.9 | 0 | 0 | 0 | 113.8 | I616 | P612-I616 WeakPolarHBondContact O-CD1 3.49Å; P612-I616 WeakPolarHBondContact O-CG1 3.34Å; P612-I616 PolarHBondContact O-N 2.84Å |
| 613 | K | 89.3 | Confident | 91.4 | Very high | 183 Ų | 183 | 58.7 Ų | 58.7 | 80% | 0.796 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -70.5 | -41.4 | 178 | -67 | -178.2 | 179.5 | 178.2 | 0 | 112.3 | S611 I616 D617 | S611-K613 PolarHBondContact O-N 3.34Å; S611-K613 VanDerWaalsContact O-N 3.16Å; K613-I616 PolarHBondContact O-N 2.82Å; K613-D617 PolarHBondContact O-N 2.88Å |
| 614 | E | 91 | Very high | 91 | Very high | 60 Ų | 60 | 60.4 Ų | 60.4 | 28% | 0.28 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.6 | -41.9 | 179.3 | -176.5 | 179 | -160 | 0 | 0 | 111.4 | R608 F610 S611 I616 D617 V618 | R608-E614 IonicContact CZ-OE1 2.64Å; R608-E614 IonicContact NE-OE1 2.72Å; R608-E614 IonicContact NH2-OE1 2.73Å; R608-E614 PolarHBondContact NH2-OE1 3.01Å; F610-E614 HydrophobicContact CD1-CG 4Å; S611-E614 PolarHBondContact N-OE2 2.95Å; S611-E614 PolarHBondContact O-N 3.14Å; S611-E614 VanDerWaalsContact O-N 3.11Å; S611-E614 WeakPolarHBondContact OG-CB 3.41Å; S611-E614 PolarHBondContact OG-N 2.91Å; E614-I616 VanDerWaalsContact C-N 3.31Å; E614-I616 PolarHBondContact O-N 3.45Å; E614-D617 PolarHBondContact O-N 3.41Å; E614-V618 WeakPolarHBondContact O-CG2 3.47Å; E614-V618 PolarHBondContact O-N 3.1Å |
| 615 | Y | 92 | Very high | 90.4 | Very high | 23 Ų | 23 | 60.6 Ų | 60.6 | 9% | 0.09 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.4 | -36.6 | 177 | 178.5 | -96.2 | 0 | 0 | 0 | 112.9 | L542 I557 K565 F610 S611 D617 V618 D619 | L542-Y615 WeakPolarHBondContact CB-OH 3.41Å; L542-Y615 HydrophobicContact CD1-CE2 3.81Å; I557-Y615 HydrophobicContact CG2-CD2 4.3Å; I557-Y615 HydrophobicContact CG2-CE2 3.83Å; K565-Y615 HydrophobicContact CB-CD2 4.45Å; K565-Y615 HydrophobicContact CD-CD1 3.33Å; K565-Y615 HydrophobicContact CD-CD2 3.61Å; K565-Y615 HydrophobicContact CD-CE1 3.86Å; K565-Y615 HydrophobicContact CD-CE2 4.09Å; K565-Y615 HydrophobicContact CD-CG 3.19Å; K565-Y615 HydrophobicContact CG-CG 4.48Å; F610-Y615 HydrophobicContact CD2-CD2 4.47Å; S611-Y615 PolarHBondContact O-N 2.92Å; Y615-D617 VanDerWaalsContact C-N 3.29Å; Y615-D617 PolarHBondContact O-N 2.92Å; Y615-V618 WeakPolarHBondContact O-CB 3.44Å; Y615-V618 PolarHBondContact O-N 3.36Å; Y615-D619 HydrophobicContact CE1-CB 4.05Å; Y615-D619 WeakPolarHBondContact O-CB 3.15Å; Y615-D619 PolarHBondContact O-N 3.04Å |
| 616 | I | 91.9 | Very high | 89.6 | Confident | 114 Ų | 114 | 64 Ų | 64 | 59% | 0.585 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61.9 | -39.1 | 177 | -68.3 | 164.4 | 0 | 0 | 0 | 110.9 | P612 K613 E614 K620 | P612-I616 WeakPolarHBondContact O-CD1 3.49Å; P612-I616 WeakPolarHBondContact O-CG1 3.34Å; P612-I616 PolarHBondContact O-N 2.84Å; K613-I616 PolarHBondContact O-N 2.82Å; E614-I616 VanDerWaalsContact C-N 3.31Å; E614-I616 PolarHBondContact O-N 3.45Å; I616-K620 VanDerWaalsContact O-CB 3.29Å; I616-K620 WeakPolarHBondContact O-CB 3.48Å; I616-K620 PolarHBondContact O-N 2.85Å; I616-K620 VanDerWaalsContact O-N 3.08Å |
| 617 | D | 91.6 | Very high | 88.7 | Confident | 63 Ų | 63 | 68.5 Ų | 68.5 | 34% | 0.337 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68.8 | -42.2 | 174.7 | -173.9 | 41.9 | 0 | 0 | 0 | 111.5 | K613 E614 Y615 K620 R621 | K613-D617 PolarHBondContact O-N 2.88Å; E614-D617 PolarHBondContact O-N 3.41Å; Y615-D617 VanDerWaalsContact C-N 3.29Å; Y615-D617 PolarHBondContact O-N 2.92Å; D617-K620 PolarHBondContact O-N 2.89Å; D617-R621 WeakPolarHBondContact O-CB 3.48Å; D617-R621 VanDerWaalsContact O-CG 3.32Å; D617-R621 WeakPolarHBondContact O-CG 3.26Å; D617-R621 PolarHBondContact O-N 3.48Å; D617-R621 IonicContact OD1-CZ 3.57Å; D617-R621 IonicContact OD1-NE 2.69Å; D617-R621 PolarHBondContact OD1-NE 3.45Å; D617-R621 VanDerWaalsContact OD1-NE 3.1Å; D617-R621 IonicContact OD1-NH2 3.4Å; D617-R621 IonicContact OD2-CZ 3.38Å; D617-R621 IonicContact OD2-NE 3.91Å; D617-R621 PolarHBondContact OD2-NE 3.3Å; D617-R621 IonicContact OD2-NH2 2.71Å; D617-R621 PolarHBondContact OD2-NH2 2.87Å |
| 618 | V | 92.1 | Very high | 87.7 | Confident | 5 Ų | 5 | 69.1 Ų | 69.1 | 3% | 0.03 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -54.9 | -55.4 | 174.1 | 166.5 | 0 | 0 | 0 | 0 | 111 | I557 F610 E614 Y615 K620 R621 L622 I643 | I557-V618 HydrophobicContact CD1-CG1 4.02Å; F610-V618 HydrophobicContact CE1-CG2 4.23Å; E614-V618 WeakPolarHBondContact O-CG2 3.47Å; E614-V618 PolarHBondContact O-N 3.1Å; Y615-V618 WeakPolarHBondContact O-CB 3.44Å; Y615-V618 PolarHBondContact O-N 3.36Å; V618-K620 PolarHBondContact O-N 2.85Å; V618-R621 PolarHBondContact O-N 2.84Å; V618-L622 HydrophobicContact CG1-CD1 4.42Å; V618-L622 WeakPolarHBondContact O-CB 3.45Å; V618-L622 PolarHBondContact O-N 3.3Å; V618-I643 HydrophobicContact CB-CG1 4.5Å; V618-I643 HydrophobicContact CG1-CD1 3.84Å; V618-I643 HydrophobicContact CG1-CG1 3.87Å; V618-I643 HydrophobicContact CG1-CG2 4.33Å; V618-I643 HydrophobicContact CG2-CG1 4.17Å |
| 619 | D | 89.8 | Confident | 86.2 | Confident | 62 Ų | 62 | 75.8 Ų | 75.8 | 33% | 0.332 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.8 | -46 | -178.6 | -178.5 | 45.1 | 0 | 0 | 0 | 111.3 | H543 Y615 R621 L622 M623 | H543-D619 IonicContact CE1-OD1 2.58Å; H543-D619 PolarHBondContact CE1-OD1 3.01Å; H543-D619 VanDerWaalsContact CE1-OD1 3.27Å; H543-D619 IonicContact NE2-OD1 2.61Å; H543-D619 PolarHBondContact NE2-OD1 2.77Å; Y615-D619 HydrophobicContact CE1-CB 4.05Å; Y615-D619 WeakPolarHBondContact O-CB 3.15Å; Y615-D619 PolarHBondContact O-N 3.04Å; D619-R621 PolarHBondContact O-N 3.1Å; D619-L622 PolarHBondContact O-N 2.91Å; D619-M623 WeakPolarHBondContact O-CB 3.34Å; D619-M623 PolarHBondContact O-N 2.84Å |
| 620 | K | 90.4 | Very high | 85 | Confident | 153 Ų | 153 | 77.5 Ų | 77.5 | 67% | 0.665 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -59.3 | -45.7 | 177.3 | -172.4 | 178.7 | -179 | -178.8 | 0 | 112.3 | I616 D617 V618 S624 | I616-K620 VanDerWaalsContact O-CB 3.29Å; I616-K620 WeakPolarHBondContact O-CB 3.48Å; I616-K620 PolarHBondContact O-N 2.85Å; I616-K620 VanDerWaalsContact O-N 3.08Å; D617-K620 PolarHBondContact O-N 2.89Å; V618-K620 PolarHBondContact O-N 2.85Å; K620-S624 WeakPolarHBondContact O-CB 3.47Å; K620-S624 PolarHBondContact O-N 3.39Å; K620-S624 PolarHBondContact O-OG 3.11Å |
| 621 | R | 90.5 | Very high | 84.3 | Confident | 98 Ų | 98 | 85.7 Ų | 85.7 | 37% | 0.37 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.2 | -45.3 | 178.7 | -72.3 | -179.4 | -167.5 | -157.2 | 15.2 | 111.4 | D617 V618 D619 M623 S624 A625 H642 | D617-R621 WeakPolarHBondContact O-CB 3.48Å; D617-R621 VanDerWaalsContact O-CG 3.32Å; D617-R621 WeakPolarHBondContact O-CG 3.26Å; D617-R621 PolarHBondContact O-N 3.48Å; D617-R621 IonicContact OD1-CZ 3.57Å; D617-R621 IonicContact OD1-NE 2.69Å; D617-R621 PolarHBondContact OD1-NE 3.45Å; D617-R621 VanDerWaalsContact OD1-NE 3.1Å; D617-R621 IonicContact OD1-NH2 3.4Å; D617-R621 IonicContact OD2-CZ 3.38Å; D617-R621 IonicContact OD2-NE 3.91Å; D617-R621 PolarHBondContact OD2-NE 3.3Å; D617-R621 IonicContact OD2-NH2 2.71Å; D617-R621 PolarHBondContact OD2-NH2 2.87Å; V618-R621 PolarHBondContact O-N 2.84Å; D619-R621 PolarHBondContact O-N 3.1Å; R621-M623 VanDerWaalsContact C-N 3.35Å; R621-M623 PolarHBondContact O-N 3.42Å; R621-S624 PolarHBondContact O-N 2.76Å; R621-S624 PolarHBondContact O-OG 3.46Å; R621-A625 WeakPolarHBondContact O-CB 3.27Å; R621-A625 PolarHBondContact O-N 3.01Å; R621-H642 PolarHBondContact NH1-CD2 3.37Å; R621-H642 PolarHBondContact NH1-NE2 2.92Å; R621-H642 VanDerWaalsContact NH1-NE2 3.19Å |
| 622 | L | 86.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 89.1 Ų | 89.1 | 0% | 0 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 179.9 | -131.7 | 151.7 | 0 | 0 | 0 | 111.1 | H543 L545 I557 V618 D619 A625 R626 F640 I643 | H543-L622 HydrophobicContact CB-CD1 4.49Å; L545-L622 HydrophobicContact CD1-CD1 4.27Å; I557-L622 HydrophobicContact CD1-CD1 4.46Å; V618-L622 HydrophobicContact CG1-CD1 4.42Å; V618-L622 WeakPolarHBondContact O-CB 3.45Å; V618-L622 PolarHBondContact O-N 3.3Å; D619-L622 PolarHBondContact O-N 2.91Å; L622-A625 PolarHBondContact O-N 2.99Å; L622-R626 HydrophobicContact CD2-CG 4.37Å; L622-R626 WeakPolarHBondContact O-CG 3.28Å; L622-R626 PolarHBondContact O-N 3.4Å; L622-F640 HydrophobicContact CD2-CE1 4.29Å; L622-I643 HydrophobicContact CD1-CD1 3.4Å; L622-I643 HydrophobicContact CG-CD1 4.1Å |
| 623 | M | 82.6 | Confident | 83 | Confident | 108 Ų | 108 | 92.7 Ų | 92.7 | 53% | 0.532 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.7 | -44.8 | 177.9 | -158.1 | 58 | 159.1 | 0 | 0 | 111.4 | D619 R621 A625 R626 T627 | D619-M623 WeakPolarHBondContact O-CB 3.34Å; D619-M623 PolarHBondContact O-N 2.84Å; R621-M623 VanDerWaalsContact C-N 3.35Å; R621-M623 PolarHBondContact O-N 3.42Å; M623-A625 VanDerWaalsContact C-N 3.28Å; M623-A625 PolarHBondContact O-N 3.2Å; M623-R626 PolarHBondContact O-N 3.46Å; M623-T627 WeakPolarHBondContact O-CG2 3.45Å; M623-T627 PolarHBondContact O-N 2.77Å; M623-T627 PolarHBondContact O-OG1 2.65Å; M623-T627 VanDerWaalsContact O-OG1 3.04Å |
| 624 | S | 84.6 | Confident | 82.7 | Confident | 72 Ų | 72 | 88.8 Ų | 88.8 | 50% | 0.503 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61 | -35.4 | 176.5 | 76.7 | 0 | 0 | 0 | 0 | 113.4 | K620 R621 T627 A628 | K620-S624 WeakPolarHBondContact O-CB 3.47Å; K620-S624 PolarHBondContact O-N 3.39Å; K620-S624 PolarHBondContact O-OG 3.11Å; R621-S624 PolarHBondContact O-N 2.76Å; R621-S624 PolarHBondContact O-OG 3.46Å; S624-T627 PolarHBondContact O-OG1 3.41Å; S624-A628 PolarHBondContact O-N 2.9Å |
| 625 | A | 81.6 | Confident | 82.3 | Confident | 4 Ų | 4 | 90.7 Ų | 90.7 | 3% | 0.033 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -72.4 | -40.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R621 L622 M623 A628 K635 L636 A639 | R621-A625 WeakPolarHBondContact O-CB 3.27Å; R621-A625 PolarHBondContact O-N 3.01Å; L622-A625 PolarHBondContact O-N 2.99Å; M623-A625 VanDerWaalsContact C-N 3.28Å; M623-A625 PolarHBondContact O-N 3.2Å; A625-A628 WeakPolarHBondContact O-CB 3.32Å; A625-A628 PolarHBondContact O-N 3.24Å; A625-K635 HydrophobicContact CB-CB 4.13Å; A625-L636 HydrophobicContact CB-CD2 3.78Å; A625-L636 HydrophobicContact CB-CG 4.16Å; A625-A639 HydrophobicContact CB-CB 4.26Å |
| 626 | R | 79.4 | Confident | 81.9 | Confident | 75 Ų | 75 | 91 Ų | 91 | 28% | 0.283 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.9 | -35.7 | 177.3 | -76.2 | 178.1 | 172.4 | 162.7 | -0.3 | 113.2 | H543 V544 L622 M623 A628 R632 L636 | H543-R626 PolarHBondContact ND1-NH1 3.15Å; V544-R626 PolarHBondContact O-NH2 3.23Å; L622-R626 HydrophobicContact CD2-CG 4.37Å; L622-R626 WeakPolarHBondContact O-CG 3.28Å; L622-R626 PolarHBondContact O-N 3.4Å; M623-R626 PolarHBondContact O-N 3.46Å; R626-A628 VanDerWaalsContact C-N 3.31Å; R626-R632 VanDerWaalsContact O-CZ 3.26Å; R626-R632 PolarHBondContact O-NE 3.3Å; R626-L636 HydrophobicContact CG-CD2 3.79Å |
| 627 | T | 75.7 | Confident | 81.6 | Confident | 96 Ų | 96 | 89.9 Ų | 89.9 | 59% | 0.589 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 2.3 | 179.8 | 57.8 | 0 | 0 | 0 | 0 | 113.8 | M623 S624 L629 | M623-T627 WeakPolarHBondContact O-CG2 3.45Å; M623-T627 PolarHBondContact O-N 2.77Å; M623-T627 PolarHBondContact O-OG1 2.65Å; M623-T627 VanDerWaalsContact O-OG1 3.04Å; S624-T627 PolarHBondContact O-OG1 3.41Å; T627-L629 PolarHBondContact O-N 3.14Å |
| 628 | A | 75.4 | Confident | 81.4 | Confident | 15 Ų | 15 | 93.4 Ų | 93.4 | 12% | 0.124 | 44% | 0.439 | C | S | . | . | trans | -71.7 | 127.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | S624 A625 R626 K635 | S624-A628 PolarHBondContact O-N 2.9Å; A625-A628 WeakPolarHBondContact O-CB 3.32Å; A625-A628 PolarHBondContact O-N 3.24Å; R626-A628 VanDerWaalsContact C-N 3.31Å; A628-K635 HydrophobicContact CB-CD 3.7Å | ||
| 629 | L | 62.7 | Low | 81.3 | Confident | 177 Ų | 177 | 93.6 Ų | 93.6 | 93% | 0.927 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -80.2 | -21.9 | 178.4 | -65.2 | 171.9 | 0 | 0 | 0 | 113.8 | T627 | T627-L629 PolarHBondContact O-N 3.14Š|
| 630 | Q | 66.4 | Low | 81.4 | Confident | 155 Ų | 155 | 91.9 Ų | 91.9 | 72% | 0.724 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -129.7 | 140.2 | 180 | -66.5 | -177.1 | -3.2 | 0 | 0 | 110.6 | R632 | Q630-R632 PolarHBondContact O-N 3.34Š|
| 631 | R | 77.4 | Confident | 81.3 | Confident | 186 Ų | 186 | 86.9 Ų | 86.9 | 70% | 0.702 | 42% | 0.417 | S | S | * | . | S | Bend | trans | 51 | 40.9 | -179 | -57.2 | -178.5 | -174 | -177.5 | 1.5 | 112.7 | E633 E634 K635 | R631-E633 PolarHBondContact O-N 3.32Å; R631-E634 HydrophobicContact CB-CB 4.4Å; R631-E634 WeakPolarHBondContact CD-OE2 3.44Å; R631-E634 PolarHBondContact O-N 3.15Å; R631-K635 WeakPolarHBondContact O-CG 3.4Å; R631-K635 PolarHBondContact O-N 3.17Å; R631-K635 VanDerWaalsContact O-N 3.1Å |
| 632 | R | 76.4 | Confident | 81.3 | Confident | 130 Ų | 130 | 86.3 Ų | 86.3 | 49% | 0.491 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.1 | -46.6 | -177.3 | -179.2 | 175.3 | 169.6 | 180 | -2 | 111.8 | R626 Q630 K635 L636 | R626-R632 VanDerWaalsContact O-CZ 3.26Å; R626-R632 PolarHBondContact O-NE 3.3Å; Q630-R632 PolarHBondContact O-N 3.34Å; R632-K635 PolarHBondContact O-N 2.93Å; R632-L636 HydrophobicContact CG-CD1 3.9Å; R632-L636 HydrophobicContact CG-CG 4.4Å; R632-L636 WeakPolarHBondContact O-CB 3.31Å; R632-L636 WeakPolarHBondContact O-CG 3.3Å; R632-L636 PolarHBondContact O-N 2.95Å |
| 633 | E | 76.1 | Confident | 81.6 | Confident | 168 Ų | 168 | 86.4 Ų | 86.4 | 79% | 0.785 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -60.5 | -48.1 | -179.8 | -68.1 | 179 | 175.7 | 0 | 0 | 112.1 | R631 K635 L636 Q637 | R631-E633 PolarHBondContact O-N 3.32Å; E633-K635 PolarHBondContact O-N 2.52Å; E633-L636 PolarHBondContact O-N 3.08Å; E633-Q637 WeakPolarHBondContact O-CB 3.47Å; E633-Q637 PolarHBondContact O-N 3.11Å |
| 634 | E | 82.1 | Confident | 82 | Confident | 101 Ų | 101 | 81.3 Ų | 81.3 | 47% | 0.472 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 176.7 | -66.6 | 178.6 | -176.1 | 0 | 0 | 112 | R631 Q637 Q638 | R631-E634 HydrophobicContact CB-CB 4.4Å; R631-E634 WeakPolarHBondContact CD-OE2 3.44Å; R631-E634 PolarHBondContact O-N 3.15Å; E634-Q637 PolarHBondContact O-N 2.92Å; E634-Q638 WeakPolarHBondContact O-CG 3.29Å; E634-Q638 PolarHBondContact O-N 3.35Å |
| 635 | K | 83.5 | Confident | 82.3 | Confident | 100 Ų | 100 | 80.5 Ų | 80.5 | 44% | 0.435 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.3 | -39.7 | 177.8 | -74.6 | 178.2 | 176.9 | 175.6 | 0 | 112.3 | A625 A628 R631 R632 E633 Q638 A639 | A625-K635 HydrophobicContact CB-CB 4.13Å; A628-K635 HydrophobicContact CB-CD 3.7Å; R631-K635 WeakPolarHBondContact O-CG 3.4Å; R631-K635 PolarHBondContact O-N 3.17Å; R631-K635 VanDerWaalsContact O-N 3.1Å; R632-K635 PolarHBondContact O-N 2.93Å; E633-K635 PolarHBondContact O-N 2.52Å; K635-Q638 PolarHBondContact O-N 3.38Å; K635-A639 WeakPolarHBondContact O-CB 3.41Å; K635-A639 PolarHBondContact O-N 3.45Å |
| 636 | L | 83.4 | Confident | 82.8 | Confident | 28 Ų | 28 | 85.3 Ų | 85.3 | 15% | 0.147 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 174 | -76.6 | 170.4 | 0 | 0 | 0 | 110.7 | A625 R626 R632 E633 Q638 A639 F640 | A625-L636 HydrophobicContact CB-CD2 3.78Å; A625-L636 HydrophobicContact CB-CG 4.16Å; R626-L636 HydrophobicContact CG-CD2 3.79Å; R632-L636 HydrophobicContact CG-CD1 3.9Å; R632-L636 HydrophobicContact CG-CG 4.4Å; R632-L636 WeakPolarHBondContact O-CB 3.31Å; R632-L636 WeakPolarHBondContact O-CG 3.3Å; R632-L636 PolarHBondContact O-N 2.95Å; E633-L636 PolarHBondContact O-N 3.08Å; L636-Q638 VanDerWaalsContact C-N 3.34Å; L636-Q638 PolarHBondContact O-N 2.96Å; L636-A639 PolarHBondContact O-N 2.88Å; L636-F640 HydrophobicContact CB-CE2 4.31Å; L636-F640 HydrophobicContact CB-CZ 4.23Å; L636-F640 HydrophobicContact CD2-CE1 4.22Å; L636-F640 HydrophobicContact CD2-CZ 4.15Å; L636-F640 WeakPolarHBondContact O-CB 3.19Å; L636-F640 WeakPolarHBondContact O-CD1 3.5Å; L636-F640 WeakPolarHBondContact O-CG 3.47Å; L636-F640 PolarHBondContact O-N 2.89Å |
| 637 | Q | 84.8 | Confident | 83.5 | Confident | 91 Ų | 91 | 81.7 Ų | 81.7 | 43% | 0.425 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 178.7 | -162.6 | 175.1 | 18.8 | 0 | 0 | 112.1 | E633 E634 F640 A641 | E633-Q637 WeakPolarHBondContact O-CB 3.47Å; E633-Q637 PolarHBondContact O-N 3.11Å; E634-Q637 PolarHBondContact O-N 2.92Å; Q637-F640 PolarHBondContact O-N 3.1Å; Q637-A641 WeakPolarHBondContact O-CB 3.38Å; Q637-A641 PolarHBondContact O-N 3.42Å |
| 638 | Q | 88 | Confident | 84.4 | Confident | 138 Ų | 138 | 80.6 Ų | 80.6 | 65% | 0.645 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.6 | -43.9 | 173.5 | -72 | 176.5 | 8.3 | 0 | 0 | 112.3 | E634 K635 L636 A641 H642 | E634-Q638 WeakPolarHBondContact O-CG 3.29Å; E634-Q638 PolarHBondContact O-N 3.35Å; K635-Q638 PolarHBondContact O-N 3.38Å; L636-Q638 VanDerWaalsContact C-N 3.34Å; L636-Q638 PolarHBondContact O-N 2.96Å; Q638-A641 PolarHBondContact O-N 3.4Å; Q638-H642 PolarHBondContact O-N 3.11Å; Q638-H642 VanDerWaalsContact O-N 3.17Å |
| 639 | A | 90.2 | Very high | 85.3 | Confident | 9 Ų | 9 | 80.1 Ų | 80.1 | 7% | 0.074 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | A625 K635 L636 A641 H642 I643 | A625-A639 HydrophobicContact CB-CB 4.26Å; K635-A639 WeakPolarHBondContact O-CB 3.41Å; K635-A639 PolarHBondContact O-N 3.45Å; L636-A639 PolarHBondContact O-N 2.88Å; A639-A641 PolarHBondContact O-N 3.36Å; A639-H642 WeakPolarHBondContact O-CB 3.44Å; A639-H642 PolarHBondContact O-N 3.45Å; A639-I643 WeakPolarHBondContact O-CD1 3.31Å; A639-I643 WeakPolarHBondContact O-CG1 3.49Å; A639-I643 PolarHBondContact O-N 3.03Å; A639-I643 VanDerWaalsContact O-N 3.1Å |
| 640 | F | 92 | Very high | 86.8 | Confident | 25 Ų | 25 | 72.2 Ų | 72.2 | 11% | 0.11 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 178.2 | -66.1 | -10.1 | 0 | 0 | 0 | 112.3 | L545 L622 L636 Q637 H642 I643 E644 | L545-F640 HydrophobicContact CB-CD1 4.38Å; L545-F640 HydrophobicContact CB-CE1 4.23Å; L545-F640 HydrophobicContact CB-CZ 4.39Å; L545-F640 HydrophobicContact CD2-CB 4.25Å; L545-F640 HydrophobicContact CD2-CD1 3.43Å; L545-F640 VanDerWaalsContact CD2-CD1 3.43Å; L545-F640 HydrophobicContact CD2-CE1 3.95Å; L545-F640 HydrophobicContact CD2-CG 3.92Å; L545-F640 HydrophobicContact CG-CD1 3.75Å; L545-F640 HydrophobicContact CG-CE1 3.69Å; L545-F640 HydrophobicContact CG-CG 4.44Å; L545-F640 HydrophobicContact CG-CZ 4.33Å; L622-F640 HydrophobicContact CD2-CE1 4.29Å; L636-F640 HydrophobicContact CB-CE2 4.31Å; L636-F640 HydrophobicContact CB-CZ 4.23Å; L636-F640 HydrophobicContact CD2-CE1 4.22Å; L636-F640 HydrophobicContact CD2-CZ 4.15Å; L636-F640 WeakPolarHBondContact O-CB 3.19Å; L636-F640 WeakPolarHBondContact O-CD1 3.5Å; L636-F640 WeakPolarHBondContact O-CG 3.47Å; L636-F640 PolarHBondContact O-N 2.89Å; Q637-F640 PolarHBondContact O-N 3.1Å; F640-H642 PolarHBondContact O-N 2.89Å; F640-I643 PolarHBondContact O-N 3.31Å; F640-E644 WeakPolarHBondContact O-CB 3.46Å; F640-E644 WeakPolarHBondContact O-CG 3.35Å; F640-E644 PolarHBondContact O-N 2.97Å |
| 641 | A | 88.3 | Confident | 88.2 | Confident | 48 Ų | 48 | 64.9 Ų | 64.9 | 40% | 0.397 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.5 | -34.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q637 Q638 A639 | Q637-A641 WeakPolarHBondContact O-CB 3.38Å; Q637-A641 PolarHBondContact O-N 3.42Å; Q638-A641 PolarHBondContact O-N 3.4Å; A639-A641 PolarHBondContact O-N 3.36Å |
| 642 | H | 89.9 | Confident | 89 | Confident | 87 Ų | 87 | 56 Ų | 56 | 40% | 0.403 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -69.6 | -41 | 176 | -174.1 | 65.1 | 0 | 0 | 0 | 112.6 | R621 Q638 A639 F640 | R621-H642 PolarHBondContact NH1-CD2 3.37Å; R621-H642 PolarHBondContact NH1-NE2 2.92Å; R621-H642 VanDerWaalsContact NH1-NE2 3.19Å; Q638-H642 PolarHBondContact O-N 3.11Å; Q638-H642 VanDerWaalsContact O-N 3.17Å; A639-H642 WeakPolarHBondContact O-CB 3.44Å; A639-H642 PolarHBondContact O-N 3.45Å; F640-H642 PolarHBondContact O-N 2.89Å |
| 643 | I | 92.5 | Very high | 89.8 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.7 | -40.2 | -178 | -63.6 | 162.6 | 0 | 0 | 0 | 110.9 | L545 I557 L567 R608 F610 V618 L622 A639 F640 N645 | L545-I643 HydrophobicContact CD2-CD1 4.36Å; L545-I643 HydrophobicContact CD2-CG2 4.44Å; I557-I643 HydrophobicContact CD1-CG2 4.21Å; L567-I643 HydrophobicContact CD1-CG2 4.28Å; L567-I643 HydrophobicContact CD2-CG2 4.29Å; R608-I643 PolarHBondContact NH1-O 3.29Å; F610-I643 HydrophobicContact CZ-CG2 3.94Å; V618-I643 HydrophobicContact CB-CG1 4.5Å; V618-I643 HydrophobicContact CG1-CD1 3.84Å; V618-I643 HydrophobicContact CG1-CG1 3.87Å; V618-I643 HydrophobicContact CG1-CG2 4.33Å; V618-I643 HydrophobicContact CG2-CG1 4.17Å; L622-I643 HydrophobicContact CD1-CD1 3.4Å; L622-I643 HydrophobicContact CG-CD1 4.1Å; A639-I643 WeakPolarHBondContact O-CD1 3.31Å; A639-I643 WeakPolarHBondContact O-CG1 3.49Å; A639-I643 PolarHBondContact O-N 3.03Å; A639-I643 VanDerWaalsContact O-N 3.1Å; F640-I643 PolarHBondContact O-N 3.31Å; I643-N645 PolarHBondContact O-N 3.4Å |
| 644 | E | 92.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 28 | -173.6 | -61.8 | 174 | 151.4 | 0 | 0 | 113.5 | L545 R551 R553 S555 F579 F640 | L545-E644 HydrophobicContact CD2-CG 4.41Å; R551-E644 WeakPolarHBondContact CD-OE2 3.36Å; R551-E644 IonicContact CZ-OE1 2.76Å; R551-E644 IonicContact CZ-OE2 3.1Å; R551-E644 IonicContact NE-OE2 3.86Å; R551-E644 IonicContact NH1-OE1 2.98Å; R551-E644 PolarHBondContact NH1-OE1 3.24Å; R551-E644 IonicContact NH1-OE2 3.9Å; R551-E644 PolarHBondContact NH1-OE2 3.44Å; R551-E644 IonicContact NH2-OE1 2.84Å; R553-E644 IonicContact CZ-OE2 2.75Å; R553-E644 IonicContact NE-OE2 3.04Å; R553-E644 PolarHBondContact NE-OE2 3.33Å; R553-E644 IonicContact NH2-OE2 2.76Å; R553-E644 PolarHBondContact NH2-OE2 3.45Å; S555-E644 VanDerWaalsContact CB-OE1 3.31Å; S555-E644 WeakPolarHBondContact CB-OE1 3.49Å; S555-E644 PolarHBondContact OG-OE1 3.22Å; F579-E644 WeakPolarHBondContact CB-O 3.02Å; F640-E644 WeakPolarHBondContact O-CB 3.46Å; F640-E644 WeakPolarHBondContact O-CG 3.35Å; F640-E644 PolarHBondContact O-N 2.97Å |
| 645 | N | 89.7 | Confident | 90.9 | Very high | 56 Ų | 56 | 37 Ų | 37 | 30% | 0.299 | 18% | 0.184 | S | C | . | . | trans | -97.8 | 161.7 | 174 | -159.5 | 8.2 | 0 | 0 | 0 | 111.1 | R608 I643 L647 | R608-N645 WeakPolarHBondContact CD-O 3.33Å; R608-N645 VanDerWaalsContact CZ-O 3.3Å; R608-N645 PolarHBondContact NH1-O 3.46Å; I643-N645 PolarHBondContact O-N 3.4Å; N645-L647 PolarHBondContact O-N 2.93Å | ||
| 646 | H | 91.6 | Very high | 91 | Very high | 104 Ų | 104 | 35.3 Ų | 35.3 | 48% | 0.481 | 18% | 0.177 | S | C | . | . | S | Bend | trans | 53.6 | 48.6 | 175.9 | -52.7 | -61.1 | 0 | 0 | 0 | 114.9 | F579 T581 | F579-H646 PolarHBondContact O-N 3.4Å; T581-H646 HydrophobicContact CG2-CB 4.4Å |
| 647 | L | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 149.1 | -179 | -57.3 | 174.3 | 0 | 0 | 0 | 111.8 | L567 T569 V576 F579 T580 T581 A606 R608 N645 | L567-L647 HydrophobicContact CD2-CD2 3.81Å; T569-L647 HydrophobicContact CG2-CD1 4.15Å; V576-L647 HydrophobicContact CG1-CD1 4.19Å; F579-L647 HydrophobicContact CB-CD1 4.22Å; F579-L647 PolarHBondContact O-N 3.28Å; T580-L647 CarbonylContact C-O 3.49Å; T580-L647 WeakPolarHBondContact CA-O 3.29Å; T580-L647 HydrophobicContact CG2-CB 3.96Å; T581-L647 PolarHBondContact N-O 3.23Å; A606-L647 HydrophobicContact CB-CB 3.92Å; A606-L647 HydrophobicContact CB-CD1 4.26Å; R608-L647 HydrophobicContact CB-CD2 4.05Å; N645-L647 PolarHBondContact O-N 2.93Å |
| 648 | H | 94.8 | Very high | 91.1 | Very high | 73 Ų | 73 | 33 Ų | 33 | 34% | 0.338 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 119.4 | 168 | -176.9 | 75.6 | 0 | 0 | 0 | 109.6 | T582 A606 C607 L650 | T582-H648 VanDerWaalsContact CB-ND1 3.35Å; T582-H648 WeakPolarHBondContact CB-ND1 3.38Å; T582-H648 WeakPolarHBondContact OG1-CA 3.47Å; T582-H648 WeakPolarHBondContact OG1-CB 3.4Å; T582-H648 PolarHBondContact OG1-ND1 3.11Å; A606-H648 CarbonylContact C-O 3.6Å; A606-H648 VanDerWaalsContact CA-O 3.24Å; A606-H648 WeakPolarHBondContact CA-O 3.48Å; A606-H648 WeakPolarHBondContact CB-O 3.21Å; C607-H648 PolarHBondContact N-O 3Å; C607-H648 WeakPolarHBondContact O-CA 3.32Å; C607-H648 WeakPolarHBondContact O-CB 3.32Å; C607-H648 PolarHBondContact O-N 3.18Å; H648-L650 PolarHBondContact O-N 3.36Å |
| 649 | L | 95.4 | Very high | 91.1 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 123.9 | -179.1 | 177.8 | 65.9 | 0 | 0 | 0 | 110.5 | L577 T580 T582 I585 T588 V604 | L577-L649 HydrophobicContact CD2-CD1 4.34Å; L577-L649 HydrophobicContact CD2-CD2 4.37Å; T580-L649 HydrophobicContact CG2-CB 4.08Å; T580-L649 HydrophobicContact CG2-CD1 4.48Å; T582-L649 PolarHBondContact O-N 3.48Å; I585-L649 HydrophobicContact CB-CD2 4.28Å; I585-L649 HydrophobicContact CG1-CB 4.47Å; I585-L649 HydrophobicContact CG1-CD2 3.9Å; T588-L649 HydrophobicContact CG2-CD2 4.17Å; V604-L649 HydrophobicContact CG1-CD1 3.35Å |
| 650 | L | 94.6 | Very high | 91.2 | Very high | 12 Ų | 12 | 28 Ų | 28 | 6% | 0.063 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | -40.6 | 173.2 | -63.7 | 176.9 | 0 | 0 | 0 | 111.4 | N425 L459 F460 A463 F568 V605 C607 H648 | N425-L650 PolarHBondContact N-O 2.89Å; N425-L650 VanDerWaalsContact N-O 3.15Å; L459-L650 HydrophobicContact CD2-CD2 3.77Å; L459-L650 HydrophobicContact CG-CD1 4.34Å; L459-L650 HydrophobicContact CG-CD2 4.15Å; F460-L650 HydrophobicContact CD2-CB 3.97Å; A463-L650 HydrophobicContact CB-CD1 3.77Å; F568-L650 HydrophobicContact CD1-CD1 4.49Å; F568-L650 HydrophobicContact CE1-CD1 4.34Å; V605-L650 HydrophobicContact CG1-CD1 4.39Å; V605-L650 PolarHBondContact O-N 2.98Å; C607-L650 HydrophobicContact CB-CD1 3.93Å; C607-L650 HydrophobicContact CB-CG 4.3Å; H648-L650 PolarHBondContact O-N 3.36Å |
| 651 | G | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.2 | -165.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S423 V605 | S423-G651 CarbonylContact O-C 3.55Å; S423-G651 WeakPolarHBondContact O-CA 3.46Å; V605-G651 PolarHBondContact N-O 3.27Å; V605-G651 PolarHBondContact O-N 3.04Å |
| 652 | A | 94.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 147.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | C422 S423 T588 V592 L603 V604 | C422-A652 CarbonylContact C-O 3.54Å; C422-A652 WeakPolarHBondContact CA-O 3.41Å; C422-A652 VanDerWaalsContact CB-O 3.26Å; C422-A652 WeakPolarHBondContact CB-O 3.45Å; S423-A652 PolarHBondContact N-O 3.48Å; S423-A652 PolarHBondContact O-N 2.68Å; T588-A652 HydrophobicContact CG2-CB 3.78Å; V592-A652 HydrophobicContact CG2-CB 3.49Å; V592-A652 VanDerWaalsContact CG2-CB 3.49Å; L603-A652 CarbonylContact O-C 3.51Å; L603-A652 WeakPolarHBondContact O-CA 3.38Å; V604-A652 HydrophobicContact CG2-CB 4.29Å |
| 653 | T | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 143.4 | 176.8 | 64 | 0 | 0 | 0 | 0 | 110.3 | F419 F460 V464 L509 T602 L603 V605 | F419-T653 HydrophobicContact CE2-CG2 3.92Å; F460-T653 HydrophobicContact CE1-CG2 4.28Å; F460-T653 HydrophobicContact CE2-CG2 4.41Å; F460-T653 HydrophobicContact CZ-CG2 3.55Å; V464-T653 HydrophobicContact CG2-CG2 4.33Å; L509-T653 HydrophobicContact CD2-CG2 3.78Å; T602-T653 VanDerWaalsContact CA-O 3.27Å; T602-T653 WeakPolarHBondContact CA-O 3.36Å; L603-T653 WeakPolarHBondContact CB-OG1 3.45Å; L603-T653 PolarHBondContact N-O 3.03Å; L603-T653 PolarHBondContact O-N 3.42Å; L603-T653 PolarHBondContact O-OG1 3.13Å; V605-T653 HydrophobicContact CG2-CG2 4.32Å |
| 654 | G | 91.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 111.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | R420 E421 R601 | R420-G654 PolarHBondContact N-O 3.44Å; E421-G654 PolarHBondContact N-O 3.18Å; E421-G654 WeakPolarHBondContact O-CA 3.4Å; E421-G654 PolarHBondContact O-N 2.79Å; R601-G654 WeakPolarHBondContact O-CA 3.27Å |
| 655 | V | 89 | Confident | 91.8 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 124.8 | -179.7 | -178.3 | 0 | 0 | 0 | 0 | 109.5 | M417 Q418 A508 L509 R601 | M417-V655 HydrophobicContact CB-CG1 3.8Å; Q418-V655 CarbonylContact O-C 3.56Å; Q418-V655 WeakPolarHBondContact O-CA 3.27Å; A508-V655 HydrophobicContact CB-CG1 4.33Å; L509-V655 HydrophobicContact CD2-CG2 4Å; L509-V655 HydrophobicContact CG-CG2 4.31Å; R601-V655 HydrophobicContact CB-CB 4.48Å; R601-V655 WeakPolarHBondContact CB-O 3.48Å; R601-V655 PolarHBondContact N-O 3.4Å; R601-V655 PolarHBondContact O-N 3.15Å |
| 656 | E | 85.7 | Confident | 92 | Very high | 64 Ų | 64 | 34.9 Ų | 34.9 | 30% | 0.299 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 133.1 | 177.2 | -173 | 179.2 | -152.6 | 0 | 0 | 110.8 | M417 Q418 R420 L600 | M417-E656 CarbonylContact C-O 3.59Å; M417-E656 WeakPolarHBondContact CA-O 3.49Å; Q418-E656 PolarHBondContact N-O 3.1Å; Q418-E656 PolarHBondContact O-N 2.87Å; R420-E656 HydrophobicContact CG-CB 3.72Å; R420-E656 IonicContact CZ-OE2 3.17Å; R420-E656 IonicContact NE-OE2 2.77Å; R420-E656 PolarHBondContact NE-OE2 3.16Å; R420-E656 IonicContact NH2-OE2 2.63Å; R420-E656 PolarHBondContact NH2-OE2 3.16Å; L600-E656 HydrophobicContact CD2-CB 3.67Å; L600-E656 HydrophobicContact CD2-CG 4.22Å |
| 657 | D | 83.8 | Confident | 92.2 | Very high | 11 Ų | 11 | 30 Ų | 30 | 6% | 0.059 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 99 | 164.4 | -172.8 | -4.8 | 0 | 0 | 0 | 107.2 | K408 T413 M417 R601 L659 | K408-D657 IonicContact NZ-OD2 2.65Å; K408-D657 PolarHBondContact NZ-OD2 3.32Å; T413-D657 WeakPolarHBondContact CB-OD1 3.44Å; T413-D657 PolarHBondContact OG1-OD1 3.16Å; M417-D657 HydrophobicContact CE-CB 4Å; M417-D657 HydrophobicContact SD-CB 3.69Å; R601-D657 IonicContact CZ-OD2 3.45Å; R601-D657 IonicContact NH2-OD2 3Å; R601-D657 PolarHBondContact NH2-OD2 3.39Å; D657-L659 PolarHBondContact O-N 3.37Å |
| 658 | K | 85.6 | Confident | 92.2 | Very high | 60 Ų | 60 | 32.3 Ų | 32.3 | 26% | 0.261 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 126.1 | -168.3 | -172.2 | -175.1 | 169.9 | -144.5 | 0 | 111 | T413 E414 E416 | T413-K658 CarbonylContact C-O 3.4Å; T413-K658 VanDerWaalsContact CA-O 3.32Å; T413-K658 WeakPolarHBondContact CA-O 3.44Å; T413-K658 WeakPolarHBondContact CB-O 3.33Å; E414-K658 PolarHBondContact N-O 2.97Å; E414-K658 WeakPolarHBondContact OE2-CD 3.36Å; E414-K658 WeakPolarHBondContact OE2-CE 3.43Å; E414-K658 IonicContact OE2-NZ 3.85Å; E414-K658 PolarHBondContact OE2-NZ 3.22Å; E416-K658 WeakPolarHBondContact O-CB 3.29Å; E416-K658 PolarHBondContact O-N 2.78Å; E416-K658 VanDerWaalsContact O-N 3.13Å |
| 659 | L | 89.9 | Confident | 92.2 | Very high | 32 Ų | 32 | 30.7 Ų | 30.7 | 17% | 0.168 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 150.5 | 171.4 | -61.9 | -177.1 | 0 | 0 | 0 | 110.7 | L412 T413 D657 P664 V691 C695 | L412-L659 WeakPolarHBondContact O-CA 3.3Å; T413-L659 HydrophobicContact CG2-CD2 4.08Å; D657-L659 PolarHBondContact O-N 3.37Å; L659-P664 HydrophobicContact CD1-CG 4.15Å; L659-V691 HydrophobicContact CD2-CG1 4.07Å; L659-C695 HydrophobicContact CD1-CB 4.09Å; L659-C695 HydrophobicContact CD2-CB 4.35Å |
| 660 | Q | 90.8 | Very high | 92.1 | Very high | 8 Ų | 8 | 30.5 Ų | 30.5 | 4% | 0.037 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -65.2 | 158.3 | 167.9 | -45.7 | -160.9 | -6.3 | 0 | 0 | 110.7 | G410 T411 L412 T413 E414 K662 V663 | G410-Q660 PolarHBondContact O-NE2 2.84Å; T411-Q660 PolarHBondContact O-NE2 2.95Å; T411-Q660 VanDerWaalsContact O-NE2 3.1Å; L412-Q660 PolarHBondContact O-N 3.39Å; T413-Q660 PolarHBondContact O-NE2 3.41Å; E414-Q660 HydrophobicContact CG-CB 4.16Å; E414-Q660 HydrophobicContact CG-CG 3.86Å; Q660-K662 PolarHBondContact O-N 2.79Å; Q660-V663 HydrophobicContact CB-CG2 3.66Å; Q660-V663 HydrophobicContact CG-CG2 4.38Å; Q660-V663 VanDerWaalsContact O-CG2 3.25Å; Q660-V663 WeakPolarHBondContact O-CG2 3.28Å; Q660-V663 PolarHBondContact O-N 2.93Å |
| 661 | D | 90.6 | Very high | 92 | Very high | 62 Ų | 62 | 32.4 Ų | 32.4 | 33% | 0.332 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | 132.8 | 174.8 | -65.3 | -14.8 | 0 | 0 | 0 | 112.5 | V663 K833 | D661-V663 PolarHBondContact O-N 3.38Å; D661-V663 VanDerWaalsContact O-N 3.14Å; D661-K833 HydrophobicContact CB-CD 3.99Å; D661-K833 IonicContact OD2-NZ 3.86Å; D661-K833 PolarHBondContact OD2-NZ 3.02Å |
| 662 | K | 93.4 | Very high | 91.9 | Very high | 136 Ų | 136 | 39.5 Ų | 39.5 | 59% | 0.591 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 21 | 171.9 | -57.3 | -174.8 | 177.7 | -177.3 | 0 | 115.4 | Q660 E665 T666 K833 | Q660-K662 PolarHBondContact O-N 2.79Å; K662-E665 VanDerWaalsContact C-OE2 3.22Å; K662-E665 WeakPolarHBondContact CA-OE2 3.3Å; K662-T666 VanDerWaalsContact O-CB 3.3Å; K662-T666 WeakPolarHBondContact O-CB 3.45Å; K662-T666 PolarHBondContact O-N 2.93Å; K662-T666 PolarHBondContact O-OG1 3.43Å; K662-K833 HydrophobicContact CB-CB 4.15Å |
| 663 | V | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.4 | -49.4 | 178 | 167.4 | 0 | 0 | 0 | 0 | 112.1 | L412 Q660 D661 E665 T666 I667 C695 F832 | L412-V663 HydrophobicContact CB-CG1 4.42Å; L412-V663 HydrophobicContact CD2-CG1 3.75Å; Q660-V663 HydrophobicContact CB-CG2 3.66Å; Q660-V663 HydrophobicContact CG-CG2 4.38Å; Q660-V663 VanDerWaalsContact O-CG2 3.25Å; Q660-V663 WeakPolarHBondContact O-CG2 3.28Å; Q660-V663 PolarHBondContact O-N 2.93Å; D661-V663 PolarHBondContact O-N 3.38Å; D661-V663 VanDerWaalsContact O-N 3.14Å; V663-E665 VanDerWaalsContact C-N 3.33Å; V663-E665 PolarHBondContact O-N 2.99Å; V663-T666 PolarHBondContact O-N 2.97Å; V663-I667 HydrophobicContact CG1-CD1 3.95Å; V663-I667 HydrophobicContact CG1-CG1 4.49Å; V663-I667 WeakPolarHBondContact O-CG1 3.49Å; V663-I667 PolarHBondContact O-N 2.77Å; V663-C695 HydrophobicContact CG1-CB 3.93Å; V663-F832 HydrophobicContact CB-CD1 4.48Å; V663-F832 HydrophobicContact CG1-CD1 4.38Å; V663-F832 HydrophobicContact CG2-CB 4.15Å; V663-F832 HydrophobicContact CG2-CD1 3.94Å; V663-F832 HydrophobicContact CG2-CG 4.32Å |
| 664 | P | 93.5 | Very high | 91.7 | Very high | 46 Ų | 46 | 41.4 Ų | 41.4 | 30% | 0.299 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -57.3 | -43.9 | 177.9 | -22.5 | 31.5 | 0 | 0 | 0 | 113.4 | L659 I667 E668 C695 | L659-P664 HydrophobicContact CD1-CG 4.15Å; P664-I667 PolarHBondContact O-N 3.34Å; P664-E668 WeakPolarHBondContact O-CB 3.33Å; P664-E668 PolarHBondContact O-N 3.42Å; P664-C695 WeakPolarHBondContact CA-O 3.15Å |
| 665 | E | 94.9 | Very high | 91.8 | Very high | 113 Ų | 113 | 41.6 Ų | 41.6 | 53% | 0.528 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.3 | -40.8 | 179.3 | -61.3 | 90.2 | 147.8 | 0 | 0 | 111 | K662 V663 E668 V669 | K662-E665 VanDerWaalsContact C-OE2 3.22Å; K662-E665 WeakPolarHBondContact CA-OE2 3.3Å; V663-E665 VanDerWaalsContact C-N 3.33Å; V663-E665 PolarHBondContact O-N 2.99Å; E665-E668 PolarHBondContact O-N 3.41Å; E665-V669 WeakPolarHBondContact O-CB 3.5Å; E665-V669 VanDerWaalsContact O-CG2 3.24Å; E665-V669 WeakPolarHBondContact O-CG2 3.12Å; E665-V669 PolarHBondContact O-N 3.44Å |
| 666 | T | 95.7 | Very high | 92 | Very high | 7 Ų | 7 | 44.8 Ų | 44.8 | 4% | 0.043 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.7 | -46.4 | 177.5 | -58.8 | 0 | 0 | 0 | 0 | 111.1 | K662 V663 E668 V669 L670 F832 A836 | K662-T666 VanDerWaalsContact O-CB 3.3Å; K662-T666 WeakPolarHBondContact O-CB 3.45Å; K662-T666 PolarHBondContact O-N 2.93Å; K662-T666 PolarHBondContact O-OG1 3.43Å; V663-T666 PolarHBondContact O-N 2.97Å; T666-E668 VanDerWaalsContact C-N 3.32Å; T666-E668 PolarHBondContact O-N 3.5Å; T666-V669 PolarHBondContact O-N 2.95Å; T666-L670 HydrophobicContact CG2-CD1 4.01Å; T666-L670 HydrophobicContact CG2-CG 4.45Å; T666-L670 WeakPolarHBondContact O-CB 3.47Å; T666-L670 VanDerWaalsContact O-CG 3.24Å; T666-L670 WeakPolarHBondContact O-CG 3.24Å; T666-L670 PolarHBondContact O-N 3.43Å; T666-F832 HydrophobicContact CG2-CD1 3.82Å; T666-F832 HydrophobicContact CG2-CE1 3.59Å; T666-A836 HydrophobicContact CG2-CB 4.15Å |
| 667 | I | 95.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.6 | -44.5 | 177.2 | -74.7 | 178.1 | 0 | 0 | 0 | 110.7 | L412 V663 P664 L670 R671 I677 C695 F832 | L412-I667 HydrophobicContact CD2-CD1 4.12Å; V663-I667 HydrophobicContact CG1-CD1 3.95Å; V663-I667 HydrophobicContact CG1-CG1 4.49Å; V663-I667 WeakPolarHBondContact O-CG1 3.49Å; V663-I667 PolarHBondContact O-N 2.77Å; P664-I667 PolarHBondContact O-N 3.34Å; I667-L670 PolarHBondContact O-N 3.49Å; I667-R671 WeakPolarHBondContact O-CB 3.49Å; I667-R671 PolarHBondContact O-N 2.92Å; I667-I677 HydrophobicContact CB-CD1 4.22Å; I667-I677 HydrophobicContact CG1-CD1 4.28Å; I667-I677 HydrophobicContact CG2-CD1 3.85Å; I667-C695 HydrophobicContact CD1-CB 3.89Å; I667-F832 HydrophobicContact CG1-CE1 4.07Å; I667-F832 HydrophobicContact CG1-CZ 4.38Å |
| 668 | E | 93.3 | Very high | 93 | Very high | 50 Ų | 50 | 41.5 Ų | 41.5 | 23% | 0.234 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.7 | -42.7 | 178.9 | 178.8 | 58.2 | -165.3 | 0 | 0 | 112.2 | P664 E665 T666 L670 R671 R672 H699 | P664-E668 WeakPolarHBondContact O-CB 3.33Å; P664-E668 PolarHBondContact O-N 3.42Å; E665-E668 PolarHBondContact O-N 3.41Å; T666-E668 VanDerWaalsContact C-N 3.32Å; T666-E668 PolarHBondContact O-N 3.5Å; E668-L670 PolarHBondContact O-N 2.78Å; E668-R671 PolarHBondContact O-N 3.44Å; E668-R671 IonicContact OE2-NH1 2.77Å; E668-R671 PolarHBondContact OE2-NH1 3.03Å; E668-R672 WeakPolarHBondContact O-CG 3.22Å; E668-R672 PolarHBondContact O-N 3.44Å; E668-R672 IonicContact OE1-CZ 3.23Å; E668-R672 IonicContact OE1-NE 3.7Å; E668-R672 PolarHBondContact OE1-NE 3.2Å; E668-R672 IonicContact OE1-NH2 3.2Å; E668-R672 PolarHBondContact OE1-NH2 2.97Å; E668-H699 IonicContact OE2-CE1 2.81Å |
| 669 | V | 94.7 | Very high | 93.5 | Very high | 38 Ų | 38 | 38.7 Ų | 38.7 | 23% | 0.23 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.4 | -45.5 | 175.7 | 160.5 | 0 | 0 | 0 | 0 | 111.5 | E665 T666 R672 A673 A836 L840 P919 | E665-V669 WeakPolarHBondContact O-CB 3.5Å; E665-V669 VanDerWaalsContact O-CG2 3.24Å; E665-V669 WeakPolarHBondContact O-CG2 3.12Å; E665-V669 PolarHBondContact O-N 3.44Å; T666-V669 PolarHBondContact O-N 2.95Å; V669-R672 PolarHBondContact O-N 2.82Å; V669-A673 PolarHBondContact O-N 3.49Å; V669-A836 HydrophobicContact CG1-CB 4.22Å; V669-L840 HydrophobicContact CG1-CD1 3.35Å; V669-P919 HydrophobicContact CB-CG 4.41Å; V669-P919 HydrophobicContact CG1-CB 4.19Å; V669-P919 HydrophobicContact CG1-CG 3.77Å; V669-P919 HydrophobicContact CG2-CG 4.42Å; V669-P919 WeakPolarHBondContact O-CB 3.32Å |
| 670 | L | 94.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.8 | -37.3 | 178.3 | -66.5 | 174.6 | 0 | 0 | 0 | 112.1 | L404 T666 I667 E668 A673 G674 I675 I677 L835 L839 | L404-L670 HydrophobicContact CD2-CD1 3.78Å; T666-L670 HydrophobicContact CG2-CD1 4.01Å; T666-L670 HydrophobicContact CG2-CG 4.45Å; T666-L670 WeakPolarHBondContact O-CB 3.47Å; T666-L670 VanDerWaalsContact O-CG 3.24Å; T666-L670 WeakPolarHBondContact O-CG 3.24Å; T666-L670 PolarHBondContact O-N 3.43Å; I667-L670 PolarHBondContact O-N 3.49Å; E668-L670 PolarHBondContact O-N 2.78Å; L670-A673 WeakPolarHBondContact O-CB 3.24Å; L670-A673 PolarHBondContact O-N 3.38Å; L670-G674 PolarHBondContact O-N 2.92Å; L670-I675 HydrophobicContact CB-CD1 4.45Å; L670-I675 HydrophobicContact CD2-CD1 3.85Å; L670-I675 WeakPolarHBondContact O-CB 3.23Å; L670-I675 PolarHBondContact O-N 2.67Å; L670-I675 VanDerWaalsContact O-N 3.1Å; L670-I677 HydrophobicContact CB-CD1 4.09Å; L670-L835 HydrophobicContact CD1-CD2 3.86Å; L670-L835 HydrophobicContact CD1-CG 4.21Å; L670-L839 HydrophobicContact CD2-CD1 3.89Å |
| 671 | R | 92.1 | Very high | 93.6 | Very high | 53 Ų | 53 | 36.9 Ų | 36.9 | 20% | 0.2 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.9 | -44 | 173.1 | -176.3 | -173.7 | -70.2 | 132.7 | -8.3 | 111.4 | I667 E668 A673 G674 G696 H697 H699 | I667-R671 WeakPolarHBondContact O-CB 3.49Å; I667-R671 PolarHBondContact O-N 2.92Å; E668-R671 PolarHBondContact O-N 3.44Å; E668-R671 IonicContact OE2-NH1 2.77Å; E668-R671 PolarHBondContact OE2-NH1 3.03Å; R671-A673 VanDerWaalsContact C-N 3.25Å; R671-A673 PolarHBondContact O-N 3.2Å; R671-G674 WeakPolarHBondContact O-CA 3.24Å; R671-G674 PolarHBondContact O-N 2.96Å; R671-G696 PolarHBondContact NH1-O 3.22Å; R671-G696 VanDerWaalsContact NH1-O 3.17Å; R671-G696 PolarHBondContact NH2-O 2.92Å; R671-H697 PolarHBondContact NH2-O 3.35Å; R671-H699 PolarHBondContact NH1-CE1 2.8Å; R671-H699 VanDerWaalsContact NH1-CE1 3.26Å; R671-H699 PolarHBondContact NH1-NE2 3.15Å |
| 672 | R | 92.3 | Very high | 93 | Very high | 149 Ų | 149 | 36 Ų | 36 | 56% | 0.562 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -62.8 | -32 | 175.3 | -71.9 | 176.8 | -171.1 | -175.7 | 3.8 | 112.8 | E668 V669 G674 P919 | E668-R672 WeakPolarHBondContact O-CG 3.22Å; E668-R672 PolarHBondContact O-N 3.44Å; E668-R672 IonicContact OE1-CZ 3.23Å; E668-R672 IonicContact OE1-NE 3.7Å; E668-R672 PolarHBondContact OE1-NE 3.2Å; E668-R672 IonicContact OE1-NH2 3.2Å; E668-R672 PolarHBondContact OE1-NH2 2.97Å; V669-R672 PolarHBondContact O-N 2.82Å; R672-G674 PolarHBondContact O-N 3.14Å; R672-P919 HydrophobicContact CB-CB 4.25Å |
| 673 | A | 92.8 | Very high | 92 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 2% | 0.017 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -6.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V669 L670 R671 I675 L840 P919 Y922 R923 | V669-A673 PolarHBondContact O-N 3.49Å; L670-A673 WeakPolarHBondContact O-CB 3.24Å; L670-A673 PolarHBondContact O-N 3.38Å; R671-A673 VanDerWaalsContact C-N 3.25Å; R671-A673 PolarHBondContact O-N 3.2Å; A673-I675 HydrophobicContact CB-CD1 4.43Å; A673-L840 HydrophobicContact CB-CD2 3.63Å; A673-P919 WeakPolarHBondContact CA-O 3.34Å; A673-P919 HydrophobicContact CB-CB 4.02Å; A673-P919 WeakPolarHBondContact CB-O 3.27Å; A673-Y922 HydrophobicContact CB-CD1 4.23Å; A673-Y922 HydrophobicContact CB-CG 4.27Å; A673-R923 WeakPolarHBondContact O-CG 3.33Å |
| 674 | G | 91.1 | Very high | 90.8 | Very high | 37 Ų | 37 | 35.4 Ų | 35.4 | 38% | 0.381 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | 11.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | L670 R671 R672 | L670-G674 PolarHBondContact O-N 2.92Å; R671-G674 WeakPolarHBondContact O-CA 3.24Å; R671-G674 PolarHBondContact O-N 2.96Å; R672-G674 PolarHBondContact O-N 3.14Å |
| 675 | I | 93.9 | Very high | 90.1 | Very high | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | trans | -83.6 | 126 | 177.3 | -59.5 | 166.7 | 0 | 0 | 0 | 108.9 | V401 E402 L404 L670 A673 L839 Y922 | V401-I675 HydrophobicContact CG1-CG2 4.43Å; E402-I675 WeakPolarHBondContact O-CA 3.49Å; L404-I675 HydrophobicContact CB-CG2 3.76Å; L670-I675 HydrophobicContact CB-CD1 4.45Å; L670-I675 HydrophobicContact CD2-CD1 3.85Å; L670-I675 WeakPolarHBondContact O-CB 3.23Å; L670-I675 PolarHBondContact O-N 2.67Å; L670-I675 VanDerWaalsContact O-N 3.1Å; A673-I675 HydrophobicContact CB-CD1 4.43Å; I675-L839 HydrophobicContact CD1-CD1 4.09Å; I675-Y922 HydrophobicContact CD1-CD1 4.49Å; I675-Y922 HydrophobicContact CD1-CE1 4.06Å; I675-Y922 HydrophobicContact CG1-CE1 4.1Å | ||
| 676 | K | 93.3 | Very high | 89.2 | Confident | 68 Ų | 68 | 34.7 Ų | 34.7 | 30% | 0.296 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 127.6 | 174.4 | -68.5 | -173.8 | -179.3 | -177.3 | 0 | 109.9 | E402 Y403 L404 K760 | E402-K676 PolarHBondContact O-N 3.44Å; Y403-K676 CarbonylContact C-O 3.57Å; Y403-K676 WeakPolarHBondContact CA-O 3.44Å; Y403-K676 HydrophobicContact CD1-CB 3.81Å; Y403-K676 HydrophobicContact CD1-CD 4.46Å; Y403-K676 HydrophobicContact CE1-CB 3.85Å; Y403-K676 HydrophobicContact CE1-CD 3.66Å; Y403-K676 HydrophobicContact CE1-CG 4.36Å; Y403-K676 HydrophobicContact CG-CB 4.4Å; L404-K676 PolarHBondContact N-O 2.72Å; K676-K760 PolarHBondContact NZ-O 3.38Å |
| 677 | I | 95.1 | Very high | 88.3 | Confident | 6 Ų | 6 | 36 Ų | 36 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 129.3 | -174.2 | -55.3 | 173.2 | 0 | 0 | 0 | 109.2 | L404 T406 I667 L670 H697 | L404-I677 HydrophobicContact CB-CG1 4.25Å; L404-I677 HydrophobicContact CD2-CD1 4.38Å; L404-I677 HydrophobicContact CD2-CG1 4.12Å; L404-I677 HydrophobicContact CD2-CG2 4.3Å; L404-I677 HydrophobicContact CG-CG2 4.4Å; L404-I677 CarbonylContact O-C 3.46Å; L404-I677 WeakPolarHBondContact O-CA 3.5Å; T406-I677 HydrophobicContact CG2-CG2 4.15Å; I667-I677 HydrophobicContact CB-CD1 4.22Å; I667-I677 HydrophobicContact CG1-CD1 4.28Å; I667-I677 HydrophobicContact CG2-CD1 3.85Å; L670-I677 HydrophobicContact CB-CD1 4.09Å; I677-H697 PolarHBondContact O-NE2 3.11Å; I677-H697 VanDerWaalsContact O-NE2 3.15Å |
| 678 | W | 96 | Very high | 87.7 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 126.1 | 179 | -73.4 | 33.7 | 0 | 0 | 0 | 108.4 | Y403 L404 F405 T406 C759 V765 V778 L782 | Y403-W678 AromaticContact CD1-NE1 3.79Å; Y403-W678 HydrophobicContact CE1-CZ2 4.17Å; Y403-W678 AromaticContact CE1-NE1 3.8Å; L404-W678 PolarHBondContact O-N 2.75Å; F405-W678 CarbonylContact C-O 3.58Å; F405-W678 WeakPolarHBondContact CA-O 3.13Å; F405-W678 HydrophobicContact CD1-CB 3.69Å; F405-W678 HydrophobicContact CD1-CE3 4.34Å; F405-W678 HydrophobicContact CD1-CG 4.3Å; F405-W678 HydrophobicContact CE1-CB 4.05Å; F405-W678 AromaticContact CE1-CD2 3.96Å; F405-W678 HydrophobicContact CE1-CD2 3.96Å; F405-W678 AromaticContact CE1-CE3 3.67Å; F405-W678 HydrophobicContact CE1-CE3 3.67Å; F405-W678 HydrophobicContact CE1-CG 4.17Å; F405-W678 HydrophobicContact CE1-CZ3 4.38Å; T406-W678 PolarHBondContact N-O 2.87Å; W678-C759 HydrophobicContact CH2-CB 3.38Å; W678-C759 HydrophobicContact CZ2-CB 3.59Å; W678-C759 HydrophobicContact CZ3-CB 4.44Å; W678-V765 CarbonylContact C-O 3.57Å; W678-V765 VanDerWaalsContact CA-O 3.3Å; W678-V765 WeakPolarHBondContact CA-O 3.35Å; W678-V765 HydrophobicContact CD2-CB 3.66Å; W678-V765 HydrophobicContact CD2-CG1 4.15Å; W678-V765 HydrophobicContact CD2-CG2 3.99Å; W678-V765 HydrophobicContact CE3-CB 4.07Å; W678-V765 HydrophobicContact CE3-CG1 4.02Å; W678-V765 HydrophobicContact CG-CB 3.87Å; W678-V765 HydrophobicContact CG-CG2 4.41Å; W678-V765 HydrophobicContact CH2-CG2 4.43Å; W678-V765 HydrophobicContact CZ2-CB 4.38Å; W678-V765 HydrophobicContact CZ2-CG2 3.82Å; W678-V765 HydrophobicContact CZ3-CG1 4.31Å; W678-V778 HydrophobicContact CE3-CG1 3.94Å; W678-V778 HydrophobicContact CZ3-CG1 3.78Å; W678-L782 HydrophobicContact CD2-CD1 4.13Å; W678-L782 HydrophobicContact CE3-CD1 3.98Å; W678-L782 HydrophobicContact CH2-CD1 3.44Å; W678-L782 VanDerWaalsContact CH2-CD1 3.44Å; W678-L782 HydrophobicContact CH2-CG 4.16Å; W678-L782 HydrophobicContact CZ2-CD1 3.63Å; W678-L782 HydrophobicContact CZ3-CD1 3.64Å |
| 679 | V | 95.6 | Very high | 87.4 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 119.6 | 179.7 | 179.7 | 0 | 0 | 0 | 0 | 108.6 | T406 K408 L412 V765 L766 C767 | T406-V679 HydrophobicContact CG2-CB 4.39Å; T406-V679 HydrophobicContact CG2-CG2 3.76Å; T406-V679 WeakPolarHBondContact O-CA 3.25Å; K408-V679 HydrophobicContact CB-CG1 4.24Å; L412-V679 HydrophobicContact CD1-CG1 4.38Å; L412-V679 HydrophobicContact CD1-CG2 4.19Å; V679-V765 PolarHBondContact N-O 3.21Å; V679-L766 HydrophobicContact CB-CD1 3.63Å; V679-L766 HydrophobicContact CG1-CD1 3.62Å; V679-L766 WeakPolarHBondContact O-CA 2.92Å; V679-C767 PolarHBondContact O-N 3.5Å |
| 680 | L | 94 | Very high | 86.7 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 97.6 | -177 | -55.2 | -173.5 | 0 | 0 | 0 | 109.9 | F405 T406 C767 M770 K775 V778 M803 | F405-L680 HydrophobicContact CB-CD1 4.22Å; F405-L680 HydrophobicContact CD1-CD1 3.79Å; F405-L680 HydrophobicContact CD1-CG 4.24Å; F405-L680 HydrophobicContact CG-CD1 4.29Å; T406-L680 PolarHBondContact O-N 3.48Å; L680-C767 HydrophobicContact CD2-CB 3.7Å; L680-M770 HydrophobicContact CB-SD 3.91Å; L680-M770 HydrophobicContact CD2-SD 3.9Å; L680-M770 HydrophobicContact CG-SD 4.36Å; L680-K775 HydrophobicContact CB-CD 4.29Å; L680-K775 HydrophobicContact CB-CG 4.26Å; L680-K775 HydrophobicContact CD1-CB 4.34Å; L680-K775 VanDerWaalsContact O-CE 3.24Å; L680-K775 WeakPolarHBondContact O-CE 3.46Å; L680-K775 PolarHBondContact O-NZ 2.96Å; L680-K775 VanDerWaalsContact O-NZ 3.11Å; L680-V778 HydrophobicContact CD1-CB 4.36Å; L680-V778 HydrophobicContact CD1-CG1 4.28Å; L680-V778 HydrophobicContact CD2-CG1 4.2Å; L680-M803 HydrophobicContact CB-SD 4.36Å; L680-M803 HydrophobicContact CD1-SD 3.77Å; L680-M803 HydrophobicContact CG-SD 4.48Å |
| 681 | T | 88.2 | Confident | 86.3 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | trans | -119.1 | 148.7 | -172.8 | -176.6 | 0 | 0 | 0 | 0 | 113.7 | K408 D683 A688 L766 C767 C768 R769 M770 | K408-T681 HydrophobicContact CB-CG2 4.49Å; T681-D683 HydrophobicContact CG2-CB 4.15Å; T681-D683 WeakPolarHBondContact OG1-CB 3.27Å; T681-D683 PolarHBondContact OG1-N 2.89Å; T681-A688 HydrophobicContact CG2-CB 3.62Å; T681-L766 HydrophobicContact CG2-CD1 4.34Å; T681-C767 WeakPolarHBondContact CG2-O 3.17Å; T681-C767 PolarHBondContact N-O 3.17Å; T681-C768 HydrophobicContact CG2-CB 4.36Å; T681-C768 CarbonylContact O-C 3.49Å; T681-C768 WeakPolarHBondContact O-CA 3.08Å; T681-R769 PolarHBondContact O-N 3.12Å; T681-R769 VanDerWaalsContact O-N 3.17Å; T681-M770 WeakPolarHBondContact O-CB 3.37Å; T681-M770 PolarHBondContact O-N 3.05Å | ||
| 682 | G | 78.4 | Confident | 86.2 | Confident | 44 Ų | 44 | 31.7 Ų | 31.7 | 45% | 0.454 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -77.2 | -11.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 683 | D | 72.6 | Confident | 85.9 | Confident | 38 Ų | 38 | 27.8 Ų | 27.8 | 20% | 0.203 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -68.6 | 164 | -175.5 | -77.7 | 2.6 | 0 | 0 | 0 | 113.2 | K408 T681 C768 R769 | K408-D683 VanDerWaalsContact CD-OD2 3.23Å; K408-D683 WeakPolarHBondContact CD-OD2 3.45Å; K408-D683 WeakPolarHBondContact CE-OD2 3.5Å; K408-D683 IonicContact NZ-OD2 2.6Å; K408-D683 PolarHBondContact NZ-OD2 2.91Å; T681-D683 HydrophobicContact CG2-CB 4.15Å; T681-D683 WeakPolarHBondContact OG1-CB 3.27Å; T681-D683 PolarHBondContact OG1-N 2.89Å; D683-C768 WeakPolarHBondContact O-CB 3.45Å; D683-R769 PolarHBondContact O-N 3.48Å |
| 684 | K | 69.2 | Low | 85.5 | Confident | 86 Ų | 86 | 30.3 Ų | 30.3 | 37% | 0.374 | 18% | 0.177 | S | C | . | . | trans | -65.1 | 156.6 | 172.9 | -61.4 | 179.9 | -177.1 | 170.5 | 0 | 110.8 | E686 T687 A688 | K684-E686 VanDerWaalsContact C-N 3.34Å; K684-E686 WeakPolarHBondContact CB-OE2 3.45Å; K684-E686 PolarHBondContact O-N 2.93Å; K684-T687 PolarHBondContact O-N 3.35Å; K684-A688 VanDerWaalsContact O-CB 3.25Å; K684-A688 WeakPolarHBondContact O-CB 3.32Å; K684-A688 PolarHBondContact O-N 3.05Å | ||
| 685 | H | 79.8 | Confident | 85.4 | Confident | 36 Ų | 36 | 28.6 Ų | 28.6 | 17% | 0.167 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -54.6 | -48.3 | -176.7 | 167.9 | 70.2 | 0 | 0 | 0 | 112.2 | T687 A688 V689 E706 V738 | H685-T687 PolarHBondContact O-N 3.37Å; H685-A688 PolarHBondContact O-N 3.3Å; H685-V689 WeakPolarHBondContact O-CG2 3.27Å; H685-V689 PolarHBondContact O-N 3.38Å; H685-E706 IonicContact CE1-OE1 3.85Å; H685-E706 IonicContact NE2-OE1 3.68Å; H685-V738 WeakPolarHBondContact ND1-CG1 3.23Å |
| 686 | E | 75.6 | Confident | 85.1 | Confident | 108 Ų | 108 | 29.3 Ų | 29.3 | 51% | 0.505 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.8 | -47.7 | -173.6 | -54.5 | 82.2 | 178.9 | 0 | 0 | 111.3 | K684 A688 V689 S690 | K684-E686 VanDerWaalsContact C-N 3.34Å; K684-E686 WeakPolarHBondContact CB-OE2 3.45Å; K684-E686 PolarHBondContact O-N 2.93Å; E686-A688 PolarHBondContact O-N 2.93Å; E686-V689 PolarHBondContact O-N 3.28Å; E686-S690 WeakPolarHBondContact O-CB 3.12Å; E686-S690 PolarHBondContact O-N 2.87Å |
| 687 | T | 76 | Confident | 85 | Confident | 33 Ų | 33 | 26.1 Ų | 26.1 | 20% | 0.202 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.8 | -41.4 | 177 | -49.7 | 0 | 0 | 0 | 0 | 111.6 | K684 H685 S690 V691 | K684-T687 PolarHBondContact O-N 3.35Å; H685-T687 PolarHBondContact O-N 3.37Å; T687-S690 PolarHBondContact O-N 3.36Å; T687-V691 WeakPolarHBondContact O-CG2 3.25Å; T687-V691 PolarHBondContact O-N 2.77Å |
| 688 | A | 83.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.2 | -39.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T681 K684 H685 E686 S692 L766 C768 | T681-A688 HydrophobicContact CG2-CB 3.62Å; K684-A688 VanDerWaalsContact O-CB 3.25Å; K684-A688 WeakPolarHBondContact O-CB 3.32Å; K684-A688 PolarHBondContact O-N 3.05Å; H685-A688 PolarHBondContact O-N 3.3Å; E686-A688 PolarHBondContact O-N 2.93Å; A688-S692 WeakPolarHBondContact O-CB 3.27Å; A688-S692 PolarHBondContact O-N 3.45Å; A688-S692 PolarHBondContact O-OG 2.56Å; A688-L766 HydrophobicContact CB-CD1 4.12Å; A688-L766 HydrophobicContact CB-CD2 3.87Å; A688-L766 HydrophobicContact CB-CG 4.32Å; A688-C768 HydrophobicContact CB-CB 4.07Å |
| 689 | V | 85.6 | Confident | 84.3 | Confident | 23 Ų | 23 | 28.8 Ų | 28.8 | 14% | 0.139 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.4 | -45.4 | 175.9 | 172 | 0 | 0 | 0 | 0 | 110.7 | H685 E686 V691 S692 L693 V738 L766 | H685-V689 WeakPolarHBondContact O-CG2 3.27Å; H685-V689 PolarHBondContact O-N 3.38Å; E686-V689 PolarHBondContact O-N 3.28Å; V689-V691 PolarHBondContact O-N 3.17Å; V689-S692 WeakPolarHBondContact O-CB 3.43Å; V689-S692 PolarHBondContact O-N 3.44Å; V689-L693 HydrophobicContact CG1-CD1 4.05Å; V689-L693 WeakPolarHBondContact O-CG 3.28Å; V689-L693 PolarHBondContact O-N 3.32Å; V689-V738 HydrophobicContact CG2-CG1 4.29Å; V689-V738 HydrophobicContact CG2-CG2 4.19Å; V689-L766 HydrophobicContact CG2-CD2 3.82Å |
| 690 | S | 80.9 | Confident | 83.6 | Confident | 20 Ų | 20 | 39.7 Ų | 39.7 | 14% | 0.14 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -53 | -54.6 | 175.1 | 157.4 | 0 | 0 | 0 | 0 | 111.6 | G599 E686 T687 S692 L693 S694 | G599-S690 VanDerWaalsContact C-OG 3.28Å; G599-S690 WeakPolarHBondContact CA-OG 3.38Å; G599-S690 PolarHBondContact O-OG 3.06Å; E686-S690 WeakPolarHBondContact O-CB 3.12Å; E686-S690 PolarHBondContact O-N 2.87Å; T687-S690 PolarHBondContact O-N 3.36Å; S690-S692 VanDerWaalsContact C-N 3.29Å; S690-S692 PolarHBondContact O-N 2.79Å; S690-L693 PolarHBondContact O-N 3.1Å; S690-L693 VanDerWaalsContact O-N 3.13Å; S690-S694 PolarHBondContact O-N 3.05Å; S690-S694 PolarHBondContact O-OG 3.38Å |
| 691 | V | 85.3 | Confident | 83.1 | Confident | 8 Ų | 8 | 45.5 Ų | 45.5 | 5% | 0.048 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64 | -36.4 | -179.8 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | K408 T413 L659 T687 V689 L693 S694 C695 | K408-V691 HydrophobicContact CD-CB 4.22Å; K408-V691 HydrophobicContact CD-CG1 4.17Å; K408-V691 HydrophobicContact CD-CG2 4.1Å; K408-V691 HydrophobicContact CG-CB 4.16Å; K408-V691 HydrophobicContact CG-CG1 3.69Å; T413-V691 HydrophobicContact CG2-CG1 4.07Å; L659-V691 HydrophobicContact CD2-CG1 4.07Å; T687-V691 WeakPolarHBondContact O-CG2 3.25Å; T687-V691 PolarHBondContact O-N 2.77Å; V689-V691 PolarHBondContact O-N 3.17Å; V691-L693 VanDerWaalsContact C-N 3.31Å; V691-L693 PolarHBondContact O-N 3.35Å; V691-S694 PolarHBondContact O-N 3.18Å; V691-C695 WeakPolarHBondContact O-CB 3.38Å; V691-C695 PolarHBondContact O-N 3.25Å; V691-C695 PolarHBondContact O-SG 2.92Å |
| 692 | S | 89.8 | Confident | 83 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.007 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.8 | -33.9 | 176 | -67 | 0 | 0 | 0 | 0 | 113.3 | A688 V689 S690 G696 H697 F698 | A688-S692 WeakPolarHBondContact O-CB 3.27Å; A688-S692 PolarHBondContact O-N 3.45Å; A688-S692 PolarHBondContact O-OG 2.56Å; V689-S692 WeakPolarHBondContact O-CB 3.43Å; V689-S692 PolarHBondContact O-N 3.44Å; S690-S692 VanDerWaalsContact C-N 3.29Å; S690-S692 PolarHBondContact O-N 2.79Å; S692-G696 PolarHBondContact O-N 3.3Å; S692-H697 WeakPolarHBondContact O-CA 3.29Å; S692-H697 WeakPolarHBondContact O-CB 3.31Å; S692-H697 PolarHBondContact O-N 3.22Å; S692-H697 PolarHBondContact OG-ND1 3Å; S692-F698 PolarHBondContact O-N 3.48Å |
| 693 | L | 86.1 | Confident | 83.5 | Confident | 67 Ų | 67 | 45.8 Ų | 45.8 | 35% | 0.351 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -73.4 | -44.4 | 173.8 | -71.8 | 165 | 0 | 0 | 0 | 110.8 | V689 S690 V691 C695 G696 F698 | V689-L693 HydrophobicContact CG1-CD1 4.05Å; V689-L693 WeakPolarHBondContact O-CG 3.28Å; V689-L693 PolarHBondContact O-N 3.32Å; S690-L693 PolarHBondContact O-N 3.1Å; S690-L693 VanDerWaalsContact O-N 3.13Å; V691-L693 VanDerWaalsContact C-N 3.31Å; V691-L693 PolarHBondContact O-N 3.35Å; L693-C695 VanDerWaalsContact C-N 3.35Å; L693-C695 PolarHBondContact O-N 3.48Å; L693-G696 PolarHBondContact O-N 3.44Å; L693-G696 VanDerWaalsContact O-N 3.14Å; L693-F698 HydrophobicContact CD2-CB 3.86Å; L693-F698 HydrophobicContact CG-CB 4.42Å |
| 694 | S | 85.1 | Confident | 84.4 | Confident | 55 Ų | 55 | 46.5 Ų | 46.5 | 39% | 0.385 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.5 | -37.7 | 179.8 | -60.3 | 0 | 0 | 0 | 0 | 112.9 | S690 V691 G696 | S690-S694 PolarHBondContact O-N 3.05Å; S690-S694 PolarHBondContact O-OG 3.38Å; V691-S694 PolarHBondContact O-N 3.18Å; S694-G696 VanDerWaalsContact C-N 3.27Å; S694-G696 PolarHBondContact O-N 3.27Å |
| 695 | C | 88.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 1.3 | 177.6 | 75.7 | 0 | 0 | 0 | 0 | 113.8 | L659 V663 P664 I667 V691 L693 H697 | L659-C695 HydrophobicContact CD1-CB 4.09Å; L659-C695 HydrophobicContact CD2-CB 4.35Å; V663-C695 HydrophobicContact CG1-CB 3.93Å; P664-C695 WeakPolarHBondContact CA-O 3.15Å; I667-C695 HydrophobicContact CD1-CB 3.89Å; V691-C695 WeakPolarHBondContact O-CB 3.38Å; V691-C695 PolarHBondContact O-N 3.25Å; V691-C695 PolarHBondContact O-SG 2.92Å; L693-C695 VanDerWaalsContact C-N 3.35Å; L693-C695 PolarHBondContact O-N 3.48Å; C695-H697 PolarHBondContact O-N 2.96Å; C695-H697 WeakPolarHBondContact SG-CB 3.45Å |
| 696 | G | 87.3 | Confident | 86.1 | Confident | 20 Ų | 20 | 45.7 Ų | 45.7 | 21% | 0.206 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 14.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | R671 S692 L693 S694 | R671-G696 PolarHBondContact NH1-O 3.22Å; R671-G696 VanDerWaalsContact NH1-O 3.17Å; R671-G696 PolarHBondContact NH2-O 2.92Å; S692-G696 PolarHBondContact O-N 3.3Å; L693-G696 PolarHBondContact O-N 3.44Å; L693-G696 VanDerWaalsContact O-N 3.14Å; S694-G696 VanDerWaalsContact C-N 3.27Å; S694-G696 PolarHBondContact O-N 3.27Å |
| 697 | H | 92.4 | Very high | 86.9 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -64.9 | -43.7 | 171.4 | 170.4 | -127.2 | 0 | 0 | 0 | 110.9 | R671 I677 S692 C695 A764 V765 | R671-H697 PolarHBondContact NH2-O 3.35Å; I677-H697 PolarHBondContact O-NE2 3.11Å; I677-H697 VanDerWaalsContact O-NE2 3.15Å; S692-H697 WeakPolarHBondContact O-CA 3.29Å; S692-H697 WeakPolarHBondContact O-CB 3.31Å; S692-H697 PolarHBondContact O-N 3.22Å; S692-H697 PolarHBondContact OG-ND1 3Å; C695-H697 PolarHBondContact O-N 2.96Å; C695-H697 WeakPolarHBondContact SG-CB 3.45Å; H697-A764 WeakPolarHBondContact NE2-CB 3.02Å; H697-A764 WeakPolarHBondContact O-CB 3.26Å; H697-V765 PolarHBondContact CE1-O 3.01Å |
| 698 | F | 90.9 | Very high | 87.6 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 1% | 0.013 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -101.4 | 129.8 | 164 | -67.7 | -35.2 | 0 | 0 | 0 | 110.3 | S692 L693 M702 I704 V738 A764 L766 | S692-F698 PolarHBondContact O-N 3.48Å; L693-F698 HydrophobicContact CD2-CB 3.86Å; L693-F698 HydrophobicContact CG-CB 4.42Å; F698-M702 HydrophobicContact CD1-SD 4.34Å; F698-I704 HydrophobicContact CD2-CD1 4.26Å; F698-V738 HydrophobicContact CE2-CG2 3.79Å; F698-V738 HydrophobicContact CZ-CG2 3.91Å; F698-A764 HydrophobicContact CD1-CB 3.65Å; F698-A764 HydrophobicContact CE1-CB 3.55Å; F698-L766 HydrophobicContact CE2-CB 3.91Å; F698-L766 HydrophobicContact CE2-CD2 3.92Å; F698-L766 HydrophobicContact CZ-CB 3.66Å |
| 699 | H | 84.9 | Confident | 87.6 | Confident | 60 Ų | 60 | 48 Ų | 48 | 28% | 0.278 | 24% | 0.244 | S | C | . | . | trans | -84 | 148.5 | 168.2 | -65.9 | -62.2 | 0 | 0 | 0 | 110 | E668 R671 T701 M702 | E668-H699 IonicContact OE2-CE1 2.81Å; R671-H699 PolarHBondContact NH1-CE1 2.8Å; R671-H699 VanDerWaalsContact NH1-CE1 3.26Å; R671-H699 PolarHBondContact NH1-NE2 3.15Å; H699-T701 PolarHBondContact O-N 3.4Å; H699-T701 VanDerWaalsContact O-N 3.11Å; H699-M702 HydrophobicContact CB-CE 4.4Å; H699-M702 HydrophobicContact CB-CG 4.06Å; H699-M702 HydrophobicContact CB-SD 4.17Å; H699-M702 PolarHBondContact N-SD 2.84Å; H699-M702 WeakPolarHBondContact O-CB 3.11Å; H699-M702 PolarHBondContact O-N 3.42Å | ||
| 700 | R | 80.3 | Confident | 87.6 | Confident | 229 Ų | 229 | 48 Ų | 48 | 86% | 0.864 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -19.3 | 177.3 | -64.4 | -176.6 | 177.7 | 178.6 | -1.9 | 113.6 | ||
| 701 | T | 83.8 | Confident | 87.8 | Confident | 123 Ų | 123 | 57.3 Ų | 57.3 | 76% | 0.755 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -5.3 | 177 | 53.5 | 0 | 0 | 0 | 0 | 113.7 | H699 | H699-T701 PolarHBondContact O-N 3.4Å; H699-T701 VanDerWaalsContact O-N 3.11Å |
| 702 | M | 87.3 | Confident | 88 | Confident | 15 Ų | 15 | 59.5 Ų | 59.5 | 7% | 0.074 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -77.1 | 143.6 | 178.3 | -75.7 | 172.1 | 171.1 | 0 | 0 | 111.4 | F698 H699 I704 Q734 | F698-M702 HydrophobicContact CD1-SD 4.34Å; H699-M702 HydrophobicContact CB-CE 4.4Å; H699-M702 HydrophobicContact CB-CG 4.06Å; H699-M702 HydrophobicContact CB-SD 4.17Å; H699-M702 PolarHBondContact N-SD 2.84Å; H699-M702 WeakPolarHBondContact O-CB 3.11Å; H699-M702 PolarHBondContact O-N 3.42Å; M702-I704 PolarHBondContact O-N 3.21Å; M702-Q734 WeakPolarHBondContact CA-O 3.49Å; M702-Q734 HydrophobicContact CE-CB 4.14Å; M702-Q734 VanDerWaalsContact CE-OE1 3.23Å; M702-Q734 HydrophobicContact CG-CB 3.94Å |
| 703 | N | 89.1 | Confident | 87.9 | Confident | 35 Ų | 35 | 61.4 Ų | 61.4 | 19% | 0.187 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 111.7 | 168.1 | -174.9 | 16.6 | 0 | 0 | 0 | 109.1 | I733 Q734 H735 G736 | N703-I733 HydrophobicContact CB-CG2 3.98Å; N703-Q734 PolarHBondContact N-O 3.36Å; N703-Q734 VanDerWaalsContact N-O 3.07Å; N703-H735 WeakPolarHBondContact O-CA 3.49Å; N703-G736 PolarHBondContact O-N 3.4Å |
| 704 | I | 90.3 | Very high | 88 | Confident | 54 Ų | 54 | 64.7 Ų | 64.7 | 28% | 0.277 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 116.2 | -179.6 | -57.2 | 177.3 | 0 | 0 | 0 | 108.8 | F698 M702 E706 V738 | F698-I704 HydrophobicContact CD2-CD1 4.26Å; M702-I704 PolarHBondContact O-N 3.21Å; I704-E706 HydrophobicContact CG2-CG 4.5Å; I704-V738 HydrophobicContact CG2-CG2 3.61Å |
| 705 | L | 92.6 | Very high | 88.2 | Confident | 2 Ų | 2 | 65.8 Ų | 65.8 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 139.2 | 175.3 | -57.6 | 179.6 | 0 | 0 | 0 | 109.5 | L723 I727 H735 G736 L737 V738 | L705-L723 HydrophobicContact CB-CD2 4.01Å; L705-L723 HydrophobicContact CD1-CD2 4.42Å; L705-L723 HydrophobicContact CD2-CD2 4.17Å; L705-L723 HydrophobicContact CG-CD2 4.42Å; L705-I727 HydrophobicContact CD1-CD1 3.67Å; L705-I727 HydrophobicContact CD1-CG1 3.53Å; L705-H735 HydrophobicContact CD1-CB 4.18Å; L705-G736 WeakPolarHBondContact CB-O 3.11Å; L705-G736 PolarHBondContact N-O 3.22Å; L705-L737 HydrophobicContact CB-CD1 4Å; L705-L737 CarbonylContact O-C 3.05Å; L705-L737 WeakPolarHBondContact O-CA 3.1Å; L705-V738 PolarHBondContact O-N 3.49Å |
| 706 | E | 93.1 | Very high | 88.3 | Confident | 102 Ų | 102 | 65.8 Ų | 65.8 | 48% | 0.477 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 133.9 | -174.6 | -66.2 | -177.5 | 169.6 | 0 | 0 | 111.8 | H685 I704 L708 V738 | H685-E706 IonicContact CE1-OE1 3.85Å; H685-E706 IonicContact NE2-OE1 3.68Å; I704-E706 HydrophobicContact CG2-CG 4.5Å; E706-L708 HydrophobicContact CB-CD1 4.11Å; E706-L708 HydrophobicContact CB-CG 4.18Å; E706-L708 HydrophobicContact CG-CD1 4.29Å; E706-V738 HydrophobicContact CG-CB 4.48Å |
| 707 | L | 92.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 83.2 | 170.2 | -174.6 | 70.8 | 0 | 0 | 0 | 108.3 | Q710 Q719 L720 L723 V738 V739 D740 F755 | L707-Q710 HydrophobicContact CD1-CG 3.88Å; L707-Q710 HydrophobicContact CG-CG 4.36Å; L707-Q719 HydrophobicContact CD1-CB 3.95Å; L707-L720 HydrophobicContact CD1-CD2 4.45Å; L707-L720 HydrophobicContact CD1-CG 4.43Å; L707-L720 HydrophobicContact CD2-CD2 3.7Å; L707-L720 HydrophobicContact CD2-CG 4.22Å; L707-L723 HydrophobicContact CB-CD1 4.41Å; L707-V738 PolarHBondContact N-O 2.76Å; L707-V739 HydrophobicContact CB-CG1 4.36Å; L707-V739 HydrophobicContact CB-CG2 4.38Å; L707-V739 HydrophobicContact CD2-CG1 4.05Å; L707-V739 HydrophobicContact CG-CG1 4.48Å; L707-V739 WeakPolarHBondContact O-CA 3.28Å; L707-D740 PolarHBondContact O-N 3.14Å; L707-F755 HydrophobicContact CD2-CD2 4.48Å; L707-F755 HydrophobicContact CD2-CE2 4.47Å |
| 708 | L | 89.3 | Confident | 88.5 | Confident | 40 Ų | 40 | 71.3 Ų | 71.3 | 21% | 0.209 | 34% | 0.338 | C | S | . | . | trans | -119.1 | 147.1 | -172 | -58.5 | 173.9 | 0 | 0 | 0 | 111.1 | E706 Q710 V738 D740 | E706-L708 HydrophobicContact CB-CD1 4.11Å; E706-L708 HydrophobicContact CB-CG 4.18Å; E706-L708 HydrophobicContact CG-CD1 4.29Å; L708-Q710 VanDerWaalsContact C-N 3.25Å; L708-Q710 PolarHBondContact O-N 2.84Å; L708-Q710 VanDerWaalsContact O-N 3.08Å; L708-Q710 PolarHBondContact O-NE2 3.43Å; L708-V738 HydrophobicContact CD2-CG1 4.39Å; L708-D740 HydrophobicContact CD2-CB 3.92Å | ||
| 709 | Q | 84.6 | Confident | 88.6 | Confident | 148 Ų | 148 | 74 Ų | 74 | 69% | 0.692 | 35% | 0.351 | S | S | * | . | trans | 51.4 | 32.3 | 167.7 | -56.9 | -174.9 | 4.2 | 0 | 0 | 116.3 | D740 S743 | Q709-D740 PolarHBondContact N-OD1 2.93Å; Q709-D740 PolarHBondContact N-OD2 3.28Å; Q709-S743 PolarHBondContact N-OG 3Å | ||
| 710 | Q | 85.2 | Confident | 88.9 | Confident | 23 Ų | 23 | 71.2 Ų | 71.2 | 11% | 0.107 | 34% | 0.338 | C | S | . | . | trans | -66.3 | 134.4 | 176.8 | -59.6 | -57.7 | -66.8 | 0 | 0 | 110.6 | L707 L708 E715 C716 S743 L746 | L707-Q710 HydrophobicContact CD1-CG 3.88Å; L707-Q710 HydrophobicContact CG-CG 4.36Å; L708-Q710 VanDerWaalsContact C-N 3.25Å; L708-Q710 PolarHBondContact O-N 2.84Å; L708-Q710 VanDerWaalsContact O-N 3.08Å; L708-Q710 PolarHBondContact O-NE2 3.43Å; Q710-E715 VanDerWaalsContact OE1-CG 3.3Å; Q710-E715 PolarHBondContact OE1-O 2.81Å; Q710-C716 HydrophobicContact CB-CB 4.19Å; Q710-C716 HydrophobicContact CG-CB 4.32Å; Q710-S743 WeakPolarHBondContact CB-OG 3.3Å; Q710-S743 WeakPolarHBondContact CG-OG 3.44Å; Q710-S743 PolarHBondContact N-OG 3.16Å; Q710-L746 HydrophobicContact CB-CD1 4.01Å; Q710-L746 VanDerWaalsContact O-CD1 3.27Å; Q710-L746 WeakPolarHBondContact O-CD1 3.35Å | ||
| 711 | R | 85.3 | Confident | 89.5 | Confident | 217 Ų | 217 | 66.7 Ų | 66.7 | 82% | 0.819 | 32% | 0.321 | S | S | * | . | trans | -105.3 | -20.1 | -174.1 | -63.1 | -175.4 | -179 | -177.2 | 0.8 | 113.8 | E715 | R711-E715 PolarHBondContact N-OE2 2.92Š| ||
| 712 | S | 89.2 | Confident | 90 | Very high | 53 Ų | 53 | 68.6 Ų | 68.6 | 37% | 0.371 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -138.7 | 155.1 | -178.9 | 70.8 | 0 | 0 | 0 | 0 | 112.1 | N714 E715 C716 | S712-N714 VanDerWaalsContact C-N 3.34Å; S712-N714 PolarHBondContact O-N 3.43Å; S712-E715 PolarHBondContact O-N 3.01Å; S712-E715 VanDerWaalsContact OG-CB 3.3Å; S712-E715 WeakPolarHBondContact OG-CB 3.42Å; S712-E715 PolarHBondContact OG-N 3.43Å; S712-C716 PolarHBondContact O-N 2.84Å; S712-C716 VanDerWaalsContact O-N 3.1Å |
| 713 | D | 88.3 | Confident | 90.2 | Very high | 41 Ų | 41 | 68.5 Ų | 68.5 | 22% | 0.219 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 179.7 | -64.2 | -44.9 | 0 | 0 | 0 | 111.7 | E715 C716 A717 L746 H751 | D713-E715 PolarHBondContact O-N 3.4Å; D713-C716 WeakPolarHBondContact O-CB 3.17Å; D713-C716 PolarHBondContact O-N 3.23Å; D713-A717 PolarHBondContact O-N 2.7Å; D713-L746 WeakPolarHBondContact OD1-CD2 3.49Å; D713-H751 PolarHBondContact O-NE2 3.27Å |
| 714 | N | 88.4 | Confident | 90.3 | Very high | 136 Ų | 136 | 67.3 Ų | 67.3 | 73% | 0.727 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61.9 | -44.3 | 177.9 | -79.5 | -16.7 | 0 | 0 | 0 | 113.1 | S712 C716 A717 E718 | S712-N714 VanDerWaalsContact C-N 3.34Å; S712-N714 PolarHBondContact O-N 3.43Å; N714-C716 VanDerWaalsContact C-N 3.34Å; N714-A717 PolarHBondContact O-N 2.97Å; N714-E718 PolarHBondContact O-N 2.79Å |
| 715 | E | 90.1 | Very high | 90.3 | Very high | 79 Ų | 79 | 71.8 Ų | 71.8 | 37% | 0.369 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 177.8 | -165.8 | -168.8 | 176.6 | 0 | 0 | 110.6 | Q710 R711 S712 D713 A717 E718 Q719 | Q710-E715 VanDerWaalsContact OE1-CG 3.3Å; Q710-E715 PolarHBondContact OE1-O 2.81Å; R711-E715 PolarHBondContact N-OE2 2.92Å; S712-E715 PolarHBondContact O-N 3.01Å; S712-E715 VanDerWaalsContact OG-CB 3.3Å; S712-E715 WeakPolarHBondContact OG-CB 3.42Å; S712-E715 PolarHBondContact OG-N 3.43Å; D713-E715 PolarHBondContact O-N 3.4Å; E715-A717 PolarHBondContact O-N 2.65Å; E715-E718 PolarHBondContact O-N 2.56Å; E715-Q719 WeakPolarHBondContact O-CG 3.47Å; E715-Q719 PolarHBondContact O-N 2.84Å |
| 716 | C | 90.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.6 | -45.3 | 175.6 | -172.9 | 0 | 0 | 0 | 0 | 111.6 | Q710 S712 D713 N714 E718 Q719 L720 L746 | Q710-C716 HydrophobicContact CB-CB 4.19Å; Q710-C716 HydrophobicContact CG-CB 4.32Å; S712-C716 PolarHBondContact O-N 2.84Å; S712-C716 VanDerWaalsContact O-N 3.1Å; D713-C716 WeakPolarHBondContact O-CB 3.17Å; D713-C716 PolarHBondContact O-N 3.23Å; N714-C716 VanDerWaalsContact C-N 3.34Å; C716-E718 PolarHBondContact O-N 3.19Å; C716-Q719 PolarHBondContact O-N 2.79Å; C716-L720 WeakPolarHBondContact O-CB 3.29Å; C716-L720 VanDerWaalsContact O-CG 3.25Å; C716-L720 WeakPolarHBondContact O-CG 3.45Å; C716-L720 PolarHBondContact O-N 3.14Å; C716-L746 HydrophobicContact CB-CB 4.33Å |
| 717 | A | 90.4 | Very high | 89.9 | Confident | 4 Ų | 4 | 73 Ų | 73 | 3% | 0.033 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.6 | -44 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D713 N714 E715 L720 R721 | D713-A717 PolarHBondContact O-N 2.7Å; N714-A717 PolarHBondContact O-N 2.97Å; E715-A717 PolarHBondContact O-N 2.65Å; A717-L720 PolarHBondContact O-N 3.22Å; A717-R721 VanDerWaalsContact O-CG 3.32Å; A717-R721 WeakPolarHBondContact O-CG 3.21Å; A717-R721 PolarHBondContact O-N 3.31Å |
| 718 | E | 91.8 | Very high | 89.6 | Confident | 132 Ų | 132 | 79 Ų | 79 | 62% | 0.617 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -66.3 | -43.3 | -179.6 | -171.3 | 169.7 | -170.9 | 0 | 0 | 111.5 | N714 E715 C716 R721 R722 | N714-E718 PolarHBondContact O-N 2.79Å; E715-E718 PolarHBondContact O-N 2.56Å; C716-E718 PolarHBondContact O-N 3.19Å; E718-R721 PolarHBondContact O-N 3.24Å; E718-R722 WeakPolarHBondContact O-CB 3.39Å; E718-R722 PolarHBondContact O-N 3.3Å |
| 719 | Q | 93 | Very high | 89.5 | Confident | 61 Ų | 61 | 83.7 Ų | 83.7 | 29% | 0.285 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 173.7 | -75.1 | -64 | -8.1 | 0 | 0 | 111.7 | L707 E715 C716 R721 R722 L723 | L707-Q719 HydrophobicContact CD1-CB 3.95Å; E715-Q719 WeakPolarHBondContact O-CG 3.47Å; E715-Q719 PolarHBondContact O-N 2.84Å; C716-Q719 PolarHBondContact O-N 2.79Å; Q719-R721 VanDerWaalsContact C-N 3.31Å; Q719-R721 PolarHBondContact O-N 2.8Å; Q719-R722 WeakPolarHBondContact O-CA 3.34Å; Q719-R722 WeakPolarHBondContact O-CB 3.49Å; Q719-R722 PolarHBondContact O-N 3.27Å; Q719-L723 WeakPolarHBondContact O-CG 3.42Å; Q719-L723 PolarHBondContact O-N 3.45Å |
| 720 | L | 92.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 79.3 Ų | 79.3 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.4 | -40 | 177.2 | -74.2 | 172.1 | 0 | 0 | 0 | 112.4 | L707 C716 A717 R722 L723 A724 A747 H751 L754 F755 V758 | L707-L720 HydrophobicContact CD1-CD2 4.45Å; L707-L720 HydrophobicContact CD1-CG 4.43Å; L707-L720 HydrophobicContact CD2-CD2 3.7Å; L707-L720 HydrophobicContact CD2-CG 4.22Å; C716-L720 WeakPolarHBondContact O-CB 3.29Å; C716-L720 VanDerWaalsContact O-CG 3.25Å; C716-L720 WeakPolarHBondContact O-CG 3.45Å; C716-L720 PolarHBondContact O-N 3.14Å; A717-L720 PolarHBondContact O-N 3.22Å; L720-R722 VanDerWaalsContact C-N 3.33Å; L720-R722 PolarHBondContact O-N 3.35Å; L720-L723 PolarHBondContact O-N 2.91Å; L720-A724 WeakPolarHBondContact O-CB 3.34Å; L720-A724 PolarHBondContact O-N 3.34Å; L720-A747 HydrophobicContact CD1-CB 4.21Å; L720-H751 HydrophobicContact CD1-CB 4.07Å; L720-L754 HydrophobicContact CB-CD2 3.4Å; L720-L754 VanDerWaalsContact CB-CD2 3.4Å; L720-F755 HydrophobicContact CD1-CB 4.3Å; L720-F755 HydrophobicContact CD2-CD2 3.97Å; L720-V758 HydrophobicContact CD2-CG2 4.43Å |
| 721 | R | 93.3 | Very high | 88.9 | Confident | 135 Ų | 135 | 85.6 Ų | 85.6 | 51% | 0.509 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.2 | -34.5 | 174.1 | -72 | 177.3 | -163.2 | 135.7 | 3 | 112.5 | A717 E718 Q719 R725 L754 | A717-R721 VanDerWaalsContact O-CG 3.32Å; A717-R721 WeakPolarHBondContact O-CG 3.21Å; A717-R721 PolarHBondContact O-N 3.31Å; E718-R721 PolarHBondContact O-N 3.24Å; Q719-R721 VanDerWaalsContact C-N 3.31Å; Q719-R721 PolarHBondContact O-N 2.8Å; R721-R725 WeakPolarHBondContact O-CG 3.39Å; R721-R725 PolarHBondContact O-N 3.47Å; R721-R725 VanDerWaalsContact O-N 3.11Å; R721-R725 PolarHBondContact O-NE 3.23Å; R721-L754 HydrophobicContact CG-CD1 3.98Å; R721-L754 HydrophobicContact CG-CD2 3.95Å |
| 722 | R | 92.8 | Very high | 88.3 | Confident | 163 Ų | 163 | 81 Ų | 81 | 62% | 0.615 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -67.9 | -45.2 | 175.2 | -171.2 | 179.5 | -176.6 | 174.6 | 0.4 | 111 | E718 Q719 L720 R725 R726 | E718-R722 WeakPolarHBondContact O-CB 3.39Å; E718-R722 PolarHBondContact O-N 3.3Å; Q719-R722 WeakPolarHBondContact O-CA 3.34Å; Q719-R722 WeakPolarHBondContact O-CB 3.49Å; Q719-R722 PolarHBondContact O-N 3.27Å; L720-R722 VanDerWaalsContact C-N 3.33Å; L720-R722 PolarHBondContact O-N 3.35Å; R722-R725 PolarHBondContact O-N 3.39Å; R722-R726 PolarHBondContact O-N 3.34Å |
| 723 | L | 92 | Very high | 87.9 | Confident | 13 Ų | 13 | 82.3 Ų | 82.3 | 7% | 0.068 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 175.2 | -65.8 | -178.4 | 0 | 0 | 0 | 111.3 | L705 L707 Q719 L720 R725 R726 I727 L737 V758 | L705-L723 HydrophobicContact CB-CD2 4.01Å; L705-L723 HydrophobicContact CD1-CD2 4.42Å; L705-L723 HydrophobicContact CD2-CD2 4.17Å; L705-L723 HydrophobicContact CG-CD2 4.42Å; L707-L723 HydrophobicContact CB-CD1 4.41Å; Q719-L723 WeakPolarHBondContact O-CG 3.42Å; Q719-L723 PolarHBondContact O-N 3.45Å; L720-L723 PolarHBondContact O-N 2.91Å; L723-R725 VanDerWaalsContact C-N 3.31Å; L723-R725 PolarHBondContact O-N 3.01Å; L723-R726 PolarHBondContact O-N 3.21Å; L723-I727 WeakPolarHBondContact O-CG1 3.39Å; L723-I727 PolarHBondContact O-N 3.31Å; L723-L737 HydrophobicContact CD1-CD1 4.06Å; L723-V758 HydrophobicContact CB-CG1 4.3Å; L723-V758 HydrophobicContact CB-CG2 4.42Å |
| 724 | A | 90.8 | Very high | 87.7 | Confident | 10 Ų | 10 | 85 Ų | 85 | 8% | 0.083 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.5 | -38.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L720 K728 V758 | L720-A724 WeakPolarHBondContact O-CB 3.34Å; L720-A724 PolarHBondContact O-N 3.34Å; A724-K728 WeakPolarHBondContact O-CG 3.33Å; A724-K728 PolarHBondContact O-N 3.42Å; A724-V758 HydrophobicContact CB-CG2 3.9Å |
| 725 | R | 90.8 | Very high | 87.9 | Confident | 147 Ų | 147 | 78.8 Ų | 78.8 | 56% | 0.555 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.7 | -47.6 | 174 | -82.3 | -175.1 | -77.2 | 173.7 | -3.9 | 111.8 | R721 R722 L723 I727 K728 E729 | R721-R725 WeakPolarHBondContact O-CG 3.39Å; R721-R725 PolarHBondContact O-N 3.47Å; R721-R725 VanDerWaalsContact O-N 3.11Å; R721-R725 PolarHBondContact O-NE 3.23Å; R722-R725 PolarHBondContact O-N 3.39Å; L723-R725 VanDerWaalsContact C-N 3.31Å; L723-R725 PolarHBondContact O-N 3.01Å; R725-I727 VanDerWaalsContact C-N 3.31Å; R725-I727 PolarHBondContact O-N 3.46Å; R725-K728 WeakPolarHBondContact O-CB 3.43Å; R725-K728 PolarHBondContact O-N 3.37Å; R725-E729 WeakPolarHBondContact O-CG 3.3Å; R725-E729 PolarHBondContact O-N 2.88Å |
| 726 | R | 89.2 | Confident | 88 | Confident | 117 Ų | 117 | 75 Ų | 75 | 44% | 0.442 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.3 | -42.6 | 179.8 | -166.6 | 173.4 | -173.4 | -176.4 | 1 | 112.5 | R722 L723 K728 E729 D730 | R722-R726 PolarHBondContact O-N 3.34Å; L723-R726 PolarHBondContact O-N 3.21Å; R726-K728 VanDerWaalsContact C-N 3.28Å; R726-K728 PolarHBondContact O-N 3.4Å; R726-E729 PolarHBondContact O-N 3.22Å; R726-D730 WeakPolarHBondContact O-CB 3.48Å; R726-D730 PolarHBondContact O-N 3.05Å |
| 727 | I | 88.1 | Confident | 88.2 | Confident | 12 Ų | 12 | 75 Ų | 75 | 6% | 0.062 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.9 | -36.1 | 176.5 | -65.9 | 166.5 | 0 | 0 | 0 | 111.8 | L705 L723 R725 V758 N761 | L705-I727 HydrophobicContact CD1-CD1 3.67Å; L705-I727 HydrophobicContact CD1-CG1 3.53Å; L723-I727 WeakPolarHBondContact O-CG1 3.39Å; L723-I727 PolarHBondContact O-N 3.31Å; R725-I727 VanDerWaalsContact C-N 3.31Å; R725-I727 PolarHBondContact O-N 3.46Å; I727-V758 HydrophobicContact CD1-CB 4.47Å; I727-V758 HydrophobicContact CD1-CG1 3.77Å; I727-N761 HydrophobicContact CG2-CB 3.59Å |
| 728 | K | 86.5 | Confident | 88.4 | Confident | 129 Ų | 129 | 74.9 Ų | 74.9 | 56% | 0.561 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -71.7 | -36.3 | 177.7 | -74.4 | 175.3 | -176.9 | 171.4 | 0 | 112.2 | A724 R725 R726 E757 | A724-K728 WeakPolarHBondContact O-CG 3.33Å; A724-K728 PolarHBondContact O-N 3.42Å; R725-K728 WeakPolarHBondContact O-CB 3.43Å; R725-K728 PolarHBondContact O-N 3.37Å; R726-K728 VanDerWaalsContact C-N 3.28Å; R726-K728 PolarHBondContact O-N 3.4Å; K728-E757 WeakPolarHBondContact CE-OE1 3.38Å; K728-E757 IonicContact NZ-OE1 3.11Å; K728-E757 PolarHBondContact NZ-OE1 3.33Å |
| 729 | E | 86.3 | Confident | 88.6 | Confident | 138 Ų | 138 | 68.6 Ų | 68.6 | 65% | 0.645 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -68.7 | -46.4 | 176.5 | -70.3 | 166.2 | -172.5 | 0 | 0 | 110.7 | R725 R726 H731 | R725-E729 WeakPolarHBondContact O-CG 3.3Å; R725-E729 PolarHBondContact O-N 2.88Å; R726-E729 PolarHBondContact O-N 3.22Å; E729-H731 PolarHBondContact O-N 2.64Å |
| 730 | D | 82.8 | Confident | 88.5 | Confident | 56 Ų | 56 | 66.3 Ų | 66.3 | 30% | 0.299 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 41.5 | -173.8 | -67 | -26.8 | 0 | 0 | 0 | 113.9 | R726 V732 I733 H735 | R726-D730 WeakPolarHBondContact O-CB 3.48Å; R726-D730 PolarHBondContact O-N 3.05Å; D730-V732 PolarHBondContact O-N 3Å; D730-I733 PolarHBondContact O-N 2.8Å; D730-H735 PolarHBondContact O-CE1 3.46Å; D730-H735 VanDerWaalsContact O-CE1 3.3Å |
| 731 | H | 73.9 | Confident | 88.1 | Confident | 154 Ų | 154 | 66.5 Ų | 66.5 | 71% | 0.713 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -18.1 | -172.5 | 68.8 | -74.8 | 0 | 0 | 0 | 116.4 | E729 | E729-H731 PolarHBondContact O-N 2.64Š|
| 732 | V | 74.1 | Confident | 87.7 | Confident | 121 Ų | 121 | 62.7 Ų | 62.7 | 73% | 0.733 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -26.3 | 179.4 | -175.7 | 0 | 0 | 0 | 0 | 112 | D730 | D730-V732 PolarHBondContact O-N 3Š|
| 733 | I | 79.7 | Confident | 87.6 | Confident | 81 Ų | 81 | 54.9 Ų | 54.9 | 42% | 0.415 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -94.2 | 136.8 | -173.2 | -56.6 | 175.6 | 0 | 0 | 0 | 109.8 | N703 D730 H735 | N703-I733 HydrophobicContact CB-CG2 3.98Å; D730-I733 PolarHBondContact O-N 2.8Å; I733-H735 PolarHBondContact O-CE1 2.89Å; I733-H735 VanDerWaalsContact O-CE1 3.23Å; I733-H735 PolarHBondContact O-ND1 2.84Å |
| 734 | Q | 85 | Confident | 87.5 | Confident | 98 Ų | 98 | 54.3 Ų | 54.3 | 46% | 0.458 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 128.7 | 171.7 | -70.3 | -175.3 | -10.5 | 0 | 0 | 110.4 | M702 N703 | M702-Q734 WeakPolarHBondContact CA-O 3.49Å; M702-Q734 HydrophobicContact CE-CB 4.14Å; M702-Q734 VanDerWaalsContact CE-OE1 3.23Å; M702-Q734 HydrophobicContact CG-CB 3.94Å; N703-Q734 PolarHBondContact N-O 3.36Å; N703-Q734 VanDerWaalsContact N-O 3.07Å |
| 735 | H | 91.3 | Very high | 87.4 | Confident | 5 Ų | 5 | 56.3 Ų | 56.3 | 2% | 0.023 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 136.5 | -179 | -64.5 | 88.5 | 0 | 0 | 0 | 111.4 | N703 L705 D730 I733 C762 S763 | N703-H735 WeakPolarHBondContact O-CA 3.49Å; L705-H735 HydrophobicContact CD1-CB 4.18Å; D730-H735 PolarHBondContact O-CE1 3.46Å; D730-H735 VanDerWaalsContact O-CE1 3.3Å; I733-H735 PolarHBondContact O-CE1 2.89Å; I733-H735 VanDerWaalsContact O-CE1 3.23Å; I733-H735 PolarHBondContact O-ND1 2.84Å; H735-C762 WeakPolarHBondContact O-CA 3.21Å; H735-S763 PolarHBondContact O-N 2.91Å |
| 736 | G | 92.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 148.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | N703 L705 A764 | N703-G736 PolarHBondContact O-N 3.4Å; L705-G736 WeakPolarHBondContact CB-O 3.11Å; L705-G736 PolarHBondContact N-O 3.22Å; G736-A764 WeakPolarHBondContact CA-O 2.84Å |
| 737 | L | 95.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 133.4 | 174.5 | -178.4 | 69.6 | 0 | 0 | 0 | 110.7 | L705 L723 V739 F755 V758 C762 A764 V765 L766 | L705-L737 HydrophobicContact CB-CD1 4Å; L705-L737 CarbonylContact O-C 3.05Å; L705-L737 WeakPolarHBondContact O-CA 3.1Å; L723-L737 HydrophobicContact CD1-CD1 4.06Å; L737-V739 HydrophobicContact CD1-CG2 4.36Å; L737-V739 HydrophobicContact CD2-CG2 3.71Å; L737-V739 HydrophobicContact CG-CG2 3.7Å; L737-F755 HydrophobicContact CD2-CE2 4.23Å; L737-V758 HydrophobicContact CD1-CG1 4.29Å; L737-V758 HydrophobicContact CD2-CG1 4.07Å; L737-C762 HydrophobicContact CB-CB 4.3Å; L737-A764 PolarHBondContact N-O 2.8Å; L737-V765 HydrophobicContact CB-CG1 4.42Å; L737-V765 HydrophobicContact CB-CG2 4.33Å; L737-V765 HydrophobicContact CD2-CG1 4.37Å; L737-V765 CarbonylContact O-C 3.52Å; L737-V765 WeakPolarHBondContact O-CA 3.48Å; L737-L766 PolarHBondContact O-N 3.01Å |
| 738 | V | 95.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 128.1 | 172.1 | -171 | 0 | 0 | 0 | 0 | 109.9 | H685 V689 F698 I704 L705 E706 L707 L708 L766 | H685-V738 WeakPolarHBondContact ND1-CG1 3.23Å; V689-V738 HydrophobicContact CG2-CG1 4.29Å; V689-V738 HydrophobicContact CG2-CG2 4.19Å; F698-V738 HydrophobicContact CE2-CG2 3.79Å; F698-V738 HydrophobicContact CZ-CG2 3.91Å; I704-V738 HydrophobicContact CG2-CG2 3.61Å; L705-V738 PolarHBondContact O-N 3.49Å; E706-V738 HydrophobicContact CG-CB 4.48Å; L707-V738 PolarHBondContact N-O 2.76Å; L708-V738 HydrophobicContact CD2-CG1 4.39Å; V738-L766 CarbonylContact C-O 3.55Å; V738-L766 VanDerWaalsContact CA-O 3.3Å; V738-L766 WeakPolarHBondContact CA-O 3.43Å; V738-L766 HydrophobicContact CG1-CD2 4.12Å; V738-L766 HydrophobicContact CG1-CG 4.41Å; V738-L766 HydrophobicContact CG2-CB 4.33Å; V738-L766 HydrophobicContact CG2-CD2 4.26Å |
| 739 | V | 94.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 137.8 | -176.6 | -167.3 | 0 | 0 | 0 | 0 | 109.9 | L707 L737 L744 F755 L766 C767 C768 | L707-V739 HydrophobicContact CB-CG1 4.36Å; L707-V739 HydrophobicContact CB-CG2 4.38Å; L707-V739 HydrophobicContact CD2-CG1 4.05Å; L707-V739 HydrophobicContact CG-CG1 4.48Å; L707-V739 WeakPolarHBondContact O-CA 3.28Å; L737-V739 HydrophobicContact CD1-CG2 4.36Å; L737-V739 HydrophobicContact CD2-CG2 3.71Å; L737-V739 HydrophobicContact CG-CG2 3.7Å; V739-L744 HydrophobicContact CG1-CB 3.92Å; V739-L744 HydrophobicContact CG1-CD1 4.44Å; V739-F755 HydrophobicContact CG1-CE2 4.41Å; V739-F755 HydrophobicContact CG2-CE2 3.97Å; V739-F755 HydrophobicContact CG2-CZ 4.33Å; V739-L766 PolarHBondContact N-O 2.92Å; V739-C767 CarbonylContact O-C 3.58Å; V739-C767 VanDerWaalsContact O-CA 3.31Å; V739-C767 WeakPolarHBondContact O-CA 3.35Å; V739-C768 PolarHBondContact O-N 3.3Å; V739-C768 PolarHBondContact O-SG 3.05Å |
| 740 | D | 90.4 | Very high | 87.1 | Confident | 14 Ų | 14 | 48.6 Ų | 48.6 | 8% | 0.075 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 155.3 | 171.1 | 71.2 | -20.6 | 0 | 0 | 0 | 112.7 | L707 L708 Q709 A742 S743 L744 C768 | L707-D740 PolarHBondContact O-N 3.14Å; L708-D740 HydrophobicContact CD2-CB 3.92Å; Q709-D740 PolarHBondContact N-OD1 2.93Å; Q709-D740 PolarHBondContact N-OD2 3.28Å; D740-A742 PolarHBondContact O-N 3.07Å; D740-A742 VanDerWaalsContact O-N 3.14Å; D740-S743 PolarHBondContact O-N 3.39Å; D740-S743 WeakPolarHBondContact OD1-CB 3.35Å; D740-S743 PolarHBondContact OD1-N 3.38Å; D740-S743 VanDerWaalsContact OD1-N 3.15Å; D740-S743 PolarHBondContact OD1-OG 3.05Å; D740-L744 VanDerWaalsContact O-CB 3.31Å; D740-L744 WeakPolarHBondContact O-CB 3.39Å; D740-L744 PolarHBondContact O-N 3.37Å; D740-C768 CarbonylContact C-O 3.43Å; D740-C768 WeakPolarHBondContact CA-O 3.45Å |
| 741 | G | 84.3 | Confident | 87.3 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.2 | -28 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | S745 C768 Q774 | G741-S745 PolarHBondContact O-N 3.45Å; G741-S745 PolarHBondContact O-OG 3.08Å; G741-C768 PolarHBondContact N-O 3.39Å; G741-Q774 PolarHBondContact O-NE2 3.19Å; G741-Q774 VanDerWaalsContact O-NE2 3.09Å |
| 742 | A | 85.6 | Confident | 88 | Confident | 55 Ų | 55 | 44.4 Ų | 44.4 | 46% | 0.455 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69.9 | -55.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D740 L744 S745 L746 | D740-A742 PolarHBondContact O-N 3.07Å; D740-A742 VanDerWaalsContact O-N 3.14Å; A742-L744 VanDerWaalsContact C-N 3.28Å; A742-L744 PolarHBondContact O-N 2.92Å; A742-S745 WeakPolarHBondContact O-CB 3.41Å; A742-S745 PolarHBondContact O-N 3.22Å; A742-S745 VanDerWaalsContact O-N 3.11Å; A742-L746 PolarHBondContact O-N 2.96Å |
| 743 | S | 90.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.8 | -35 | 179.1 | -49 | 0 | 0 | 0 | 0 | 111.9 | Q709 Q710 D740 S745 L746 A747 | Q709-S743 PolarHBondContact N-OG 3Å; Q710-S743 WeakPolarHBondContact CB-OG 3.3Å; Q710-S743 WeakPolarHBondContact CG-OG 3.44Å; Q710-S743 PolarHBondContact N-OG 3.16Å; D740-S743 PolarHBondContact O-N 3.39Å; D740-S743 WeakPolarHBondContact OD1-CB 3.35Å; D740-S743 PolarHBondContact OD1-N 3.38Å; D740-S743 VanDerWaalsContact OD1-N 3.15Å; D740-S743 PolarHBondContact OD1-OG 3.05Å; S743-S745 VanDerWaalsContact C-N 3.29Å; S743-S745 PolarHBondContact O-N 3.23Å; S743-L746 PolarHBondContact O-N 3.12Å; S743-A747 WeakPolarHBondContact O-CB 3.12Å; S743-A747 PolarHBondContact O-N 3Å |
| 744 | L | 90.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.7 | -40.4 | 174.1 | -179 | 67.5 | 0 | 0 | 0 | 111.8 | V739 D740 A742 L746 A747 L748 F755 M770 V778 | V739-L744 HydrophobicContact CG1-CB 3.92Å; V739-L744 HydrophobicContact CG1-CD1 4.44Å; D740-L744 VanDerWaalsContact O-CB 3.31Å; D740-L744 WeakPolarHBondContact O-CB 3.39Å; D740-L744 PolarHBondContact O-N 3.37Å; A742-L744 VanDerWaalsContact C-N 3.28Å; A742-L744 PolarHBondContact O-N 2.92Å; L744-L746 VanDerWaalsContact C-N 3.3Å; L744-L746 PolarHBondContact O-N 3.36Å; L744-A747 PolarHBondContact O-N 3.45Å; L744-L748 HydrophobicContact CD1-CD1 4.02Å; L744-L748 HydrophobicContact CD1-CD2 4.36Å; L744-L748 HydrophobicContact CD1-CG 3.94Å; L744-L748 HydrophobicContact CD2-CD1 4.33Å; L744-L748 HydrophobicContact CG-CD1 3.81Å; L744-L748 HydrophobicContact CG-CG 4.12Å; L744-L748 WeakPolarHBondContact O-CB 3.38Å; L744-L748 WeakPolarHBondContact O-CG 3.45Å; L744-L748 PolarHBondContact O-N 3.05Å; L744-F755 HydrophobicContact CD1-CE1 3.68Å; L744-F755 HydrophobicContact CD1-CE2 4.31Å; L744-F755 HydrophobicContact CD1-CZ 3.53Å; L744-M770 HydrophobicContact CD2-CE 3.35Å; L744-M770 HydrophobicContact CD2-SD 4.33Å; L744-V778 HydrophobicContact CD1-CG2 4.12Å; L744-V778 HydrophobicContact CD2-CG2 3.65Å; L744-V778 HydrophobicContact CG-CG2 4.4Å |
| 745 | S | 87.4 | Confident | 89.6 | Confident | 53 Ų | 53 | 41.4 Ų | 41.4 | 37% | 0.371 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.2 | -37.5 | -179.9 | -61.8 | 0 | 0 | 0 | 0 | 112.3 | G741 A742 S743 R749 Q774 | G741-S745 PolarHBondContact O-N 3.45Å; G741-S745 PolarHBondContact O-OG 3.08Å; A742-S745 WeakPolarHBondContact O-CB 3.41Å; A742-S745 PolarHBondContact O-N 3.22Å; A742-S745 VanDerWaalsContact O-N 3.11Å; S743-S745 VanDerWaalsContact C-N 3.29Å; S743-S745 PolarHBondContact O-N 3.23Å; S745-R749 PolarHBondContact O-N 3.42Å; S745-Q774 PolarHBondContact OG-NE2 3.07Å |
| 746 | L | 89.4 | Confident | 89.5 | Confident | 35 Ų | 35 | 41.8 Ų | 41.8 | 18% | 0.183 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.8 | -47.3 | 174.2 | -58.8 | 174.3 | 0 | 0 | 0 | 110.5 | Q710 D713 C716 A742 S743 L744 L748 R749 | Q710-L746 HydrophobicContact CB-CD1 4.01Å; Q710-L746 VanDerWaalsContact O-CD1 3.27Å; Q710-L746 WeakPolarHBondContact O-CD1 3.35Å; D713-L746 WeakPolarHBondContact OD1-CD2 3.49Å; C716-L746 HydrophobicContact CB-CB 4.33Å; A742-L746 PolarHBondContact O-N 2.96Å; S743-L746 PolarHBondContact O-N 3.12Å; L744-L746 VanDerWaalsContact C-N 3.3Å; L744-L746 PolarHBondContact O-N 3.36Å; L746-L748 VanDerWaalsContact C-N 3.32Å; L746-L748 PolarHBondContact O-N 3.13Å; L746-R749 WeakPolarHBondContact O-CB 3.24Å; L746-R749 PolarHBondContact O-N 3.31Å; L746-R749 VanDerWaalsContact O-N 3.08Å |
| 747 | A | 90.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.5 | -41.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L720 S743 L744 R749 H751 E752 F755 | L720-A747 HydrophobicContact CD1-CB 4.21Å; S743-A747 WeakPolarHBondContact O-CB 3.12Å; S743-A747 PolarHBondContact O-N 3Å; L744-A747 PolarHBondContact O-N 3.45Å; A747-R749 VanDerWaalsContact C-N 3.29Å; A747-R749 PolarHBondContact O-N 3.1Å; A747-H751 CarbonylContact O-C 3.38Å; A747-H751 WeakPolarHBondContact O-CA 3.29Å; A747-H751 PolarHBondContact O-N 3.32Å; A747-H751 VanDerWaalsContact O-N 3.13Å; A747-E752 PolarHBondContact O-N 3.06Å; A747-F755 HydrophobicContact CB-CB 4.25Å; A747-F755 HydrophobicContact CB-CD2 4.1Å; A747-F755 HydrophobicContact CB-CG 4.13Å |
| 748 | L | 87.8 | Confident | 89.1 | Confident | 34 Ų | 34 | 45.3 Ų | 45.3 | 18% | 0.178 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -73.4 | -15.9 | 179 | -68.2 | 178.8 | 0 | 0 | 0 | 113.9 | L744 L746 F755 K777 L781 | L744-L748 HydrophobicContact CD1-CD1 4.02Å; L744-L748 HydrophobicContact CD1-CD2 4.36Å; L744-L748 HydrophobicContact CD1-CG 3.94Å; L744-L748 HydrophobicContact CD2-CD1 4.33Å; L744-L748 HydrophobicContact CG-CD1 3.81Å; L744-L748 HydrophobicContact CG-CG 4.12Å; L744-L748 WeakPolarHBondContact O-CB 3.38Å; L744-L748 WeakPolarHBondContact O-CG 3.45Å; L744-L748 PolarHBondContact O-N 3.05Å; L746-L748 VanDerWaalsContact C-N 3.32Å; L746-L748 PolarHBondContact O-N 3.13Å; L748-F755 HydrophobicContact CD2-CD1 4.4Å; L748-K777 HydrophobicContact CD1-CB 4.17Å; L748-L781 HydrophobicContact CD2-CD2 3.56Å |
| 749 | R | 85.3 | Confident | 88.9 | Confident | 188 Ų | 188 | 45.3 Ų | 45.3 | 71% | 0.709 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -80.8 | -54.8 | -176.2 | -171.5 | -177.9 | 177.1 | 160.4 | -1.1 | 112.1 | S745 L746 A747 | S745-R749 PolarHBondContact O-N 3.42Å; L746-R749 WeakPolarHBondContact O-CB 3.24Å; L746-R749 PolarHBondContact O-N 3.31Å; L746-R749 VanDerWaalsContact O-N 3.08Å; A747-R749 VanDerWaalsContact C-N 3.29Å; A747-R749 PolarHBondContact O-N 3.1Å |
| 750 | E | 82.3 | Confident | 88.5 | Confident | 124 Ų | 124 | 47.3 Ų | 47.3 | 58% | 0.579 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -122.6 | -11.8 | -174.3 | -61.6 | -162.2 | 167.9 | 0 | 0 | 114.1 | ||
| 751 | H | 88.4 | Confident | 88.4 | Confident | 34 Ų | 34 | 50.6 Ų | 50.6 | 16% | 0.157 | 25% | 0.247 | C | C | . | . | trans | -124.3 | 25.1 | -169.9 | -55.4 | -42.2 | 0 | 0 | 0 | 113.7 | D713 L720 A747 K753 L754 F755 | D713-H751 PolarHBondContact O-NE2 3.27Å; L720-H751 HydrophobicContact CD1-CB 4.07Å; A747-H751 CarbonylContact O-C 3.38Å; A747-H751 WeakPolarHBondContact O-CA 3.29Å; A747-H751 PolarHBondContact O-N 3.32Å; A747-H751 VanDerWaalsContact O-N 3.13Å; H751-K753 VanDerWaalsContact C-N 3.3Å; H751-K753 PolarHBondContact O-N 3.37Å; H751-L754 PolarHBondContact O-N 2.9Å; H751-F755 PolarHBondContact O-N 3.46Å | ||
| 752 | E | 88.4 | Confident | 88.7 | Confident | 88 Ų | 88 | 50.5 Ų | 50.5 | 41% | 0.411 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -51.1 | -45.8 | -175.5 | -172.1 | -177.4 | 166.4 | 0 | 0 | 112.8 | A747 L754 M756 L781 | A747-E752 PolarHBondContact O-N 3.06Å; E752-L754 PolarHBondContact O-N 3.48Å; E752-M756 WeakPolarHBondContact O-CB 3.4Å; E752-M756 VanDerWaalsContact O-CG 3.28Å; E752-M756 WeakPolarHBondContact O-CG 3.34Å; E752-M756 PolarHBondContact O-N 3.39Å; E752-L781 VanDerWaalsContact CD-CD1 3.44Å; E752-L781 HydrophobicContact CG-CD1 3.13Å; E752-L781 HydrophobicContact CG-CG 4.47Å; E752-L781 WeakPolarHBondContact OE1-CD1 3.29Å |
| 753 | K | 88.8 | Confident | 88.8 | Confident | 189 Ų | 189 | 50 Ų | 50 | 82% | 0.822 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -64.8 | -40.9 | -179.6 | -65.9 | -177.5 | -178.6 | 176.7 | 0 | 112.7 | H751 M756 E757 | H751-K753 VanDerWaalsContact C-N 3.3Å; H751-K753 PolarHBondContact O-N 3.37Å; K753-M756 PolarHBondContact O-N 3.3Å; K753-E757 PolarHBondContact O-N 3.08Å |
| 754 | L | 90.1 | Very high | 88.8 | Confident | 47 Ų | 47 | 50 Ų | 50 | 25% | 0.246 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -75.7 | -39.9 | -175.3 | -147.2 | 136.9 | 0 | 0 | 0 | 110.3 | L720 R721 H751 E752 M756 E757 V758 | L720-L754 HydrophobicContact CB-CD2 3.4Å; L720-L754 VanDerWaalsContact CB-CD2 3.4Å; R721-L754 HydrophobicContact CG-CD1 3.98Å; R721-L754 HydrophobicContact CG-CD2 3.95Å; H751-L754 PolarHBondContact O-N 2.9Å; E752-L754 PolarHBondContact O-N 3.48Å; L754-M756 VanDerWaalsContact C-N 3.3Å; L754-M756 PolarHBondContact O-N 3.36Å; L754-E757 PolarHBondContact O-N 3.32Å; L754-V758 WeakPolarHBondContact O-CG2 3.41Å; L754-V758 PolarHBondContact O-N 2.87Å |
| 755 | F | 92.3 | Very high | 89 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.5 | -43.9 | 169.3 | -179.8 | -113.3 | 0 | 0 | 0 | 111.8 | L707 L720 L737 V739 L744 A747 L748 H751 E757 V758 C759 L781 | L707-F755 HydrophobicContact CD2-CD2 4.48Å; L707-F755 HydrophobicContact CD2-CE2 4.47Å; L720-F755 HydrophobicContact CD1-CB 4.3Å; L720-F755 HydrophobicContact CD2-CD2 3.97Å; L737-F755 HydrophobicContact CD2-CE2 4.23Å; V739-F755 HydrophobicContact CG1-CE2 4.41Å; V739-F755 HydrophobicContact CG2-CE2 3.97Å; V739-F755 HydrophobicContact CG2-CZ 4.33Å; L744-F755 HydrophobicContact CD1-CE1 3.68Å; L744-F755 HydrophobicContact CD1-CE2 4.31Å; L744-F755 HydrophobicContact CD1-CZ 3.53Å; A747-F755 HydrophobicContact CB-CB 4.25Å; A747-F755 HydrophobicContact CB-CD2 4.1Å; A747-F755 HydrophobicContact CB-CG 4.13Å; L748-F755 HydrophobicContact CD2-CD1 4.4Å; H751-F755 PolarHBondContact O-N 3.46Å; F755-E757 PolarHBondContact O-N 3.17Å; F755-V758 PolarHBondContact O-N 3.16Å; F755-C759 VanDerWaalsContact CE2-SG 3.55Å; F755-C759 WeakPolarHBondContact CZ-SG 3.32Å; F755-C759 PolarHBondContact O-N 3.16Å; F755-C759 PolarHBondContact O-SG 3.2Å; F755-L781 HydrophobicContact CD1-CD2 3.86Å; F755-L781 HydrophobicContact CE1-CD2 4Å |
| 756 | M | 89.6 | Confident | 89.4 | Confident | 14 Ų | 14 | 47.5 Ų | 47.5 | 7% | 0.069 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.4 | -38.1 | 177.3 | -81.8 | -58.8 | -70.5 | 0 | 0 | 114.1 | E752 K753 L754 C759 K760 L781 L782 | E752-M756 WeakPolarHBondContact O-CB 3.4Å; E752-M756 VanDerWaalsContact O-CG 3.28Å; E752-M756 WeakPolarHBondContact O-CG 3.34Å; E752-M756 PolarHBondContact O-N 3.39Å; K753-M756 PolarHBondContact O-N 3.3Å; L754-M756 VanDerWaalsContact C-N 3.3Å; L754-M756 PolarHBondContact O-N 3.36Å; M756-C759 PolarHBondContact O-N 2.98Å; M756-K760 HydrophobicContact CE-CG 4.48Å; M756-K760 WeakPolarHBondContact O-CB 3.4Å; M756-K760 VanDerWaalsContact O-CG 3.25Å; M756-K760 WeakPolarHBondContact O-CG 3.4Å; M756-K760 PolarHBondContact O-N 3.28Å; M756-L781 HydrophobicContact CG-CD1 3.52Å; M756-L781 HydrophobicContact CG-CD2 3.87Å; M756-L781 HydrophobicContact CG-CG 3.78Å; M756-L781 HydrophobicContact SD-CD1 3.88Å; M756-L781 HydrophobicContact SD-CD2 3.48Å; M756-L781 WeakPolarHBondContact SD-CD2 3.36Å; M756-L781 HydrophobicContact SD-CG 3.43Å; M756-L781 WeakPolarHBondContact SD-CG 3.2Å; M756-L782 HydrophobicContact CE-CD2 3.41Å; M756-L782 VanDerWaalsContact CE-CD2 3.41Å; M756-L782 HydrophobicContact CE-CG 3.82Å; M756-L782 HydrophobicContact SD-CD2 4.42Å; M756-L782 HydrophobicContact SD-CG 4.27Å |
| 757 | E | 88.9 | Confident | 89.6 | Confident | 74 Ų | 74 | 45.9 Ų | 45.9 | 35% | 0.346 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.6 | -45.7 | 175.2 | -174 | -179.6 | 168.9 | 0 | 0 | 111.2 | K728 K753 L754 F755 N761 | K728-E757 WeakPolarHBondContact CE-OE1 3.38Å; K728-E757 IonicContact NZ-OE1 3.11Å; K728-E757 PolarHBondContact NZ-OE1 3.33Å; K753-E757 PolarHBondContact O-N 3.08Å; L754-E757 PolarHBondContact O-N 3.32Å; F755-E757 PolarHBondContact O-N 3.17Å; E757-N761 PolarHBondContact O-N 3.32Å; E757-N761 PolarHBondContact O-ND2 3.37Å |
| 758 | V | 91.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.2 | -52.1 | 176.4 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | L720 L723 A724 I727 L737 L754 F755 K760 N761 C762 | L720-V758 HydrophobicContact CD2-CG2 4.43Å; L723-V758 HydrophobicContact CB-CG1 4.3Å; L723-V758 HydrophobicContact CB-CG2 4.42Å; A724-V758 HydrophobicContact CB-CG2 3.9Å; I727-V758 HydrophobicContact CD1-CB 4.47Å; I727-V758 HydrophobicContact CD1-CG1 3.77Å; L737-V758 HydrophobicContact CD1-CG1 4.29Å; L737-V758 HydrophobicContact CD2-CG1 4.07Å; L754-V758 WeakPolarHBondContact O-CG2 3.41Å; L754-V758 PolarHBondContact O-N 2.87Å; F755-V758 PolarHBondContact O-N 3.16Å; V758-K760 VanDerWaalsContact C-N 3.31Å; V758-K760 PolarHBondContact O-N 2.87Å; V758-N761 PolarHBondContact O-N 3.43Å; V758-C762 PolarHBondContact O-N 3.11Å; V758-C762 PolarHBondContact O-SG 3.2Å; V758-C762 VanDerWaalsContact O-SG 3.36Å |
| 759 | C | 90.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63 | -34.8 | -175.7 | -65.7 | 0 | 0 | 0 | 0 | 113.6 | W678 F755 M756 N761 C762 V765 | W678-C759 HydrophobicContact CH2-CB 3.38Å; W678-C759 HydrophobicContact CZ2-CB 3.59Å; W678-C759 HydrophobicContact CZ3-CB 4.44Å; F755-C759 VanDerWaalsContact CE2-SG 3.55Å; F755-C759 WeakPolarHBondContact CZ-SG 3.32Å; F755-C759 PolarHBondContact O-N 3.16Å; F755-C759 PolarHBondContact O-SG 3.2Å; M756-C759 PolarHBondContact O-N 2.98Å; C759-N761 VanDerWaalsContact C-N 3.3Å; C759-N761 PolarHBondContact O-N 2.96Å; C759-C762 PolarHBondContact O-N 3.02Å; C759-V765 HydrophobicContact CB-CG2 4.45Å |
| 760 | K | 86.4 | Confident | 88.9 | Confident | 42 Ų | 42 | 41.5 Ų | 41.5 | 18% | 0.183 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.6 | -34.2 | 178.7 | -80.7 | 178.9 | 174.7 | -166.2 | 0 | 113 | K676 M756 V758 E787 | K676-K760 PolarHBondContact NZ-O 3.38Å; M756-K760 HydrophobicContact CE-CG 4.48Å; M756-K760 WeakPolarHBondContact O-CB 3.4Å; M756-K760 VanDerWaalsContact O-CG 3.25Å; M756-K760 WeakPolarHBondContact O-CG 3.4Å; M756-K760 PolarHBondContact O-N 3.28Å; V758-K760 VanDerWaalsContact C-N 3.31Å; V758-K760 PolarHBondContact O-N 2.87Å; K760-E787 IonicContact NZ-OE1 3.27Å; K760-E787 PolarHBondContact NZ-OE1 3.02Å; K760-E787 IonicContact NZ-OE2 2.76Å; K760-E787 PolarHBondContact NZ-OE2 3.4Å |
| 761 | N | 88.5 | Confident | 88.6 | Confident | 83 Ų | 83 | 37.7 Ų | 37.7 | 44% | 0.444 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -85.1 | -15.6 | -179 | -63.9 | -27.1 | 0 | 0 | 0 | 112.5 | I727 E757 V758 C759 | I727-N761 HydrophobicContact CG2-CB 3.59Å; E757-N761 PolarHBondContact O-N 3.32Å; E757-N761 PolarHBondContact O-ND2 3.37Å; V758-N761 PolarHBondContact O-N 3.43Å; C759-N761 VanDerWaalsContact C-N 3.3Å; C759-N761 PolarHBondContact O-N 2.96Å |
| 762 | C | 89.9 | Confident | 87.9 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | trans | -76.8 | 141.8 | 169.4 | -63.7 | 0 | 0 | 0 | 0 | 111.2 | H735 L737 V758 C759 V765 | H735-C762 WeakPolarHBondContact O-CA 3.21Å; L737-C762 HydrophobicContact CB-CB 4.3Å; V758-C762 PolarHBondContact O-N 3.11Å; V758-C762 PolarHBondContact O-SG 3.2Å; V758-C762 VanDerWaalsContact O-SG 3.36Å; C759-C762 PolarHBondContact O-N 3.02Å; C762-V765 HydrophobicContact CB-CG2 4.14Å | ||
| 763 | S | 87.3 | Confident | 87.3 | Confident | 44 Ų | 44 | 40.3 Ų | 40.3 | 31% | 0.308 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -80.1 | -28.5 | 177.7 | -63.7 | 0 | 0 | 0 | 0 | 112.3 | H735 | H735-S763 PolarHBondContact O-N 2.91Š|
| 764 | A | 91.6 | Very high | 87 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 139 | -177.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | H697 F698 G736 L737 | H697-A764 WeakPolarHBondContact NE2-CB 3.02Å; H697-A764 WeakPolarHBondContact O-CB 3.26Å; F698-A764 HydrophobicContact CD1-CB 3.65Å; F698-A764 HydrophobicContact CE1-CB 3.55Å; G736-A764 WeakPolarHBondContact CA-O 2.84Å; L737-A764 PolarHBondContact N-O 2.8Å |
| 765 | V | 95.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 128.4 | 179.8 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | W678 V679 H697 L737 C759 C762 | W678-V765 CarbonylContact C-O 3.57Å; W678-V765 VanDerWaalsContact CA-O 3.3Å; W678-V765 WeakPolarHBondContact CA-O 3.35Å; W678-V765 HydrophobicContact CD2-CB 3.66Å; W678-V765 HydrophobicContact CD2-CG1 4.15Å; W678-V765 HydrophobicContact CD2-CG2 3.99Å; W678-V765 HydrophobicContact CE3-CB 4.07Å; W678-V765 HydrophobicContact CE3-CG1 4.02Å; W678-V765 HydrophobicContact CG-CB 3.87Å; W678-V765 HydrophobicContact CG-CG2 4.41Å; W678-V765 HydrophobicContact CH2-CG2 4.43Å; W678-V765 HydrophobicContact CZ2-CB 4.38Å; W678-V765 HydrophobicContact CZ2-CG2 3.82Å; W678-V765 HydrophobicContact CZ3-CG1 4.31Å; V679-V765 PolarHBondContact N-O 3.21Å; H697-V765 PolarHBondContact CE1-O 3.01Å; L737-V765 HydrophobicContact CB-CG1 4.42Å; L737-V765 HydrophobicContact CB-CG2 4.33Å; L737-V765 HydrophobicContact CD2-CG1 4.37Å; L737-V765 CarbonylContact O-C 3.52Å; L737-V765 WeakPolarHBondContact O-CA 3.48Å; C759-V765 HydrophobicContact CB-CG2 4.45Å; C762-V765 HydrophobicContact CB-CG2 4.14Å |
| 766 | L | 95.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 121.2 | 176.9 | 177.3 | 65.3 | 0 | 0 | 0 | 109.1 | V679 T681 A688 V689 F698 L737 V738 V739 | V679-L766 HydrophobicContact CB-CD1 3.63Å; V679-L766 HydrophobicContact CG1-CD1 3.62Å; V679-L766 WeakPolarHBondContact O-CA 2.92Å; T681-L766 HydrophobicContact CG2-CD1 4.34Å; A688-L766 HydrophobicContact CB-CD1 4.12Å; A688-L766 HydrophobicContact CB-CD2 3.87Å; A688-L766 HydrophobicContact CB-CG 4.32Å; V689-L766 HydrophobicContact CG2-CD2 3.82Å; F698-L766 HydrophobicContact CE2-CB 3.91Å; F698-L766 HydrophobicContact CE2-CD2 3.92Å; F698-L766 HydrophobicContact CZ-CB 3.66Å; L737-L766 PolarHBondContact O-N 3.01Å; V738-L766 CarbonylContact C-O 3.55Å; V738-L766 VanDerWaalsContact CA-O 3.3Å; V738-L766 WeakPolarHBondContact CA-O 3.43Å; V738-L766 HydrophobicContact CG1-CD2 4.12Å; V738-L766 HydrophobicContact CG1-CG 4.41Å; V738-L766 HydrophobicContact CG2-CB 4.33Å; V738-L766 HydrophobicContact CG2-CD2 4.26Å; V739-L766 PolarHBondContact N-O 2.92Å |
| 767 | C | 93.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 124.5 | 170.6 | -59.2 | 0 | 0 | 0 | 0 | 109.3 | V679 L680 T681 V739 M770 | V679-C767 PolarHBondContact O-N 3.5Å; L680-C767 HydrophobicContact CD2-CB 3.7Å; T681-C767 WeakPolarHBondContact CG2-O 3.17Å; T681-C767 PolarHBondContact N-O 3.17Å; V739-C767 CarbonylContact O-C 3.58Å; V739-C767 VanDerWaalsContact O-CA 3.31Å; V739-C767 WeakPolarHBondContact O-CA 3.35Å; C767-M770 HydrophobicContact CB-CE 4.49Å; C767-M770 HydrophobicContact CB-CG 3.82Å; C767-M770 HydrophobicContact CB-SD 3.21Å; C767-M770 WeakPolarHBondContact CB-SD 3.43Å |
| 768 | C | 87.8 | Confident | 86.9 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 163.2 | -177.9 | 70 | 0 | 0 | 0 | 0 | 111.5 | T681 D683 A688 V739 D740 G741 M770 | T681-C768 HydrophobicContact CG2-CB 4.36Å; T681-C768 CarbonylContact O-C 3.49Å; T681-C768 WeakPolarHBondContact O-CA 3.08Å; D683-C768 WeakPolarHBondContact O-CB 3.45Å; A688-C768 HydrophobicContact CB-CB 4.07Å; V739-C768 PolarHBondContact O-N 3.3Å; V739-C768 PolarHBondContact O-SG 3.05Å; D740-C768 CarbonylContact C-O 3.43Å; D740-C768 WeakPolarHBondContact CA-O 3.45Å; G741-C768 PolarHBondContact N-O 3.39Å; C768-M770 PolarHBondContact O-N 3.5Å |
| 769 | R | 81.5 | Confident | 87 | Confident | 120 Ų | 120 | 33.7 Ų | 33.7 | 45% | 0.453 | 18% | 0.175 | S | C | . | . | S | Bend | trans | 51.6 | 37 | -177.2 | -59 | -179.3 | 176.4 | -109.5 | 3.4 | 113.1 | T681 D683 | T681-R769 PolarHBondContact O-N 3.12Å; T681-R769 VanDerWaalsContact O-N 3.17Å; D683-R769 PolarHBondContact O-N 3.48Å |
| 770 | M | 79.1 | Confident | 87 | Confident | 10 Ų | 10 | 40.7 Ų | 40.7 | 5% | 0.049 | 20% | 0.202 | C | C | . | . | trans | -82.5 | 134.3 | -178.4 | -66.6 | -155.5 | 71.6 | 0 | 0 | 112.3 | L680 T681 L744 C767 C768 Q774 K775 V778 | L680-M770 HydrophobicContact CB-SD 3.91Å; L680-M770 HydrophobicContact CD2-SD 3.9Å; L680-M770 HydrophobicContact CG-SD 4.36Å; T681-M770 WeakPolarHBondContact O-CB 3.37Å; T681-M770 PolarHBondContact O-N 3.05Å; L744-M770 HydrophobicContact CD2-CE 3.35Å; L744-M770 HydrophobicContact CD2-SD 4.33Å; C767-M770 HydrophobicContact CB-CE 4.49Å; C767-M770 HydrophobicContact CB-CG 3.82Å; C767-M770 HydrophobicContact CB-SD 3.21Å; C767-M770 WeakPolarHBondContact CB-SD 3.43Å; C768-M770 PolarHBondContact O-N 3.5Å; M770-Q774 HydrophobicContact CE-CB 3.51Å; M770-K775 HydrophobicContact CB-CG 4.06Å; M770-K775 HydrophobicContact CE-CG 4.22Å; M770-K775 HydrophobicContact SD-CG 4.18Å; M770-V778 HydrophobicContact CE-CG2 3.82Å | ||
| 771 | A | 75.1 | Confident | 87.2 | Confident | 45 Ų | 45 | 39 Ų | 39 | 37% | 0.372 | 20% | 0.195 | S | C | . | . | trans | -76.2 | 151.2 | 164 | 0 | 0 | 0 | 0 | 0 | 111 | L773 Q774 K775 | A771-L773 VanDerWaalsContact C-N 3.27Å; A771-L773 PolarHBondContact O-N 2.95Å; A771-L773 VanDerWaalsContact O-N 3.15Å; A771-Q774 HydrophobicContact CB-CG 4.15Å; A771-Q774 WeakPolarHBondContact O-CA 3.44Å; A771-Q774 WeakPolarHBondContact O-CB 3.36Å; A771-Q774 PolarHBondContact O-N 2.69Å; A771-K775 PolarHBondContact O-N 3.16Å | ||
| 772 | P | 73.2 | Confident | 87.4 | Confident | 52 Ų | 52 | 35.1 Ų | 35.1 | 34% | 0.338 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -52.5 | -39.3 | 180 | -30.9 | 36.8 | 0 | 0 | 0 | 114.6 | Q774 K775 A776 N799 S802 | P772-Q774 VanDerWaalsContact C-N 3.35Å; P772-K775 PolarHBondContact O-N 3.09Å; P772-A776 PolarHBondContact O-N 3.34Å; P772-N799 WeakPolarHBondContact CB-O 3.48Å; P772-N799 HydrophobicContact CG-CB 4.18Å; P772-S802 PolarHBondContact O-OG 2.89Å |
| 773 | L | 76.1 | Confident | 87.4 | Confident | 125 Ų | 125 | 37.9 Ų | 37.9 | 65% | 0.654 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -70.5 | -30.3 | 177.4 | -71.6 | 173.1 | 0 | 0 | 0 | 112.8 | A771 K777 | A771-L773 VanDerWaalsContact C-N 3.27Å; A771-L773 PolarHBondContact O-N 2.95Å; A771-L773 VanDerWaalsContact O-N 3.15Å; L773-K777 WeakPolarHBondContact O-CG 3.5Å; L773-K777 PolarHBondContact O-N 2.88Å; L773-K777 VanDerWaalsContact O-N 3.15Å |
| 774 | Q | 83.1 | Confident | 87.4 | Confident | 33 Ų | 33 | 39.8 Ų | 39.8 | 15% | 0.154 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.4 | -37.2 | 175.8 | -66.7 | 171.7 | -32.5 | 0 | 0 | 110.7 | G741 S745 M770 A771 P772 A776 K777 V778 | G741-Q774 PolarHBondContact O-NE2 3.19Å; G741-Q774 VanDerWaalsContact O-NE2 3.09Å; S745-Q774 PolarHBondContact OG-NE2 3.07Å; M770-Q774 HydrophobicContact CE-CB 3.51Å; A771-Q774 HydrophobicContact CB-CG 4.15Å; A771-Q774 WeakPolarHBondContact O-CA 3.44Å; A771-Q774 WeakPolarHBondContact O-CB 3.36Å; A771-Q774 PolarHBondContact O-N 2.69Å; P772-Q774 VanDerWaalsContact C-N 3.35Å; Q774-A776 VanDerWaalsContact C-N 3.32Å; Q774-A776 PolarHBondContact O-N 2.93Å; Q774-K777 WeakPolarHBondContact O-CB 3.3Å; Q774-K777 PolarHBondContact O-N 3.26Å; Q774-K777 VanDerWaalsContact O-N 3.1Å; Q774-V778 PolarHBondContact O-N 2.99Å |
| 775 | K | 88.5 | Confident | 87.3 | Confident | 7 Ų | 7 | 40.2 Ų | 40.2 | 3% | 0.03 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.5 | -48.9 | 176.4 | -60.9 | -168 | -174.3 | -171.8 | 0 | 110.5 | D407 L680 M770 A771 P772 K777 V778 V779 D800 M803 | D407-K775 IonicContact OD1-NZ 2.94Å; D407-K775 PolarHBondContact OD1-NZ 3.33Å; L680-K775 HydrophobicContact CB-CD 4.29Å; L680-K775 HydrophobicContact CB-CG 4.26Å; L680-K775 HydrophobicContact CD1-CB 4.34Å; L680-K775 VanDerWaalsContact O-CE 3.24Å; L680-K775 WeakPolarHBondContact O-CE 3.46Å; L680-K775 PolarHBondContact O-NZ 2.96Å; L680-K775 VanDerWaalsContact O-NZ 3.11Å; M770-K775 HydrophobicContact CB-CG 4.06Å; M770-K775 HydrophobicContact CE-CG 4.22Å; M770-K775 HydrophobicContact SD-CG 4.18Å; A771-K775 PolarHBondContact O-N 3.16Å; P772-K775 PolarHBondContact O-N 3.09Å; K775-K777 PolarHBondContact O-N 2.82Å; K775-V778 PolarHBondContact O-N 3.05Å; K775-V779 WeakPolarHBondContact O-CG2 3.35Å; K775-V779 PolarHBondContact O-N 3.25Å; K775-V779 VanDerWaalsContact O-N 3.15Å; K775-D800 IonicContact NZ-OD1 3.4Å; K775-D800 PolarHBondContact NZ-OD1 2.97Å; K775-M803 HydrophobicContact CB-CB 4.06Å; K775-M803 HydrophobicContact CB-CG 4.29Å; K775-M803 HydrophobicContact CB-SD 4.31Å; K775-M803 HydrophobicContact CD-SD 4.36Å |
| 776 | A | 88.2 | Confident | 86.8 | Confident | 13 Ų | 13 | 46 Ų | 46 | 11% | 0.107 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.3 | -39.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | P772 Q774 V778 V779 R780 E806 | P772-A776 PolarHBondContact O-N 3.34Å; Q774-A776 VanDerWaalsContact C-N 3.32Å; Q774-A776 PolarHBondContact O-N 2.93Å; A776-V778 VanDerWaalsContact C-N 3.34Å; A776-V778 PolarHBondContact O-N 2.95Å; A776-V779 PolarHBondContact O-N 3.18Å; A776-R780 WeakPolarHBondContact O-CB 3.38Å; A776-R780 PolarHBondContact O-N 3.02Å; A776-E806 HydrophobicContact CB-CB 4.23Å |
| 777 | K | 89.7 | Confident | 86.1 | Confident | 132 Ų | 132 | 51.9 Ų | 51.9 | 57% | 0.574 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61.8 | -39.5 | 176.1 | -74 | 178.7 | -179.9 | -175.9 | 0 | 112.5 | L748 L773 Q774 K775 R780 L781 | L748-K777 HydrophobicContact CD1-CB 4.17Å; L773-K777 WeakPolarHBondContact O-CG 3.5Å; L773-K777 PolarHBondContact O-N 2.88Å; L773-K777 VanDerWaalsContact O-N 3.15Å; Q774-K777 WeakPolarHBondContact O-CB 3.3Å; Q774-K777 PolarHBondContact O-N 3.26Å; Q774-K777 VanDerWaalsContact O-N 3.1Å; K775-K777 PolarHBondContact O-N 2.82Å; K777-R780 PolarHBondContact O-N 3.35Å; K777-L781 VanDerWaalsContact O-CB 3.32Å; K777-L781 WeakPolarHBondContact O-CB 3.36Å; K777-L781 PolarHBondContact O-N 3.11Å |
| 778 | V | 92.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 176 | 174.6 | 0 | 0 | 0 | 0 | 111.5 | F405 W678 L680 L744 M770 Q774 K775 A776 L781 L782 | F405-V778 HydrophobicContact CE1-CG1 4.16Å; W678-V778 HydrophobicContact CE3-CG1 3.94Å; W678-V778 HydrophobicContact CZ3-CG1 3.78Å; L680-V778 HydrophobicContact CD1-CB 4.36Å; L680-V778 HydrophobicContact CD1-CG1 4.28Å; L680-V778 HydrophobicContact CD2-CG1 4.2Å; L744-V778 HydrophobicContact CD1-CG2 4.12Å; L744-V778 HydrophobicContact CD2-CG2 3.65Å; L744-V778 HydrophobicContact CG-CG2 4.4Å; M770-V778 HydrophobicContact CE-CG2 3.82Å; Q774-V778 PolarHBondContact O-N 2.99Å; K775-V778 PolarHBondContact O-N 3.05Å; A776-V778 VanDerWaalsContact C-N 3.34Å; A776-V778 PolarHBondContact O-N 2.95Å; V778-L781 WeakPolarHBondContact O-CB 3.32Å; V778-L781 PolarHBondContact O-N 3.41Å; V778-L782 PolarHBondContact O-N 2.94Å |
| 779 | V | 92.8 | Very high | 86 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.2 | -46 | 174.2 | 177.9 | 0 | 0 | 0 | 0 | 111 | F405 K775 A776 L781 L782 K783 M803 E806 A807 | F405-V779 HydrophobicContact CB-CG2 4.44Å; F405-V779 HydrophobicContact CD1-CG2 4.35Å; F405-V779 HydrophobicContact CD2-CB 4.41Å; F405-V779 HydrophobicContact CD2-CG1 4.26Å; F405-V779 HydrophobicContact CD2-CG2 3.65Å; F405-V779 HydrophobicContact CE2-CB 4.12Å; F405-V779 HydrophobicContact CE2-CG1 3.95Å; F405-V779 HydrophobicContact CE2-CG2 3.8Å; F405-V779 HydrophobicContact CG-CG2 3.91Å; F405-V779 HydrophobicContact CZ-CB 4.49Å; F405-V779 HydrophobicContact CZ-CG2 4.21Å; K775-V779 WeakPolarHBondContact O-CG2 3.35Å; K775-V779 PolarHBondContact O-N 3.25Å; K775-V779 VanDerWaalsContact O-N 3.15Å; A776-V779 PolarHBondContact O-N 3.18Å; V779-L781 PolarHBondContact O-N 3.45Å; V779-L782 PolarHBondContact O-N 3.15Å; V779-K783 VanDerWaalsContact O-CB 3.32Å; V779-K783 WeakPolarHBondContact O-CB 3.48Å; V779-K783 PolarHBondContact O-N 3.22Å; V779-M803 HydrophobicContact CG2-CG 3.55Å; V779-E806 HydrophobicContact CB-CG 4.29Å; V779-E806 HydrophobicContact CG1-CB 4.35Å; V779-E806 HydrophobicContact CG1-CG 4.18Å; V779-A807 HydrophobicContact CG1-CB 3.9Å |
| 780 | R | 91.4 | Very high | 86.6 | Confident | 147 Ų | 147 | 53.3 Ų | 53.3 | 56% | 0.555 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -61.1 | -44.3 | 179.6 | -174.8 | 171.3 | 173.3 | 173.9 | -1.9 | 111.6 | A776 K777 L782 K783 T784 E806 | A776-R780 WeakPolarHBondContact O-CB 3.38Å; A776-R780 PolarHBondContact O-N 3.02Å; K777-R780 PolarHBondContact O-N 3.35Å; R780-L782 VanDerWaalsContact C-N 3.34Å; R780-L782 PolarHBondContact O-N 2.92Å; R780-K783 PolarHBondContact O-N 3.1Å; R780-T784 HydrophobicContact CG-CG2 4.18Å; R780-T784 PolarHBondContact O-N 3Å; R780-T784 PolarHBondContact O-OG1 3.43Å; R780-E806 HydrophobicContact CB-CG 3.91Å |
| 781 | L | 91.1 | Very high | 87.4 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -50.2 | -52.5 | 175.7 | 166.6 | 64.9 | 0 | 0 | 0 | 111.9 | L748 E752 F755 M756 K777 V778 V779 T784 S785 | L748-L781 HydrophobicContact CD2-CD2 3.56Å; E752-L781 VanDerWaalsContact CD-CD1 3.44Å; E752-L781 HydrophobicContact CG-CD1 3.13Å; E752-L781 HydrophobicContact CG-CG 4.47Å; E752-L781 WeakPolarHBondContact OE1-CD1 3.29Å; F755-L781 HydrophobicContact CD1-CD2 3.86Å; F755-L781 HydrophobicContact CE1-CD2 4Å; M756-L781 HydrophobicContact CG-CD1 3.52Å; M756-L781 HydrophobicContact CG-CD2 3.87Å; M756-L781 HydrophobicContact CG-CG 3.78Å; M756-L781 HydrophobicContact SD-CD1 3.88Å; M756-L781 HydrophobicContact SD-CD2 3.48Å; M756-L781 WeakPolarHBondContact SD-CD2 3.36Å; M756-L781 HydrophobicContact SD-CG 3.43Å; M756-L781 WeakPolarHBondContact SD-CG 3.2Å; K777-L781 VanDerWaalsContact O-CB 3.32Å; K777-L781 WeakPolarHBondContact O-CB 3.36Å; K777-L781 PolarHBondContact O-N 3.11Å; V778-L781 WeakPolarHBondContact O-CB 3.32Å; V778-L781 PolarHBondContact O-N 3.41Å; V779-L781 PolarHBondContact O-N 3.45Å; L781-T784 PolarHBondContact O-OG1 2.93Å; L781-S785 PolarHBondContact O-N 3.16Å |
| 782 | L | 91.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67 | -42.5 | 179.6 | -97.1 | 167.3 | 0 | 0 | 0 | 111.9 | Y403 F405 W678 M756 V778 V779 R780 T784 S785 P789 T791 | Y403-L782 HydrophobicContact CD1-CD1 3.83Å; Y403-L782 HydrophobicContact CD1-CD2 4.31Å; Y403-L782 HydrophobicContact CE1-CD1 4.1Å; Y403-L782 HydrophobicContact CE1-CD2 3.98Å; Y403-L782 HydrophobicContact CE2-CD2 4.31Å; Y403-L782 HydrophobicContact CG-CD1 4.36Å; F405-L782 HydrophobicContact CE1-CD1 3.66Å; F405-L782 HydrophobicContact CE2-CD1 4.47Å; F405-L782 HydrophobicContact CZ-CB 4.05Å; F405-L782 HydrophobicContact CZ-CD1 3.31Å; F405-L782 HydrophobicContact CZ-CG 4.28Å; W678-L782 HydrophobicContact CD2-CD1 4.13Å; W678-L782 HydrophobicContact CE3-CD1 3.98Å; W678-L782 HydrophobicContact CH2-CD1 3.44Å; W678-L782 VanDerWaalsContact CH2-CD1 3.44Å; W678-L782 HydrophobicContact CH2-CG 4.16Å; W678-L782 HydrophobicContact CZ2-CD1 3.63Å; W678-L782 HydrophobicContact CZ3-CD1 3.64Å; M756-L782 HydrophobicContact CE-CD2 3.41Å; M756-L782 VanDerWaalsContact CE-CD2 3.41Å; M756-L782 HydrophobicContact CE-CG 3.82Å; M756-L782 HydrophobicContact SD-CD2 4.42Å; M756-L782 HydrophobicContact SD-CG 4.27Å; V778-L782 PolarHBondContact O-N 2.94Å; V779-L782 PolarHBondContact O-N 3.15Å; R780-L782 VanDerWaalsContact C-N 3.34Å; R780-L782 PolarHBondContact O-N 2.92Å; L782-T784 PolarHBondContact O-N 3.37Å; L782-S785 WeakPolarHBondContact O-CB 3.45Å; L782-S785 PolarHBondContact O-N 3.27Å; L782-S785 PolarHBondContact O-OG 3.37Å; L782-P789 HydrophobicContact CD2-CG 4.34Å; L782-P789 WeakPolarHBondContact O-CD 3.15Å; L782-T791 HydrophobicContact CB-CG2 4.36Å |
| 783 | K | 90.6 | Very high | 89.5 | Confident | 60 Ų | 60 | 48.2 Ų | 48.2 | 26% | 0.261 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.6 | -37.1 | 178.4 | 171.1 | 170.6 | -179.3 | -162.6 | 0 | 113.5 | V779 R780 S785 E806 H808 | V779-K783 VanDerWaalsContact O-CB 3.32Å; V779-K783 WeakPolarHBondContact O-CB 3.48Å; V779-K783 PolarHBondContact O-N 3.22Å; R780-K783 PolarHBondContact O-N 3.1Å; K783-S785 VanDerWaalsContact C-N 3.33Å; K783-E806 PolarHBondContact NZ-O 2.69Å; K783-E806 IonicContact NZ-OE1 3.24Å; K783-E806 PolarHBondContact NZ-OE1 2.94Å; K783-H808 VanDerWaalsContact CG-CE1 3.45Å; K783-H808 WeakPolarHBondContact CG-CE1 3.07Å |
| 784 | T | 88.3 | Confident | 90.5 | Very high | 84 Ų | 84 | 42.3 Ų | 42.3 | 52% | 0.515 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -0.7 | 178.2 | 54.5 | 0 | 0 | 0 | 0 | 113.6 | R780 L781 L782 | R780-T784 HydrophobicContact CG-CG2 4.18Å; R780-T784 PolarHBondContact O-N 3Å; R780-T784 PolarHBondContact O-OG1 3.43Å; L781-T784 PolarHBondContact O-OG1 2.93Å; L782-T784 PolarHBondContact O-N 3.37Å |
| 785 | S | 88.1 | Confident | 90.8 | Very high | 9 Ų | 9 | 40.7 Ų | 40.7 | 6% | 0.063 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -62.4 | 158.7 | 178.1 | 76.3 | 0 | 0 | 0 | 0 | 112 | L781 L782 K783 E787 K788 P789 | L781-S785 PolarHBondContact O-N 3.16Å; L782-S785 WeakPolarHBondContact O-CB 3.45Å; L782-S785 PolarHBondContact O-N 3.27Å; L782-S785 PolarHBondContact O-OG 3.37Å; K783-S785 VanDerWaalsContact C-N 3.33Å; S785-E787 PolarHBondContact O-N 2.81Å; S785-E787 VanDerWaalsContact O-N 3.17Å; S785-K788 VanDerWaalsContact O-CG 3.23Å; S785-K788 WeakPolarHBondContact O-CG 3.41Å; S785-K788 PolarHBondContact O-N 2.76Å; S785-P789 WeakPolarHBondContact OG-CD 3.31Å |
| 786 | P | 84.4 | Confident | 90.7 | Very high | 122 Ų | 122 | 40.5 Ų | 40.5 | 79% | 0.792 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -31.6 | -177.8 | -26.4 | 34.7 | 0 | 0 | 0 | 114.6 | K788 | P786-K788 VanDerWaalsContact C-N 3.32Š|
| 787 | E | 81.4 | Confident | 90.1 | Very high | 124 Ų | 124 | 40 Ų | 40 | 58% | 0.579 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -23.2 | 178.3 | -76.2 | 162.6 | -151.4 | 0 | 0 | 112.8 | K760 S785 | K760-E787 IonicContact NZ-OE1 3.27Å; K760-E787 PolarHBondContact NZ-OE1 3.02Å; K760-E787 IonicContact NZ-OE2 2.76Å; K760-E787 PolarHBondContact NZ-OE2 3.4Å; S785-E787 PolarHBondContact O-N 2.81Å; S785-E787 VanDerWaalsContact O-N 3.17Å |
| 788 | K | 88.3 | Confident | 89.1 | Confident | 130 Ų | 130 | 34.9 Ų | 34.9 | 57% | 0.565 | 18% | 0.177 | S | C | * | . | trans | 48.5 | 52 | -177.8 | -58.8 | 177.5 | -178.3 | 170.8 | 0 | 113.2 | S785 P786 | S785-K788 VanDerWaalsContact O-CG 3.23Å; S785-K788 WeakPolarHBondContact O-CG 3.41Å; S785-K788 PolarHBondContact O-N 2.76Å; P786-K788 VanDerWaalsContact C-N 3.32Å | ||
| 789 | P | 91.8 | Very high | 88.2 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | trans | -65.2 | 149.7 | 179.5 | 30.5 | -36.1 | 0 | 0 | 0 | 111.2 | E402 Y403 L782 S785 H808 | E402-P789 HydrophobicContact CB-CB 4.22Å; Y403-P789 HydrophobicContact CD2-CB 3.68Å; Y403-P789 HydrophobicContact CD2-CG 3.93Å; Y403-P789 HydrophobicContact CE2-CB 3.73Å; Y403-P789 HydrophobicContact CE2-CG 3.85Å; L782-P789 HydrophobicContact CD2-CG 4.34Å; L782-P789 WeakPolarHBondContact O-CD 3.15Å; S785-P789 WeakPolarHBondContact OG-CD 3.31Å; P789-H808 PolarHBondContact O-CE1 3.38Å | ||
| 790 | I | 94.1 | Very high | 87.7 | Confident | 19 Ų | 19 | 38 Ų | 38 | 10% | 0.097 | 19% | 0.193 | C | C | . | . | trans | -77.7 | 127.6 | 175.1 | -55.1 | -48.3 | 0 | 0 | 0 | 109.3 | A281 E397 Q400 V401 E402 Y403 H808 | A281-I790 HydrophobicContact CB-CD1 4.33Å; E397-I790 HydrophobicContact CG-CG2 3.88Å; E397-I790 WeakPolarHBondContact OE1-CD1 3.27Å; E397-I790 WeakPolarHBondContact OE1-CG1 3.49Å; E397-I790 WeakPolarHBondContact OE1-CG2 3.41Å; Q400-I790 HydrophobicContact CB-CG1 4.07Å; Q400-I790 WeakPolarHBondContact O-CB 3.08Å; V401-I790 HydrophobicContact CG2-CG2 4.48Å; E402-I790 PolarHBondContact N-O 2.91Å; Y403-I790 PolarHBondContact N-O 2.73Å; I790-H808 HydrophobicContact CG2-CB 4.05Å | ||
| 791 | T | 95.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 130.6 | -172.4 | 55.1 | 0 | 0 | 0 | 0 | 110.7 | F405 L782 H808 V809 | F405-T791 HydrophobicContact CE2-CG2 3.66Å; F405-T791 HydrophobicContact CZ-CG2 4.34Å; L782-T791 HydrophobicContact CB-CG2 4.36Å; T791-H808 PolarHBondContact N-ND1 2.9Å; T791-H808 WeakPolarHBondContact O-CB 3.34Å; T791-H808 PolarHBondContact O-N 3.24Å; T791-H808 PolarHBondContact OG1-N 3.49Å; T791-H808 PolarHBondContact OG1-ND1 3.37Å; T791-V809 PolarHBondContact O-N 3.46Å; T791-V809 VanDerWaalsContact O-N 3.1Å |
| 792 | L | 96.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 137.4 | 172.5 | -169.7 | 151 | 0 | 0 | 0 | 109.5 | L398 V401 Y403 L404 F405 V794 V809 I811 L835 L839 | L398-L792 HydrophobicContact CD2-CD1 4.3Å; V401-L792 HydrophobicContact CB-CB 4.4Å; V401-L792 HydrophobicContact CG1-CB 3.51Å; V401-L792 HydrophobicContact CG1-CD1 4.32Å; V401-L792 HydrophobicContact CG2-CB 3.94Å; V401-L792 HydrophobicContact CG2-CD1 3.71Å; V401-L792 HydrophobicContact CG2-CG 4.48Å; Y403-L792 PolarHBondContact O-N 3.28Å; L404-L792 CarbonylContact C-O 3.57Å; L404-L792 WeakPolarHBondContact CA-O 3.4Å; L404-L792 HydrophobicContact CD1-CD2 3.39Å; F405-L792 PolarHBondContact N-O 3.05Å; L792-V794 HydrophobicContact CD2-CG2 3.39Å; L792-V809 CarbonylContact C-O 3.56Å; L792-V809 VanDerWaalsContact CA-O 3.28Å; L792-V809 WeakPolarHBondContact CA-O 3.37Å; L792-V809 HydrophobicContact CB-CB 4.45Å; L792-V809 HydrophobicContact CD1-CB 4.14Å; L792-V809 HydrophobicContact CD1-CG1 3.94Å; L792-V809 HydrophobicContact CG-CB 4.09Å; L792-V809 HydrophobicContact CG-CG1 4.17Å; L792-I811 HydrophobicContact CD1-CD1 3.75Å; L792-I811 HydrophobicContact CD1-CG1 4.29Å; L792-I811 HydrophobicContact CD2-CD1 3.91Å; L792-I811 HydrophobicContact CD2-CG1 4.09Å; L792-I811 HydrophobicContact CG-CD1 4.25Å; L792-I811 HydrophobicContact CG-CG1 4.38Å; L792-L835 HydrophobicContact CD2-CD1 4.49Å; L792-L839 HydrophobicContact CD1-CD1 4.4Å; L792-L839 HydrophobicContact CD1-CD2 3.7Å |
| 793 | A | 96.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 133.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | F405 M803 I804 A807 V809 I811 | F405-A793 HydrophobicContact CB-CB 4.38Å; F405-A793 CarbonylContact O-C 3.56Å; F405-A793 VanDerWaalsContact O-CA 3.29Å; F405-A793 WeakPolarHBondContact O-CA 3.26Å; A793-M803 HydrophobicContact CB-CE 4.14Å; A793-M803 HydrophobicContact CB-CG 3.83Å; A793-M803 HydrophobicContact CB-SD 4.38Å; A793-I804 HydrophobicContact CB-CG1 4.45Å; A793-A807 HydrophobicContact CB-CB 3.52Å; A793-V809 PolarHBondContact N-O 3.36Å; A793-I811 PolarHBondContact O-N 2.79Å |
| 794 | V | 95.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 133.2 | 175.6 | -171.6 | 0 | 0 | 0 | 0 | 109.4 | L404 F405 D407 T411 L792 M803 I811 I813 L835 | L404-V794 HydrophobicContact CD1-CG2 3.57Å; F405-V794 PolarHBondContact O-N 2.93Å; D407-V794 PolarHBondContact N-O 3.36Å; D407-V794 VanDerWaalsContact N-O 3.13Å; T411-V794 HydrophobicContact CG2-CB 4.34Å; T411-V794 HydrophobicContact CG2-CG1 3.78Å; L792-V794 HydrophobicContact CD2-CG2 3.39Å; V794-M803 VanDerWaalsContact O-CE 3.3Å; V794-M803 WeakPolarHBondContact O-CE 3.38Å; V794-I811 WeakPolarHBondContact CA-O 3.44Å; V794-I811 HydrophobicContact CG1-CG2 4.42Å; V794-I811 HydrophobicContact CG2-CB 4.13Å; V794-I813 HydrophobicContact CG1-CD1 3.73Å; V794-I813 HydrophobicContact CG1-CG1 3.77Å; V794-L835 HydrophobicContact CG2-CD1 4.44Å; V794-L835 HydrophobicContact CG2-CD2 4.02Å |
| 795 | G | 91.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 165.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | T411 D800 I811 G812 I813 | T411-G795 WeakPolarHBondContact OG1-CA 3.35Å; G795-D800 WeakPolarHBondContact CA-OD2 3.36Å; G795-I811 PolarHBondContact N-O 3.2Å; G795-G812 CarbonylContact O-C 3.57Å; G795-G812 VanDerWaalsContact O-CA 3.29Å; G795-G812 WeakPolarHBondContact O-CA 3.38Å; G795-I813 PolarHBondContact O-N 3.16Å |
| 796 | D | 85.3 | Confident | 86.7 | Confident | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -116.8 | -32.8 | -179.5 | 73.8 | -45.5 | 0 | 0 | 0 | 112.1 | T409 G410 T411 I813 A821 | T409-D796 VanDerWaalsContact O-OD1 3.08Å; G410-D796 VanDerWaalsContact C-CG 3.48Å; G410-D796 WeakPolarHBondContact CA-OD2 3.41Å; T411-D796 PolarHBondContact OG1-N 2.94Å; D796-I813 HydrophobicContact CB-CB 3.93Å; D796-I813 HydrophobicContact CB-CG2 4.33Å; D796-A821 WeakPolarHBondContact O-CB 3.45Å |
| 797 | G | 75 | Confident | 87.1 | Confident | 3 Ų | 3 | 24.7 Ų | 24.7 | 3% | 0.031 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -93.2 | 172.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | N799 D800 | G797-N799 VanDerWaalsContact C-N 3.27Å; G797-N799 PolarHBondContact O-N 2.99Å; G797-D800 PolarHBondContact O-N 2.8Å |
| 798 | A | 68.9 | Low | 87.7 | Confident | 24 Ų | 24 | 20.6 Ų | 20.6 | 20% | 0.198 | 11% | 0.106 | C | C | . | . | G | 310 helix | trans | -72.3 | -24.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L177 D178 D800 V801 Q820 | L177-A798 WeakPolarHBondContact O-CB 3.44Å; D178-A798 PolarHBondContact O-N 3.45Å; A798-D800 PolarHBondContact O-N 2.88Å; A798-D800 VanDerWaalsContact O-N 3.11Å; A798-V801 WeakPolarHBondContact O-CB 3.35Å; A798-V801 PolarHBondContact O-N 3.26Å; A798-V801 VanDerWaalsContact O-N 3.11Å; A798-Q820 HydrophobicContact CB-CB 4.16Å |
| 799 | N | 73.8 | Confident | 88 | Confident | 62 Ų | 62 | 14.4 Ų | 14.4 | 33% | 0.332 | 8% | 0.079 | S | C | . | . | G | 310 helix | trans | -58.9 | -20.5 | 173.8 | -68.3 | -33.8 | 0 | 0 | 0 | 112.9 | P772 G797 | P772-N799 WeakPolarHBondContact CB-O 3.48Å; P772-N799 HydrophobicContact CG-CB 4.18Å; G797-N799 VanDerWaalsContact C-N 3.27Å; G797-N799 PolarHBondContact O-N 2.99Å |
| 800 | D | 82.1 | Confident | 88.2 | Confident | 2 Ų | 2 | 14.4 Ų | 14.4 | 1% | 0.011 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -99.3 | -9 | -178.4 | -57.4 | -38.6 | 0 | 0 | 0 | 113.1 | D407 K775 G795 G797 A798 S802 M803 I804 | D407-D800 WeakPolarHBondContact CB-OD2 3.1Å; K775-D800 IonicContact NZ-OD1 3.4Å; K775-D800 PolarHBondContact NZ-OD1 2.97Å; G795-D800 WeakPolarHBondContact CA-OD2 3.36Å; G797-D800 PolarHBondContact O-N 2.8Å; A798-D800 PolarHBondContact O-N 2.88Å; A798-D800 VanDerWaalsContact O-N 3.11Å; D800-S802 VanDerWaalsContact C-N 3.25Å; D800-S802 PolarHBondContact O-N 3.42Å; D800-M803 HydrophobicContact CB-CE 4.05Å; D800-M803 WeakPolarHBondContact O-CA 3.36Å; D800-M803 WeakPolarHBondContact O-CB 3.45Å; D800-M803 PolarHBondContact O-N 3Å; D800-I804 HydrophobicContact CB-CD1 4.11Å; D800-I804 HydrophobicContact CB-CG1 4.46Å; D800-I804 WeakPolarHBondContact O-CB 3.2Å; D800-I804 VanDerWaalsContact O-CG1 3.28Å; D800-I804 WeakPolarHBondContact O-CG1 3.39Å; D800-I804 PolarHBondContact O-N 2.89Å |
| 801 | V | 80.2 | Confident | 88.2 | Confident | 17 Ų | 17 | 13.5 Ų | 13.5 | 10% | 0.103 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -57.9 | -40.6 | -177.7 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | A798 M803 I804 Q805 Q820 N824 | A798-V801 WeakPolarHBondContact O-CB 3.35Å; A798-V801 PolarHBondContact O-N 3.26Å; A798-V801 VanDerWaalsContact O-N 3.11Å; V801-M803 VanDerWaalsContact C-N 3.33Å; V801-M803 PolarHBondContact O-N 3.07Å; V801-I804 PolarHBondContact O-N 3.15Å; V801-Q805 HydrophobicContact CG1-CG 4.22Å; V801-Q805 VanDerWaalsContact O-CB 3.31Å; V801-Q805 WeakPolarHBondContact O-CB 3.37Å; V801-Q805 VanDerWaalsContact O-CG 3.24Å; V801-Q805 WeakPolarHBondContact O-CG 3.09Å; V801-Q805 PolarHBondContact O-N 2.99Å; V801-Q820 HydrophobicContact CG2-CB 4.49Å; V801-N824 HydrophobicContact CG1-CB 3.73Å; V801-N824 HydrophobicContact CG2-CB 4.2Å |
| 802 | S | 83.1 | Confident | 88.1 | Confident | 31 Ų | 31 | 13.5 Ų | 13.5 | 22% | 0.217 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.6 | -40.7 | 176.2 | 56.3 | 0 | 0 | 0 | 0 | 112.2 | P772 D800 E806 | P772-S802 PolarHBondContact O-OG 2.89Å; D800-S802 VanDerWaalsContact C-N 3.25Å; D800-S802 PolarHBondContact O-N 3.42Å; S802-E806 WeakPolarHBondContact O-CB 3.29Å; S802-E806 PolarHBondContact O-N 3.4Å |
| 803 | M | 89 | Confident | 87.9 | Confident | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -68.6 | -47.3 | 178 | -174.9 | -174 | 61.6 | 0 | 0 | 111.2 | F405 L680 K775 V779 A793 V794 D800 V801 Q805 E806 A807 | F405-M803 HydrophobicContact CB-SD 3.99Å; L680-M803 HydrophobicContact CB-SD 4.36Å; L680-M803 HydrophobicContact CD1-SD 3.77Å; L680-M803 HydrophobicContact CG-SD 4.48Å; K775-M803 HydrophobicContact CB-CB 4.06Å; K775-M803 HydrophobicContact CB-CG 4.29Å; K775-M803 HydrophobicContact CB-SD 4.31Å; K775-M803 HydrophobicContact CD-SD 4.36Å; V779-M803 HydrophobicContact CG2-CG 3.55Å; A793-M803 HydrophobicContact CB-CE 4.14Å; A793-M803 HydrophobicContact CB-CG 3.83Å; A793-M803 HydrophobicContact CB-SD 4.38Å; V794-M803 VanDerWaalsContact O-CE 3.3Å; V794-M803 WeakPolarHBondContact O-CE 3.38Å; D800-M803 HydrophobicContact CB-CE 4.05Å; D800-M803 WeakPolarHBondContact O-CA 3.36Å; D800-M803 WeakPolarHBondContact O-CB 3.45Å; D800-M803 PolarHBondContact O-N 3Å; V801-M803 VanDerWaalsContact C-N 3.33Å; V801-M803 PolarHBondContact O-N 3.07Å; M803-Q805 PolarHBondContact O-N 3.4Å; M803-E806 PolarHBondContact O-N 3.11Å; M803-A807 PolarHBondContact O-N 3.06Å; M803-A807 VanDerWaalsContact O-N 3.08Å |
| 804 | I | 89.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.8 | -42.2 | 178.4 | -70.2 | 171.9 | 0 | 0 | 0 | 111.3 | K278 A793 D800 V801 A821 | K278-I804 PolarHBondContact NZ-O 2.78Å; A793-I804 HydrophobicContact CB-CG1 4.45Å; D800-I804 HydrophobicContact CB-CD1 4.11Å; D800-I804 HydrophobicContact CB-CG1 4.46Å; D800-I804 WeakPolarHBondContact O-CB 3.2Å; D800-I804 VanDerWaalsContact O-CG1 3.28Å; D800-I804 WeakPolarHBondContact O-CG1 3.39Å; D800-I804 PolarHBondContact O-N 2.89Å; V801-I804 PolarHBondContact O-N 3.15Å; I804-A821 HydrophobicContact CD1-CB 3.83Å |
| 805 | Q | 87.1 | Confident | 86 | Confident | 48 Ų | 48 | 15.9 Ų | 15.9 | 22% | 0.224 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -71.6 | -34 | 178.9 | -73.6 | -178.3 | -7.7 | 0 | 0 | 112.6 | K278 V801 M803 | K278-Q805 WeakPolarHBondContact CE-O 3.46Å; V801-Q805 HydrophobicContact CG1-CG 4.22Å; V801-Q805 VanDerWaalsContact O-CB 3.31Å; V801-Q805 WeakPolarHBondContact O-CB 3.37Å; V801-Q805 VanDerWaalsContact O-CG 3.24Å; V801-Q805 WeakPolarHBondContact O-CG 3.09Å; V801-Q805 PolarHBondContact O-N 2.99Å; M803-Q805 PolarHBondContact O-N 3.4Å |
| 806 | E | 90.1 | Very high | 84.5 | Confident | 55 Ų | 55 | 23.5 Ų | 23.5 | 26% | 0.257 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -76.1 | -33.4 | -179.7 | -172.7 | 58.3 | -126.2 | 0 | 0 | 112.8 | A776 V779 R780 K783 S802 M803 | A776-E806 HydrophobicContact CB-CB 4.23Å; V779-E806 HydrophobicContact CB-CG 4.29Å; V779-E806 HydrophobicContact CG1-CB 4.35Å; V779-E806 HydrophobicContact CG1-CG 4.18Å; R780-E806 HydrophobicContact CB-CG 3.91Å; K783-E806 PolarHBondContact NZ-O 2.69Å; K783-E806 IonicContact NZ-OE1 3.24Å; K783-E806 PolarHBondContact NZ-OE1 2.94Å; S802-E806 WeakPolarHBondContact O-CB 3.29Å; S802-E806 PolarHBondContact O-N 3.4Å; M803-E806 PolarHBondContact O-N 3.11Å |
| 807 | A | 93.3 | Very high | 83 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -62.9 | 157.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | K278 V779 A793 M803 V809 | K278-A807 VanDerWaalsContact CE-O 3.26Å; K278-A807 WeakPolarHBondContact CE-O 3.27Å; K278-A807 PolarHBondContact NZ-O 2.91Å; V779-A807 HydrophobicContact CG1-CB 3.9Å; A793-A807 HydrophobicContact CB-CB 3.52Å; M803-A807 PolarHBondContact O-N 3.06Å; M803-A807 VanDerWaalsContact O-N 3.08Å; A807-V809 VanDerWaalsContact C-N 3.3Å; A807-V809 WeakPolarHBondContact CB-O 3.46Å |
| 808 | H | 94.3 | Very high | 82.3 | Confident | 38 Ų | 38 | 25 Ų | 25 | 18% | 0.176 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -64.4 | -39 | 174 | -65 | 96.3 | 0 | 0 | 0 | 111.4 | K278 K783 P789 I790 T791 | K278-H808 WeakPolarHBondContact CD-O 3.49Å; K783-H808 VanDerWaalsContact CG-CE1 3.45Å; K783-H808 WeakPolarHBondContact CG-CE1 3.07Å; P789-H808 PolarHBondContact O-CE1 3.38Å; I790-H808 HydrophobicContact CG2-CB 4.05Å; T791-H808 PolarHBondContact N-ND1 2.9Å; T791-H808 WeakPolarHBondContact O-CB 3.34Å; T791-H808 PolarHBondContact O-N 3.24Å; T791-H808 PolarHBondContact OG1-N 3.49Å; T791-H808 PolarHBondContact OG1-ND1 3.37Å |
| 809 | V | 95.3 | Very high | 82.3 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 128 | 172.6 | -178.6 | 0 | 0 | 0 | 0 | 109.3 | E397 L398 T791 L792 A793 A807 I811 Y827 | E397-V809 HydrophobicContact CB-CG2 3.77Å; E397-V809 HydrophobicContact CG-CG2 3.68Å; L398-V809 HydrophobicContact CD2-CG1 3.88Å; T791-V809 PolarHBondContact O-N 3.46Å; T791-V809 VanDerWaalsContact O-N 3.1Å; L792-V809 CarbonylContact C-O 3.56Å; L792-V809 VanDerWaalsContact CA-O 3.28Å; L792-V809 WeakPolarHBondContact CA-O 3.37Å; L792-V809 HydrophobicContact CB-CB 4.45Å; L792-V809 HydrophobicContact CD1-CB 4.14Å; L792-V809 HydrophobicContact CD1-CG1 3.94Å; L792-V809 HydrophobicContact CG-CB 4.09Å; L792-V809 HydrophobicContact CG-CG1 4.17Å; A793-V809 PolarHBondContact N-O 3.36Å; A807-V809 VanDerWaalsContact C-N 3.3Å; A807-V809 WeakPolarHBondContact CB-O 3.46Å; V809-I811 HydrophobicContact CG1-CG1 4.33Å; V809-Y827 HydrophobicContact CG1-CD2 3.81Å; V809-Y827 HydrophobicContact CG1-CE2 3.74Å |
| 810 | G | 94.8 | Very high | 82.1 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 127.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S825 D826 Y827 | G810-S825 WeakPolarHBondContact O-CB 3.4Å; G810-D826 PolarHBondContact N-OD2 3.34Å; G810-D826 WeakPolarHBondContact O-CA 3.41Å; G810-D826 WeakPolarHBondContact O-CB 3.44Å; G810-D826 PolarHBondContact O-N 3.45Å; G810-Y827 PolarHBondContact O-N 3.49Å; G810-Y827 VanDerWaalsContact O-N 3.13Å |
| 811 | I | 95.5 | Very high | 81.8 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 128.5 | 175.1 | -59.4 | -173.1 | 0 | 0 | 0 | 109 | L792 A793 V794 G795 V809 Y827 I829 L835 L838 | L792-I811 HydrophobicContact CD1-CD1 3.75Å; L792-I811 HydrophobicContact CD1-CG1 4.29Å; L792-I811 HydrophobicContact CD2-CD1 3.91Å; L792-I811 HydrophobicContact CD2-CG1 4.09Å; L792-I811 HydrophobicContact CG-CD1 4.25Å; L792-I811 HydrophobicContact CG-CG1 4.38Å; A793-I811 PolarHBondContact O-N 2.79Å; V794-I811 WeakPolarHBondContact CA-O 3.44Å; V794-I811 HydrophobicContact CG1-CG2 4.42Å; V794-I811 HydrophobicContact CG2-CB 4.13Å; G795-I811 PolarHBondContact N-O 3.2Å; V809-I811 HydrophobicContact CG1-CG1 4.33Å; I811-Y827 CarbonylContact C-O 3.51Å; I811-Y827 WeakPolarHBondContact CA-O 3.37Å; I811-Y827 HydrophobicContact CG1-CD2 4.41Å; I811-I829 HydrophobicContact CG2-CD1 3.81Å; I811-I829 HydrophobicContact CG2-CG1 3.79Å; I811-L835 HydrophobicContact CD1-CD1 3.43Å; I811-L835 VanDerWaalsContact CD1-CD1 3.43Å; I811-L838 HydrophobicContact CD1-CD2 3.76Å |
| 812 | G | 92.9 | Very high | 81.9 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 129.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | G795 S825 Y827 A828 I829 | G795-G812 CarbonylContact O-C 3.57Å; G795-G812 VanDerWaalsContact O-CA 3.29Å; G795-G812 WeakPolarHBondContact O-CA 3.38Å; G812-S825 PolarHBondContact N-OG 2.76Å; G812-Y827 PolarHBondContact N-O 2.68Å; G812-A828 WeakPolarHBondContact O-CA 3.29Å; G812-I829 PolarHBondContact O-N 3.25Å |
| 813 | I | 91.2 | Very high | 81.5 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 132.1 | 169.9 | -67.3 | -174.2 | 0 | 0 | 0 | 109.3 | T411 V794 G795 D796 G815 V822 I829 F832 | T411-I813 HydrophobicContact CG2-CD1 3.71Å; V794-I813 HydrophobicContact CG1-CD1 3.73Å; V794-I813 HydrophobicContact CG1-CG1 3.77Å; G795-I813 PolarHBondContact O-N 3.16Å; D796-I813 HydrophobicContact CB-CB 3.93Å; D796-I813 HydrophobicContact CB-CG2 4.33Å; I813-G815 PolarHBondContact O-N 3.18Å; I813-V822 WeakPolarHBondContact O-CG2 3.29Å; I813-I829 CarbonylContact C-O 2.98Å; I813-I829 VanDerWaalsContact CA-O 3.29Å; I813-I829 WeakPolarHBondContact CA-O 3.45Å; I813-I829 HydrophobicContact CG1-CG1 4.26Å; I813-F832 HydrophobicContact CD1-CB 4.14Å; I813-F832 HydrophobicContact CD1-CD2 4.24Å |
| 814 | M | 83.9 | Confident | 81 | Confident | 21 Ų | 21 | 33.7 Ų | 33.7 | 10% | 0.103 | 16% | 0.155 | C | C | . | . | trans | -78.1 | 71.9 | 175.6 | -53 | -176.8 | -175.6 | 0 | 0 | 109.7 | Q385 K386 Q388 V822 A828 I829 | Q385-M814 HydrophobicContact CB-SD 3.97Å; Q385-M814 HydrophobicContact CG-SD 4.09Å; Q385-M814 PolarHBondContact OE1-O 3.18Å; K386-M814 WeakPolarHBondContact O-CE 3.34Å; Q388-M814 HydrophobicContact CB-CE 3.88Å; M814-V822 HydrophobicContact CB-CG2 4.21Å; M814-V822 HydrophobicContact CG-CG1 4.32Å; M814-V822 HydrophobicContact CG-CG2 3.72Å; M814-A828 HydrophobicContact CE-CB 3.45Å; M814-A828 VanDerWaalsContact CE-CB 3.45Å; M814-A828 HydrophobicContact CG-CB 4.3Å; M814-I829 PolarHBondContact N-O 2.93Å | ||
| 815 | G | 69 | Low | 80.9 | Confident | 28 Ų | 28 | 33.7 Ų | 33.7 | 29% | 0.289 | 16% | 0.155 | S | C | . | . | trans | -82.1 | -177.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | I813 E817 | I813-G815 PolarHBondContact O-N 3.18Å; G815-E817 VanDerWaalsContact C-N 3.3Å | ||
| 816 | K | 59.5 | Low | 81.1 | Confident | 161 Ų | 161 | 31.7 Ų | 31.7 | 70% | 0.7 | 15% | 0.146 | S | C | * | . | S | Bend | trans | -76.6 | -20.3 | 170.4 | -64.8 | 177.7 | -177.7 | 169.6 | 0 | 111.8 | G818 | K816-G818 PolarHBondContact O-N 3.46Š|
| 817 | E | 54.5 | Low | 81.3 | Confident | 26 Ų | 26 | 29.2 Ų | 29.2 | 12% | 0.121 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -76.4 | 37.4 | -178.8 | -64.3 | -157.5 | -179.4 | 0 | 0 | 113.7 | A175 G179 T181 N415 G815 | A175-E817 CarbonylContact O-C 3.55Å; G179-E817 WeakPolarHBondContact CA-O 3.48Å; G179-E817 WeakPolarHBondContact O-CA 3.36Å; G179-E817 WeakPolarHBondContact O-CB 3.44Å; G179-E817 WeakPolarHBondContact O-CG 3.44Å; T181-E817 HydrophobicContact CG2-CG 4.27Å; N415-E817 PolarHBondContact ND2-OE1 3.36Å; G815-E817 VanDerWaalsContact C-N 3.3Å |
| 818 | G | 60.7 | Low | 81.2 | Confident | 12 Ų | 12 | 29.2 Ų | 29.2 | 12% | 0.124 | 13% | 0.134 | C | C | . | . | trans | 75.4 | -171.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | A175 K816 | A175-G818 VanDerWaalsContact O-CA 3.32Å; A175-G818 WeakPolarHBondContact O-CA 3.45Å; K816-G818 PolarHBondContact O-N 3.46Å | ||
| 819 | R | 68.6 | Low | 81.3 | Confident | 164 Ų | 164 | 27.5 Ų | 27.5 | 62% | 0.619 | 13% | 0.126 | S | C | * | . | S | Bend | trans | -118.4 | 15.8 | -170.7 | -68.2 | -173.2 | 174.2 | -176.7 | -1.7 | 114.1 | V822 R823 | R819-V822 HydrophobicContact CB-CB 4.5Å; R819-V822 PolarHBondContact O-N 3.1Å; R819-R823 WeakPolarHBondContact O-CB 3.46Å; R819-R823 VanDerWaalsContact O-CG 3.28Å; R819-R823 WeakPolarHBondContact O-CG 3.35Å; R819-R823 PolarHBondContact O-N 3.26Å |
| 820 | Q | 69.6 | Low | 81.1 | Confident | 23 Ų | 23 | 27.6 Ų | 27.6 | 11% | 0.107 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -71.7 | -43.7 | -173.9 | -68.5 | -63 | -12.9 | 0 | 0 | 113.1 | S176 A798 V801 V822 R823 N824 | S176-Q820 VanDerWaalsContact O-CD 3.28Å; S176-Q820 WeakPolarHBondContact O-CG 3.1Å; S176-Q820 PolarHBondContact O-NE2 2.79Å; A798-Q820 HydrophobicContact CB-CB 4.16Å; V801-Q820 HydrophobicContact CG2-CB 4.49Å; Q820-V822 VanDerWaalsContact C-N 3.31Å; Q820-V822 PolarHBondContact O-N 3.43Å; Q820-R823 PolarHBondContact O-N 3.06Å; Q820-N824 WeakPolarHBondContact O-CB 3.48Å; Q820-N824 PolarHBondContact O-N 3.19Å; Q820-N824 PolarHBondContact O-ND2 2.94Å |
| 821 | A | 75.9 | Confident | 81 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.1 | -46.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | D796 I804 R823 N824 S825 | D796-A821 WeakPolarHBondContact O-CB 3.45Å; I804-A821 HydrophobicContact CD1-CB 3.83Å; A821-R823 VanDerWaalsContact C-N 3.35Å; A821-R823 PolarHBondContact O-N 3.35Å; A821-N824 CarbonylContact O-C 3.56Å; A821-N824 PolarHBondContact O-N 2.99Å; A821-N824 VanDerWaalsContact O-N 3.12Å; A821-S825 WeakPolarHBondContact O-CB 3.22Å; A821-S825 PolarHBondContact O-N 2.7Å; A821-S825 PolarHBondContact O-OG 2.99Å |
| 822 | V | 81.2 | Confident | 80.9 | Confident | 8 Ų | 8 | 29.5 Ų | 29.5 | 5% | 0.048 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.4 | -40.9 | 177.7 | 170.2 | 0 | 0 | 0 | 0 | 113.1 | N390 I813 M814 R819 Q820 S825 A828 | N390-V822 PolarHBondContact ND2-O 2.89Å; I813-V822 WeakPolarHBondContact O-CG2 3.29Å; M814-V822 HydrophobicContact CB-CG2 4.21Å; M814-V822 HydrophobicContact CG-CG1 4.32Å; M814-V822 HydrophobicContact CG-CG2 3.72Å; R819-V822 HydrophobicContact CB-CB 4.5Å; R819-V822 PolarHBondContact O-N 3.1Å; Q820-V822 VanDerWaalsContact C-N 3.31Å; Q820-V822 PolarHBondContact O-N 3.43Å; V822-S825 PolarHBondContact O-OG 3.3Å; V822-S825 VanDerWaalsContact O-OG 3.1Å; V822-A828 HydrophobicContact CB-CB 4.26Å; V822-A828 HydrophobicContact CG1-CB 3.63Å; V822-A828 HydrophobicContact CG2-CB 4.26Å |
| 823 | R | 76.1 | Confident | 81 | Confident | 110 Ų | 110 | 32 Ų | 32 | 42% | 0.415 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -73.1 | -32.8 | 178.2 | -72.8 | 178.5 | 77.3 | 179.8 | 4.9 | 112 | Y272 K275 R819 Q820 A821 | Y272-R823 PolarHBondContact OH-NH2 2.94Å; K275-R823 WeakPolarHBondContact CE-O 3.33Å; K275-R823 PolarHBondContact NZ-O 3.25Å; R819-R823 WeakPolarHBondContact O-CB 3.46Å; R819-R823 VanDerWaalsContact O-CG 3.28Å; R819-R823 WeakPolarHBondContact O-CG 3.35Å; R819-R823 PolarHBondContact O-N 3.26Å; Q820-R823 PolarHBondContact O-N 3.06Å; A821-R823 VanDerWaalsContact C-N 3.35Å; A821-R823 PolarHBondContact O-N 3.35Å |
| 824 | N | 78.1 | Confident | 81.2 | Confident | 13 Ų | 13 | 32.9 Ų | 32.9 | 7% | 0.07 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -92.9 | -13.3 | -175.2 | -71.7 | -61.8 | 0 | 0 | 0 | 114.2 | K275 V801 Q820 A821 | K275-N824 WeakPolarHBondContact CE-O 3.15Å; K275-N824 PolarHBondContact NZ-O 2.87Å; V801-N824 HydrophobicContact CG1-CB 3.73Å; V801-N824 HydrophobicContact CG2-CB 4.2Å; Q820-N824 WeakPolarHBondContact O-CB 3.48Å; Q820-N824 PolarHBondContact O-N 3.19Å; Q820-N824 PolarHBondContact O-ND2 2.94Å; A821-N824 CarbonylContact O-C 3.56Å; A821-N824 PolarHBondContact O-N 2.99Å; A821-N824 VanDerWaalsContact O-N 3.12Å |
| 825 | S | 87.8 | Confident | 81.8 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -77.3 | 166.9 | 176 | 65.9 | 0 | 0 | 0 | 0 | 113.1 | K275 N390 G810 G812 A821 V822 Y827 | K275-S825 PolarHBondContact NZ-O 3.2Å; N390-S825 WeakPolarHBondContact CB-O 3.45Å; N390-S825 PolarHBondContact ND2-O 3.45Å; G810-S825 WeakPolarHBondContact O-CB 3.4Å; G812-S825 PolarHBondContact N-OG 2.76Å; A821-S825 WeakPolarHBondContact O-CB 3.22Å; A821-S825 PolarHBondContact O-N 2.7Å; A821-S825 PolarHBondContact O-OG 2.99Å; V822-S825 PolarHBondContact O-OG 3.3Å; V822-S825 VanDerWaalsContact O-OG 3.1Å; S825-Y827 VanDerWaalsContact CB-O 3.22Å; S825-Y827 WeakPolarHBondContact CB-O 3.26Å; S825-Y827 PolarHBondContact OG-O 3.3Å |
| 826 | D | 90.9 | Very high | 83 | Confident | 6 Ų | 6 | 31.4 Ų | 31.4 | 3% | 0.032 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -83.2 | -38.8 | 173.4 | -59.6 | -56.8 | 0 | 0 | 0 | 111 | K278 N390 T391 L394 G810 | K278-D826 WeakPolarHBondContact CE-OD2 3.42Å; K278-D826 IonicContact NZ-OD2 3.94Å; K278-D826 PolarHBondContact NZ-OD2 2.97Å; N390-D826 WeakPolarHBondContact CA-O 3.36Å; N390-D826 WeakPolarHBondContact CB-O 3.44Å; N390-D826 PolarHBondContact N-O 2.86Å; T391-D826 WeakPolarHBondContact CB-OD1 3.42Å; T391-D826 PolarHBondContact N-O 3.17Å; T391-D826 VanDerWaalsContact N-O 3.1Å; T391-D826 PolarHBondContact OG1-OD1 3.29Å; L394-D826 HydrophobicContact CD1-CB 4.09Å; G810-D826 PolarHBondContact N-OD2 3.34Å; G810-D826 WeakPolarHBondContact O-CA 3.41Å; G810-D826 WeakPolarHBondContact O-CB 3.44Å; G810-D826 PolarHBondContact O-N 3.45Å |
| 827 | Y | 93.7 | Very high | 84.7 | Confident | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.008 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 153.6 | 173.4 | -54.3 | -88 | 0 | 0 | 0 | 110 | I372 Q388 V389 L394 N395 L398 V809 G810 I811 G812 S825 | I372-Y827 HydrophobicContact CD1-CD1 4.33Å; I372-Y827 HydrophobicContact CD1-CE1 3.86Å; Q388-Y827 CarbonylContact O-C 3.47Å; Q388-Y827 WeakPolarHBondContact O-CA 3.43Å; V389-Y827 HydrophobicContact CB-CD1 4.35Å; V389-Y827 HydrophobicContact CB-CE1 4.47Å; V389-Y827 HydrophobicContact CG1-CD1 3.98Å; V389-Y827 HydrophobicContact CG1-CE1 3.71Å; V389-Y827 HydrophobicContact CG2-CD1 3.99Å; V389-Y827 HydrophobicContact CG2-CE1 4.15Å; L394-Y827 PolarHBondContact O-OH 3.14Å; N395-Y827 WeakPolarHBondContact CA-OH 3.5Å; N395-Y827 PolarHBondContact N-OH 3.15Å; N395-Y827 VanDerWaalsContact N-OH 3.1Å; N395-Y827 PolarHBondContact OD1-OH 3.34Å; N395-Y827 VanDerWaalsContact OD1-OH 3.14Å; L398-Y827 HydrophobicContact CD1-CE1 3.97Å; L398-Y827 HydrophobicContact CD1-CE2 4.07Å; L398-Y827 HydrophobicContact CD2-CD2 4.14Å; L398-Y827 HydrophobicContact CD2-CE2 3.86Å; L398-Y827 HydrophobicContact CG-CE2 4Å; V809-Y827 HydrophobicContact CG1-CD2 3.81Å; V809-Y827 HydrophobicContact CG1-CE2 3.74Å; G810-Y827 PolarHBondContact O-N 3.49Å; G810-Y827 VanDerWaalsContact O-N 3.13Å; I811-Y827 CarbonylContact C-O 3.51Å; I811-Y827 WeakPolarHBondContact CA-O 3.37Å; I811-Y827 HydrophobicContact CG1-CD2 4.41Å; G812-Y827 PolarHBondContact N-O 2.68Å; S825-Y827 VanDerWaalsContact CB-O 3.22Å; S825-Y827 WeakPolarHBondContact CB-O 3.26Å; S825-Y827 PolarHBondContact OG-O 3.3Å |
| 828 | A | 92.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 132.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111 | A387 Q388 G812 M814 V822 | A387-A828 CarbonylContact C-O 3.6Å; A387-A828 VanDerWaalsContact CA-O 3.31Å; A387-A828 WeakPolarHBondContact CA-O 3.38Å; Q388-A828 HydrophobicContact CB-CB 4.32Å; Q388-A828 PolarHBondContact N-O 3.04Å; Q388-A828 PolarHBondContact O-N 2.93Å; G812-A828 WeakPolarHBondContact O-CA 3.29Å; M814-A828 HydrophobicContact CE-CB 3.45Å; M814-A828 VanDerWaalsContact CE-CB 3.45Å; M814-A828 HydrophobicContact CG-CB 4.3Å; V822-A828 HydrophobicContact CB-CB 4.26Å; V822-A828 HydrophobicContact CG1-CB 3.63Å; V822-A828 HydrophobicContact CG2-CB 4.26Å |
| 829 | I | 94.7 | Very high | 88.4 | Confident | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 152.1 | -179.9 | 61 | 179.4 | 0 | 0 | 0 | 109 | A387 I811 G812 I813 M814 R831 F834 L835 L838 | A387-I829 HydrophobicContact CB-CG2 4.47Å; I811-I829 HydrophobicContact CG2-CD1 3.81Å; I811-I829 HydrophobicContact CG2-CG1 3.79Å; G812-I829 PolarHBondContact O-N 3.25Å; I813-I829 CarbonylContact C-O 2.98Å; I813-I829 VanDerWaalsContact CA-O 3.29Å; I813-I829 WeakPolarHBondContact CA-O 3.45Å; I813-I829 HydrophobicContact CG1-CG1 4.26Å; M814-I829 PolarHBondContact N-O 2.93Å; I829-R831 WeakPolarHBondContact CD1-O 3.4Å; I829-F834 HydrophobicContact CB-CB 4.37Å; I829-F834 HydrophobicContact CD1-CB 4.36Å; I829-L835 HydrophobicContact CD1-CB 4.34Å; I829-L838 HydrophobicContact CG2-CD2 4.08Å |
| 830 | A | 91.6 | Very high | 89.7 | Confident | 3 Ų | 3 | 15.6 Ų | 15.6 | 3% | 0.025 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -77.5 | -32.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | H380 Q385 F834 | H380-A830 HydrophobicContact CB-CB 3.48Å; H380-A830 VanDerWaalsContact CB-CB 3.48Å; Q385-A830 HydrophobicContact CB-CB 4.1Å; A830-F834 HydrophobicContact CB-CE2 4.13Å |
| 831 | R | 92.4 | Very high | 90.9 | Very high | 40 Ų | 40 | 14.7 Ų | 14.7 | 15% | 0.151 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -141.3 | 155.8 | -175.8 | -62.2 | -62.9 | -170.2 | 162.6 | 12.3 | 111.7 | H380 E382 E414 I829 K833 F834 | H380-R831 VanDerWaalsContact CD2-CG 3.44Å; H380-R831 WeakPolarHBondContact CD2-CG 3.31Å; H380-R831 PolarHBondContact CE1-NE 3.01Å; H380-R831 VanDerWaalsContact CE1-NE 3.32Å; H380-R831 PolarHBondContact NE2-NE 2.85Å; E382-R831 IonicContact OE2-NH2 3.78Å; E414-R831 IonicContact OE1-CZ 3.37Å; E414-R831 VanDerWaalsContact OE1-CZ 3.27Å; E414-R831 IonicContact OE1-NH1 3.65Å; E414-R831 PolarHBondContact OE1-NH1 3.29Å; E414-R831 IonicContact OE1-NH2 3.43Å; E414-R831 PolarHBondContact OE1-NH2 3.12Å; I829-R831 WeakPolarHBondContact CD1-O 3.4Å; R831-K833 VanDerWaalsContact C-N 3.32Å; R831-K833 HydrophobicContact CB-CG 4.11Å; R831-K833 PolarHBondContact O-N 3.17Å; R831-F834 HydrophobicContact CB-CD2 3.99Å; R831-F834 HydrophobicContact CB-CE2 3.9Å; R831-F834 HydrophobicContact CG-CE2 4.19Å; R831-F834 PolarHBondContact O-N 3.17Å |
| 832 | F | 94.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -36 | 179.9 | -171.1 | -94.9 | 0 | 0 | 0 | 113.4 | L404 T411 L412 V663 T666 I667 I813 F834 L835 | L404-F832 HydrophobicContact CD2-CZ 4.34Å; T411-F832 HydrophobicContact CG2-CD2 3.93Å; T411-F832 HydrophobicContact CG2-CE2 4.3Å; L412-F832 HydrophobicContact CD2-CD1 4.37Å; L412-F832 HydrophobicContact CD2-CD2 4.14Å; L412-F832 HydrophobicContact CD2-CE1 4.07Å; L412-F832 HydrophobicContact CD2-CE2 3.83Å; L412-F832 HydrophobicContact CD2-CG 4.4Å; L412-F832 HydrophobicContact CD2-CZ 3.79Å; V663-F832 HydrophobicContact CB-CD1 4.48Å; V663-F832 HydrophobicContact CG1-CD1 4.38Å; V663-F832 HydrophobicContact CG2-CB 4.15Å; V663-F832 HydrophobicContact CG2-CD1 3.94Å; V663-F832 HydrophobicContact CG2-CG 4.32Å; T666-F832 HydrophobicContact CG2-CD1 3.82Å; T666-F832 HydrophobicContact CG2-CE1 3.59Å; I667-F832 HydrophobicContact CG1-CE1 4.07Å; I667-F832 HydrophobicContact CG1-CZ 4.38Å; I813-F832 HydrophobicContact CD1-CB 4.14Å; I813-F832 HydrophobicContact CD1-CD2 4.24Å; F832-F834 PolarHBondContact O-N 2.98Å; F832-L835 HydrophobicContact CE2-CD2 3.94Å; F832-L835 HydrophobicContact CZ-CD2 4.03Å; F832-L835 WeakPolarHBondContact O-CB 3.34Å; F832-L835 PolarHBondContact O-N 3.45Å |
| 833 | K | 94.6 | Very high | 92.4 | Very high | 52 Ų | 52 | 15 Ų | 15 | 23% | 0.226 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -29.1 | 179.7 | 65.5 | -174.1 | 173.1 | -164.3 | 0 | 114.8 | D661 K662 R831 L835 A836 | D661-K833 HydrophobicContact CB-CD 3.99Å; D661-K833 IonicContact OD2-NZ 3.86Å; D661-K833 PolarHBondContact OD2-NZ 3.02Å; K662-K833 HydrophobicContact CB-CB 4.15Å; R831-K833 VanDerWaalsContact C-N 3.32Å; R831-K833 HydrophobicContact CB-CG 4.11Å; R831-K833 PolarHBondContact O-N 3.17Å; K833-L835 PolarHBondContact O-N 2.89Å; K833-A836 PolarHBondContact O-N 3.45Å |
| 834 | F | 96.1 | Very high | 93.3 | Very high | 20 Ų | 20 | 9.8 Ų | 9.8 | 9% | 0.088 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -70.4 | -16.5 | 179.6 | -61.8 | -42.7 | 0 | 0 | 0 | 113.3 | D377 L378 H380 I829 A830 R831 F832 A836 K837 L838 | D377-F834 WeakPolarHBondContact O-CD1 3.24Å; D377-F834 WeakPolarHBondContact O-CE1 3.48Å; L378-F834 HydrophobicContact CD2-CB 3.76Å; L378-F834 HydrophobicContact CD2-CD1 4.24Å; L378-F834 HydrophobicContact CD2-CG 4.22Å; H380-F834 HydrophobicContact CB-CE2 4.03Å; H380-F834 HydrophobicContact CB-CZ 4.24Å; I829-F834 HydrophobicContact CB-CB 4.37Å; I829-F834 HydrophobicContact CD1-CB 4.36Å; A830-F834 HydrophobicContact CB-CE2 4.13Å; R831-F834 HydrophobicContact CB-CD2 3.99Å; R831-F834 HydrophobicContact CB-CE2 3.9Å; R831-F834 HydrophobicContact CG-CE2 4.19Å; R831-F834 PolarHBondContact O-N 3.17Å; F832-F834 PolarHBondContact O-N 2.98Å; F834-A836 VanDerWaalsContact C-N 3.28Å; F834-A836 PolarHBondContact O-N 3.49Å; F834-K837 PolarHBondContact O-N 2.95Å; F834-L838 WeakPolarHBondContact O-CB 3.47Å; F834-L838 PolarHBondContact O-N 3.33Å |
| 835 | L | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -60.4 | -37.4 | 177.4 | -172.2 | 62.2 | 0 | 0 | 0 | 112.2 | L404 L670 L792 V794 I811 I829 F832 K833 L838 L839 | L404-L835 HydrophobicContact CD1-CD2 4.07Å; L404-L835 HydrophobicContact CD2-CD2 3.7Å; L670-L835 HydrophobicContact CD1-CD2 3.86Å; L670-L835 HydrophobicContact CD1-CG 4.21Å; L792-L835 HydrophobicContact CD2-CD1 4.49Å; V794-L835 HydrophobicContact CG2-CD1 4.44Å; V794-L835 HydrophobicContact CG2-CD2 4.02Å; I811-L835 HydrophobicContact CD1-CD1 3.43Å; I811-L835 VanDerWaalsContact CD1-CD1 3.43Å; I829-L835 HydrophobicContact CD1-CB 4.34Å; F832-L835 HydrophobicContact CE2-CD2 3.94Å; F832-L835 HydrophobicContact CZ-CD2 4.03Å; F832-L835 WeakPolarHBondContact O-CB 3.34Å; F832-L835 PolarHBondContact O-N 3.45Å; K833-L835 PolarHBondContact O-N 2.89Å; L835-L838 PolarHBondContact O-N 3.46Å; L835-L839 HydrophobicContact CD1-CD1 3.82Å; L835-L839 HydrophobicContact CD1-CG 3.99Å; L835-L839 HydrophobicContact CG-CD1 3.9Å; L835-L839 HydrophobicContact CG-CG 4.36Å; L835-L839 WeakPolarHBondContact O-CG 3.37Å; L835-L839 PolarHBondContact O-N 3.49Å |
| 836 | A | 95 | Very high | 94.4 | Very high | 17 Ų | 17 | 9.9 Ų | 9.9 | 14% | 0.14 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -59 | -52.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T666 V669 K833 F834 L840 | T666-A836 HydrophobicContact CG2-CB 4.15Å; V669-A836 HydrophobicContact CG1-CB 4.22Å; K833-A836 PolarHBondContact O-N 3.45Å; F834-A836 VanDerWaalsContact C-N 3.28Å; F834-A836 PolarHBondContact O-N 3.49Å; A836-L840 VanDerWaalsContact O-CB 3.23Å; A836-L840 WeakPolarHBondContact O-CB 3.37Å; A836-L840 WeakPolarHBondContact O-CG 3.46Å; A836-L840 PolarHBondContact O-N 3.4Å |
| 837 | K | 95.4 | Very high | 94.6 | Very high | 27 Ų | 27 | 9.6 Ų | 9.6 | 12% | 0.117 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -66 | -41.6 | 179.3 | -173.8 | 175.6 | -173.2 | -168.4 | 0 | 111.7 | D375 D377 L378 F834 L839 V841 H842 | D375-K837 VanDerWaalsContact CG-NZ 3.26Å; D375-K837 IonicContact OD1-NZ 2.93Å; D375-K837 PolarHBondContact OD1-NZ 2.89Å; D375-K837 WeakPolarHBondContact OD2-CE 3.49Å; D375-K837 IonicContact OD2-NZ 3.8Å; D375-K837 PolarHBondContact OD2-NZ 3.45Å; D377-K837 HydrophobicContact CB-CD 3.75Å; D377-K837 VanDerWaalsContact CB-NZ 3.26Å; D377-K837 VanDerWaalsContact CG-NZ 3.3Å; D377-K837 IonicContact OD2-NZ 3.36Å; D377-K837 PolarHBondContact OD2-NZ 3.03Å; L378-K837 HydrophobicContact CD2-CB 4.17Å; L378-K837 HydrophobicContact CD2-CD 4.33Å; L378-K837 HydrophobicContact CD2-CG 4.41Å; F834-K837 PolarHBondContact O-N 2.95Å; K837-L839 PolarHBondContact O-N 3.3Å; K837-V841 HydrophobicContact CG-CB 4.21Å; K837-V841 HydrophobicContact CG-CG2 3.99Å; K837-V841 VanDerWaalsContact O-CB 3.3Å; K837-V841 WeakPolarHBondContact O-CB 3.41Å; K837-V841 PolarHBondContact O-N 3.04Å; K837-H842 PolarHBondContact O-N 2.92Å |
| 838 | L | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.047 | C | C | . | . | I | π-helix | trans | -59.9 | -42.7 | -180 | -177.3 | 63.4 | 0 | 0 | 0 | 112.4 | I372 L378 L398 I811 I829 F834 L835 H842 G843 | I372-L838 HydrophobicContact CD1-CD1 4.29Å; I372-L838 HydrophobicContact CG2-CD1 3.97Å; L378-L838 HydrophobicContact CD1-CD1 4.49Å; L398-L838 HydrophobicContact CD1-CD1 3.93Å; L398-L838 HydrophobicContact CD1-CG 4.15Å; L398-L838 HydrophobicContact CD2-CD2 4.49Å; L398-L838 HydrophobicContact CD2-CG 4.43Å; I811-L838 HydrophobicContact CD1-CD2 3.76Å; I829-L838 HydrophobicContact CG2-CD2 4.08Å; F834-L838 WeakPolarHBondContact O-CB 3.47Å; F834-L838 PolarHBondContact O-N 3.33Å; L835-L838 PolarHBondContact O-N 3.46Å; L838-H842 HydrophobicContact CD1-CB 4.33Å; L838-H842 WeakPolarHBondContact O-CB 3.25Å; L838-G843 PolarHBondContact O-N 2.98Å |
| 839 | L | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.05 | C | C | . | . | I | π-helix | trans | -80.8 | -51.3 | 179.7 | -62.4 | 178.5 | 0 | 0 | 0 | 112.1 | L398 V401 L670 I675 L792 L835 K837 G843 H844 | L398-L839 HydrophobicContact CB-CD2 4.13Å; L398-L839 HydrophobicContact CD2-CD2 3.74Å; L398-L839 WeakPolarHBondContact O-CD2 3.45Å; V401-L839 HydrophobicContact CG2-CD2 4.15Å; L670-L839 HydrophobicContact CD2-CD1 3.89Å; I675-L839 HydrophobicContact CD1-CD1 4.09Å; L792-L839 HydrophobicContact CD1-CD1 4.4Å; L792-L839 HydrophobicContact CD1-CD2 3.7Å; L835-L839 HydrophobicContact CD1-CD1 3.82Å; L835-L839 HydrophobicContact CD1-CG 3.99Å; L835-L839 HydrophobicContact CG-CD1 3.9Å; L835-L839 HydrophobicContact CG-CG 4.36Å; L835-L839 WeakPolarHBondContact O-CG 3.37Å; L835-L839 PolarHBondContact O-N 3.49Å; K837-L839 PolarHBondContact O-N 3.3Å; L839-G843 VanDerWaalsContact O-CA 3.31Å; L839-G843 WeakPolarHBondContact O-CA 3.39Å; L839-G843 PolarHBondContact O-N 3.06Å; L839-H844 PolarHBondContact O-N 3.34Å |
| 840 | L | 94.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 10.5 Ų | 10.5 | 2% | 0.021 | 5% | 0.049 | C | C | . | . | I | π-helix | trans | -73.9 | -32.6 | -170.4 | -59 | -179.1 | 0 | 0 | 0 | 113.5 | V669 A673 A836 H844 P919 Y922 | V669-L840 HydrophobicContact CG1-CD1 3.35Å; A673-L840 HydrophobicContact CB-CD2 3.63Å; A836-L840 VanDerWaalsContact O-CB 3.23Å; A836-L840 WeakPolarHBondContact O-CB 3.37Å; A836-L840 WeakPolarHBondContact O-CG 3.46Å; A836-L840 PolarHBondContact O-N 3.4Å; L840-H844 WeakPolarHBondContact O-CB 3.44Å; L840-P919 HydrophobicContact CD1-CB 3.98Å; L840-P919 HydrophobicContact CD1-CG 4.22Å; L840-P919 HydrophobicContact CD2-CB 4.47Å; L840-Y922 HydrophobicContact CD2-CD2 3.9Å; L840-Y922 HydrophobicContact CD2-CG 3.98Å |
| 841 | V | 94.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 10.4 Ų | 10.4 | 2% | 0.024 | 5% | 0.048 | C | C | . | . | I | π-helix | trans | -98.2 | -65.3 | -179.7 | -176.4 | 0 | 0 | 0 | 0 | 110.3 | K837 H844 F845 P912 L915 Q916 | K837-V841 HydrophobicContact CG-CB 4.21Å; K837-V841 HydrophobicContact CG-CG2 3.99Å; K837-V841 VanDerWaalsContact O-CB 3.3Å; K837-V841 WeakPolarHBondContact O-CB 3.41Å; K837-V841 PolarHBondContact O-N 3.04Å; V841-H844 PolarHBondContact O-N 3.31Å; V841-F845 HydrophobicContact CG1-CD2 3.96Å; V841-F845 HydrophobicContact CG1-CE2 3.53Å; V841-F845 HydrophobicContact CG1-CZ 4.13Å; V841-F845 WeakPolarHBondContact O-CB 3.22Å; V841-F845 WeakPolarHBondContact O-CD2 3.33Å; V841-F845 WeakPolarHBondContact O-CG 3.4Å; V841-F845 PolarHBondContact O-N 3.45Å; V841-P912 HydrophobicContact CG1-CB 3.89Å; V841-P912 HydrophobicContact CG1-CG 4.36Å; V841-L915 HydrophobicContact CG2-CB 4.2Å; V841-Q916 HydrophobicContact CG2-CG 3.59Å |
| 842 | H | 95.6 | Very high | 94.8 | Very high | 15 Ų | 15 | 9.5 Ų | 9.5 | 7% | 0.069 | 5% | 0.047 | C | C | . | . | I | π-helix | trans | -65.6 | -48.8 | -175.1 | -74.9 | -78.1 | 0 | 0 | 0 | 111.4 | D375 K837 L838 H844 F845 Y846 | D375-H842 IonicContact OD2-CD2 3.48Å; D375-H842 IonicContact OD2-CE1 3.75Å; D375-H842 IonicContact OD2-NE2 3.48Å; D375-H842 PolarHBondContact OD2-NE2 3.29Å; K837-H842 PolarHBondContact O-N 2.92Å; L838-H842 HydrophobicContact CD1-CB 4.33Å; L838-H842 WeakPolarHBondContact O-CB 3.25Å; H842-H844 VanDerWaalsContact C-N 3.32Å; H842-H844 PolarHBondContact O-N 3.2Å; H842-F845 PolarHBondContact O-N 3.32Å; H842-Y846 HydrophobicContact CB-CD2 4.17Å; H842-Y846 HydrophobicContact CB-CE2 3.89Å; H842-Y846 AromaticContact ND1-CE2 3.94Å; H842-Y846 WeakPolarHBondContact O-CD2 3.28Å; H842-Y846 PolarHBondContact O-N 3.14Å |
| 843 | G | 94.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.047 | C | C | . | . | I | π-helix | trans | -56.6 | -44.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G399 L838 L839 Y847 | G399-G843 VanDerWaalsContact CA-C 3.43Å; G399-G843 VanDerWaalsContact CA-O 3.29Å; G399-G843 WeakPolarHBondContact CA-O 3.35Å; L838-G843 PolarHBondContact O-N 2.98Å; L839-G843 VanDerWaalsContact O-CA 3.31Å; L839-G843 WeakPolarHBondContact O-CA 3.39Å; L839-G843 PolarHBondContact O-N 3.06Å; G843-Y847 WeakPolarHBondContact O-CB 3.21Å; G843-Y847 PolarHBondContact O-N 3.08Å |
| 844 | H | 93.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 7.1 Ų | 7.1 | 1% | 0.005 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -62.5 | -47 | 177.7 | -167.7 | 101.7 | 0 | 0 | 0 | 112.4 | L839 L840 V841 H842 I848 L915 I925 | L839-H844 PolarHBondContact O-N 3.34Å; L840-H844 WeakPolarHBondContact O-CB 3.44Å; V841-H844 PolarHBondContact O-N 3.31Å; H842-H844 VanDerWaalsContact C-N 3.32Å; H842-H844 PolarHBondContact O-N 3.2Å; H844-I848 WeakPolarHBondContact CD2-CD1 3.49Å; H844-I848 WeakPolarHBondContact NE2-CD1 3.36Å; H844-I848 WeakPolarHBondContact O-CG1 3.4Å; H844-I848 PolarHBondContact O-N 3.02Å; H844-I848 VanDerWaalsContact O-N 3.16Å; H844-L915 HydrophobicContact CB-CD1 4.36Å; H844-I925 HydrophobicContact CB-CD1 3.98Å; H844-I925 WeakPolarHBondContact ND1-CD1 3.3Å |
| 845 | F | 94.4 | Very high | 94.7 | Very high | 12 Ų | 12 | 6.3 Ų | 6.3 | 5% | 0.053 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -62 | -49.4 | 176.5 | -71 | -21.4 | 0 | 0 | 0 | 112.7 | V841 H842 Y847 I848 R849 Q908 V910 P912 L915 | V841-F845 HydrophobicContact CG1-CD2 3.96Å; V841-F845 HydrophobicContact CG1-CE2 3.53Å; V841-F845 HydrophobicContact CG1-CZ 4.13Å; V841-F845 WeakPolarHBondContact O-CB 3.22Å; V841-F845 WeakPolarHBondContact O-CD2 3.33Å; V841-F845 WeakPolarHBondContact O-CG 3.4Å; V841-F845 PolarHBondContact O-N 3.45Å; H842-F845 PolarHBondContact O-N 3.32Å; F845-Y847 VanDerWaalsContact C-N 3.3Å; F845-Y847 PolarHBondContact O-N 3.01Å; F845-I848 PolarHBondContact O-N 3.09Å; F845-R849 VanDerWaalsContact O-CB 3.25Å; F845-R849 WeakPolarHBondContact O-CB 3.21Å; F845-R849 VanDerWaalsContact O-CD 3.27Å; F845-R849 WeakPolarHBondContact O-CD 3.02Å; F845-R849 WeakPolarHBondContact O-CG 3.35Å; F845-R849 PolarHBondContact O-N 3.16Å; F845-Q908 HydrophobicContact CE1-CB 4.32Å; F845-Q908 HydrophobicContact CE1-CG 4.45Å; F845-Q908 HydrophobicContact CE2-CG 4.24Å; F845-Q908 HydrophobicContact CZ-CB 4.25Å; F845-Q908 HydrophobicContact CZ-CG 4.06Å; F845-V910 WeakPolarHBondContact CE1-O 3.29Å; F845-V910 VanDerWaalsContact CZ-O 3.29Å; F845-V910 WeakPolarHBondContact CZ-O 3.26Å; F845-P912 HydrophobicContact CE2-CG 4.05Å; F845-P912 HydrophobicContact CZ-CG 4.01Å; F845-L915 HydrophobicContact CD1-CD1 3.99Å; F845-L915 HydrophobicContact CE1-CD1 3.39Å; F845-L915 HydrophobicContact CZ-CD1 3.77Å |
| 846 | Y | 95.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 6.4 Ų | 6.4 | 1% | 0.008 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -62.3 | -39.4 | -178 | -73 | -56.9 | 0 | 0 | 0 | 112.3 | G368 I372 N395 H842 I850 | G368-Y846 PolarHBondContact O-OH 2.99Å; I372-Y846 HydrophobicContact CD1-CE2 3.78Å; I372-Y846 HydrophobicContact CG1-CE2 3.86Å; N395-Y846 HydrophobicContact CB-CD1 4.03Å; N395-Y846 HydrophobicContact CB-CD2 3.86Å; N395-Y846 HydrophobicContact CB-CE1 4.43Å; N395-Y846 HydrophobicContact CB-CE2 4.29Å; N395-Y846 HydrophobicContact CB-CG 3.77Å; N395-Y846 WeakPolarHBondContact O-CB 3.37Å; H842-Y846 HydrophobicContact CB-CD2 4.17Å; H842-Y846 HydrophobicContact CB-CE2 3.89Å; H842-Y846 AromaticContact ND1-CE2 3.94Å; H842-Y846 WeakPolarHBondContact O-CD2 3.28Å; H842-Y846 PolarHBondContact O-N 3.14Å; Y846-I850 WeakPolarHBondContact O-CB 3.32Å; Y846-I850 VanDerWaalsContact O-CG2 3.29Å; Y846-I850 WeakPolarHBondContact O-CG2 3.23Å; Y846-I850 PolarHBondContact O-N 3.44Å |
| 847 | Y | 94.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -63 | -49.6 | 176.5 | 178.8 | -104.4 | 0 | 0 | 0 | 112.5 | V282 Q400 G843 F845 I850 A851 I925 N928 S929 L930 | V282-Y847 HydrophobicContact CG2-CD2 4.46Å; V282-Y847 HydrophobicContact CG2-CE2 4.37Å; Q400-Y847 VanDerWaalsContact CD-CE2 3.48Å; Q400-Y847 HydrophobicContact CG-CD2 3.8Å; Q400-Y847 HydrophobicContact CG-CE2 4.04Å; Q400-Y847 VanDerWaalsContact NE2-CE2 3.28Å; Q400-Y847 VanDerWaalsContact NE2-CG 3.32Å; G843-Y847 WeakPolarHBondContact O-CB 3.21Å; G843-Y847 PolarHBondContact O-N 3.08Å; F845-Y847 VanDerWaalsContact C-N 3.3Å; F845-Y847 PolarHBondContact O-N 3.01Å; Y847-I850 WeakPolarHBondContact O-CG2 3.28Å; Y847-A851 WeakPolarHBondContact O-CB 3.48Å; Y847-A851 PolarHBondContact O-N 3.16Å; Y847-I925 HydrophobicContact CD1-CB 3.62Å; Y847-I925 HydrophobicContact CD1-CD1 4.19Å; Y847-I925 HydrophobicContact CD1-CG1 4.46Å; Y847-I925 HydrophobicContact CD1-CG2 3.99Å; Y847-I925 HydrophobicContact CE1-CB 3.83Å; Y847-I925 HydrophobicContact CE1-CG2 4.28Å; Y847-N928 VanDerWaalsContact CE2-OD1 3.22Å; Y847-N928 WeakPolarHBondContact CE2-OD1 3.35Å; Y847-N928 WeakPolarHBondContact OH-CA 3.25Å; Y847-N928 PolarHBondContact OH-O 3.39Å; Y847-N928 PolarHBondContact OH-OD1 3.37Å; Y847-S929 PolarHBondContact OH-N 3.49Å; Y847-L930 HydrophobicContact CD1-CD1 4.16Å; Y847-L930 HydrophobicContact CE1-CB 3.99Å; Y847-L930 HydrophobicContact CE1-CD1 3.7Å; Y847-L930 HydrophobicContact CE1-CG 3.93Å; Y847-L930 PolarHBondContact OH-N 3.19Å |
| 848 | I | 92.9 | Very high | 94.6 | Very high | 11 Ų | 11 | 4.3 Ų | 4.3 | 6% | 0.056 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -63.6 | -46.3 | -179.9 | -68.6 | 174.5 | 0 | 0 | 0 | 111 | H844 F845 I850 A851 T852 L909 I925 L930 | H844-I848 WeakPolarHBondContact CD2-CD1 3.49Å; H844-I848 WeakPolarHBondContact NE2-CD1 3.36Å; H844-I848 WeakPolarHBondContact O-CG1 3.4Å; H844-I848 PolarHBondContact O-N 3.02Å; H844-I848 VanDerWaalsContact O-N 3.16Å; F845-I848 PolarHBondContact O-N 3.09Å; I848-I850 PolarHBondContact O-N 3.28Å; I848-A851 PolarHBondContact O-N 2.71Å; I848-T852 PolarHBondContact O-N 3.43Å; I848-T852 PolarHBondContact O-OG1 3.04Å; I848-L909 HydrophobicContact CD1-CB 4.34Å; I848-L909 HydrophobicContact CD1-CD2 3.74Å; I848-I925 HydrophobicContact CD1-CG2 4.26Å; I848-I925 HydrophobicContact CG1-CG2 4.17Å; I848-L930 HydrophobicContact CB-CD1 4.48Å; I848-L930 HydrophobicContact CG1-CD1 3.95Å |
| 849 | R | 94.9 | Very high | 94.6 | Very high | 13 Ų | 13 | 4.3 Ų | 4.3 | 5% | 0.049 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -57 | -50.2 | -179.6 | -75.3 | 164.5 | -177.2 | 177.4 | 1.5 | 111.7 | F845 L853 S904 L905 E907 | F845-R849 VanDerWaalsContact O-CB 3.25Å; F845-R849 WeakPolarHBondContact O-CB 3.21Å; F845-R849 VanDerWaalsContact O-CD 3.27Å; F845-R849 WeakPolarHBondContact O-CD 3.02Å; F845-R849 WeakPolarHBondContact O-CG 3.35Å; F845-R849 PolarHBondContact O-N 3.16Å; R849-L853 WeakPolarHBondContact O-CB 3.45Å; R849-L853 PolarHBondContact O-N 3.18Å; R849-S904 WeakPolarHBondContact CB-O 3.38Å; R849-S904 VanDerWaalsContact CD-O 3.28Å; R849-S904 WeakPolarHBondContact CD-O 3.47Å; R849-S904 WeakPolarHBondContact CG-O 3.26Å; R849-L905 PolarHBondContact NH1-O 3.24Å; R849-E907 HydrophobicContact CG-CB 4.29Å; R849-E907 PolarHBondContact NE-O 2.85Å; R849-E907 PolarHBondContact NH2-O 3.41Å |
| 850 | I | 94.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 4.3 Ų | 4.3 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -71.9 | -37.8 | -178.5 | -159.1 | 168.9 | 0 | 0 | 0 | 111.7 | V282 V361 K365 E396 Y846 Y847 I848 L853 V854 | V282-I850 HydrophobicContact CG1-CD1 3.99Å; V282-I850 HydrophobicContact CG1-CG1 4.14Å; V282-I850 HydrophobicContact CG1-CG2 4.12Å; V282-I850 HydrophobicContact CG2-CG2 4.12Å; V361-I850 HydrophobicContact CG1-CD1 3.88Å; K365-I850 VanDerWaalsContact CE-CD1 3.41Å; K365-I850 HydrophobicContact CG-CD1 4.48Å; E396-I850 HydrophobicContact CB-CB 4.46Å; E396-I850 HydrophobicContact CB-CD1 4.41Å; E396-I850 HydrophobicContact CB-CG2 3.58Å; E396-I850 HydrophobicContact CG-CD1 4.13Å; E396-I850 HydrophobicContact CG-CG2 4.02Å; Y846-I850 WeakPolarHBondContact O-CB 3.32Å; Y846-I850 VanDerWaalsContact O-CG2 3.29Å; Y846-I850 WeakPolarHBondContact O-CG2 3.23Å; Y846-I850 PolarHBondContact O-N 3.44Å; Y847-I850 WeakPolarHBondContact O-CG2 3.28Å; I848-I850 PolarHBondContact O-N 3.28Å; I850-L853 PolarHBondContact O-N 3.01Å; I850-V854 HydrophobicContact CG1-CG2 4.43Å; I850-V854 WeakPolarHBondContact O-CG2 3.36Å; I850-V854 PolarHBondContact O-N 3.24Å |
| 851 | A | 93.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 4.1 Ų | 4.1 | 1% | 0.008 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -63 | -47.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y847 I848 V854 Q855 L930 L931 | Y847-A851 WeakPolarHBondContact O-CB 3.48Å; Y847-A851 PolarHBondContact O-N 3.16Å; I848-A851 PolarHBondContact O-N 2.71Å; A851-V854 PolarHBondContact O-N 3.35Å; A851-Q855 VanDerWaalsContact O-CG 3.25Å; A851-Q855 WeakPolarHBondContact O-CG 3.47Å; A851-Q855 PolarHBondContact O-N 3.24Å; A851-Q855 VanDerWaalsContact O-N 3.08Å; A851-L930 HydrophobicContact CB-CB 3.68Å; A851-L930 HydrophobicContact CB-CD1 4.06Å; A851-L931 HydrophobicContact CB-CD1 4.24Å; A851-L931 HydrophobicContact CB-CD2 4.24Å; A851-L931 HydrophobicContact CB-CG 3.91Å |
| 852 | T | 94.1 | Very high | 94.5 | Very high | 21 Ų | 21 | 4 Ų | 4 | 13% | 0.129 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -65.7 | -38.5 | 175.9 | -59 | 0 | 0 | 0 | 0 | 111.8 | I848 V854 Q855 Y856 Y903 | I848-T852 PolarHBondContact O-N 3.43Å; I848-T852 PolarHBondContact O-OG1 3.04Å; T852-V854 PolarHBondContact O-N 3.08Å; T852-Q855 PolarHBondContact O-N 2.9Å; T852-Y856 WeakPolarHBondContact O-CB 3.33Å; T852-Y856 PolarHBondContact O-N 3.03Å; T852-Y903 HydrophobicContact CG2-CE1 3.58Å; T852-Y903 WeakPolarHBondContact CG2-OH 3.41Å |
| 853 | L | 95.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 3.2 Ų | 3.2 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -56.3 | -52.4 | 174.2 | 178.9 | 158.3 | 0 | 0 | 0 | 111.4 | L357 T360 V361 Q364 R849 I850 Q855 Y856 F857 I900 S904 | L357-L853 HydrophobicContact CD1-CD2 3.82Å; T360-L853 HydrophobicContact CG2-CD1 4.07Å; V361-L853 HydrophobicContact CG2-CD2 3.47Å; V361-L853 VanDerWaalsContact CG2-CD2 3.47Å; Q364-L853 HydrophobicContact CB-CD1 4.39Å; Q364-L853 HydrophobicContact CG-CD1 4.39Å; R849-L853 WeakPolarHBondContact O-CB 3.45Å; R849-L853 PolarHBondContact O-N 3.18Å; I850-L853 PolarHBondContact O-N 3.01Å; L853-Q855 PolarHBondContact O-N 2.94Å; L853-Y856 PolarHBondContact O-N 3.44Å; L853-F857 HydrophobicContact CD2-CD2 3.68Å; L853-F857 HydrophobicContact CD2-CE2 4Å; L853-F857 HydrophobicContact CG-CD2 3.9Å; L853-F857 HydrophobicContact CG-CE2 4.03Å; L853-F857 WeakPolarHBondContact O-CB 3.38Å; L853-F857 WeakPolarHBondContact O-CD2 3.48Å; L853-F857 PolarHBondContact O-N 3.3Å; L853-I900 HydrophobicContact CB-CD1 4.48Å; L853-I900 HydrophobicContact CB-CG1 4.4Å; L853-I900 HydrophobicContact CG-CG1 4.03Å; L853-S904 VanDerWaalsContact CD1-CB 3.46Å; L853-S904 WeakPolarHBondContact CD1-OG 3.42Å |
| 854 | V | 93.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 3.3 Ų | 3.3 | 1% | 0.006 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -61.8 | -47.1 | -178 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | V282 M286 F289 L357 V361 I850 A851 T852 Y856 F857 F858 L931 | V282-V854 HydrophobicContact CG1-CG2 4.41Å; M286-V854 HydrophobicContact CG-CG1 4.39Å; F289-V854 HydrophobicContact CD2-CG1 4.44Å; L357-V854 HydrophobicContact CD1-CG2 4.36Å; V361-V854 HydrophobicContact CG2-CG2 4.39Å; I850-V854 HydrophobicContact CG1-CG2 4.43Å; I850-V854 WeakPolarHBondContact O-CG2 3.36Å; I850-V854 PolarHBondContact O-N 3.24Å; A851-V854 PolarHBondContact O-N 3.35Å; T852-V854 PolarHBondContact O-N 3.08Å; V854-Y856 PolarHBondContact O-N 3.21Å; V854-F857 PolarHBondContact O-N 3.02Å; V854-F858 HydrophobicContact CG1-CD2 4Å; V854-F858 HydrophobicContact CG1-CE2 3.72Å; V854-F858 VanDerWaalsContact O-CD2 3.23Å; V854-F858 WeakPolarHBondContact O-CD2 3.46Å; V854-F858 PolarHBondContact O-N 3.32Å; V854-L931 HydrophobicContact CB-CD2 4.09Å; V854-L931 HydrophobicContact CG1-CD2 4.09Å |
| 855 | Q | 94.6 | Very high | 94.5 | Very high | 4 Ų | 4 | 3.4 Ų | 3.4 | 2% | 0.019 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -61.9 | -45.3 | 179.3 | -65 | -69.7 | 12.4 | 0 | 0 | 112 | A851 T852 L853 F857 F858 Y859 L930 L931 W939 | A851-Q855 VanDerWaalsContact O-CG 3.25Å; A851-Q855 WeakPolarHBondContact O-CG 3.47Å; A851-Q855 PolarHBondContact O-N 3.24Å; A851-Q855 VanDerWaalsContact O-N 3.08Å; T852-Q855 PolarHBondContact O-N 2.9Å; L853-Q855 PolarHBondContact O-N 2.94Å; Q855-F857 PolarHBondContact O-N 3.31Å; Q855-F858 PolarHBondContact O-N 2.9Å; Q855-Y859 WeakPolarHBondContact O-CB 3.32Å; Q855-Y859 PolarHBondContact O-N 3.43Å; Q855-L930 PolarHBondContact NE2-O 3.45Å; Q855-L931 HydrophobicContact CG-CD2 4.05Å; Q855-W939 HydrophobicContact CB-CD2 4.12Å; Q855-W939 HydrophobicContact CB-CG 3.99Å |
| 856 | Y | 95.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 2.9 Ų | 2.9 | 0% | 0.004 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -63.6 | -40 | 178.4 | 175.9 | -95.4 | 0 | 0 | 0 | 112.2 | T852 L853 V854 F858 Y859 K860 I900 V996 L1000 | T852-Y856 WeakPolarHBondContact O-CB 3.33Å; T852-Y856 PolarHBondContact O-N 3.03Å; L853-Y856 PolarHBondContact O-N 3.44Å; V854-Y856 PolarHBondContact O-N 3.21Å; Y856-F858 VanDerWaalsContact C-N 3.33Å; Y856-F858 PolarHBondContact O-N 3.14Å; Y856-Y859 HydrophobicContact CD2-CD1 4.08Å; Y856-Y859 HydrophobicContact CE2-CD1 4.3Å; Y856-Y859 HydrophobicContact CE2-CE1 4.36Å; Y856-Y859 PolarHBondContact O-N 2.71Å; Y856-K860 HydrophobicContact CD1-CD 3.97Å; Y856-K860 HydrophobicContact CE1-CB 4.37Å; Y856-K860 HydrophobicContact CE1-CD 3.53Å; Y856-K860 WeakPolarHBondContact O-CB 3.34Å; Y856-K860 PolarHBondContact O-N 3.25Å; Y856-I900 HydrophobicContact CD1-CB 3.91Å; Y856-I900 HydrophobicContact CD1-CD1 3.49Å; Y856-I900 VanDerWaalsContact CD1-CD1 3.49Å; Y856-I900 HydrophobicContact CD1-CG1 3.59Å; Y856-I900 HydrophobicContact CE1-CB 3.84Å; Y856-I900 HydrophobicContact CE1-CD1 4.13Å; Y856-I900 HydrophobicContact CE1-CG1 4.07Å; Y856-I900 HydrophobicContact CE1-CG2 4.34Å; Y856-I900 HydrophobicContact CG-CD1 3.87Å; Y856-I900 HydrophobicContact CG-CG1 4.42Å; Y856-V996 PolarHBondContact OH-O 3.2Å; Y856-V996 VanDerWaalsContact OH-O 3.06Å; Y856-L1000 HydrophobicContact CD2-CB 4.44Å; Y856-L1000 HydrophobicContact CD2-CD1 4.27Å; Y856-L1000 HydrophobicContact CE1-CD2 4.41Å; Y856-L1000 HydrophobicContact CE2-CB 3.76Å; Y856-L1000 HydrophobicContact CE2-CD1 4.34Å; Y856-L1000 HydrophobicContact CE2-CG 4.49Å; Y856-L1000 HydrophobicContact CG-CD1 4.46Å |
| 857 | F | 93.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 2.8 Ų | 2.8 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -62.2 | -39.3 | 178.4 | -104.2 | -86.6 | 0 | 0 | 0 | 112.8 | P354 L357 T360 L853 V854 Q855 K860 N861 I900 | P354-F857 HydrophobicContact CB-CD1 4.14Å; L357-F857 HydrophobicContact CB-CD1 4.07Å; L357-F857 HydrophobicContact CB-CG 4.36Å; L357-F857 HydrophobicContact CD1-CB 3.71Å; L357-F857 HydrophobicContact CD1-CD1 4.33Å; L357-F857 HydrophobicContact CD1-CD2 4.05Å; L357-F857 HydrophobicContact CD1-CG 3.78Å; T360-F857 HydrophobicContact CG2-CE2 3.79Å; T360-F857 HydrophobicContact CG2-CZ 3.87Å; T360-F857 WeakPolarHBondContact OG1-CZ 3.27Å; L853-F857 HydrophobicContact CD2-CD2 3.68Å; L853-F857 HydrophobicContact CD2-CE2 4Å; L853-F857 HydrophobicContact CG-CD2 3.9Å; L853-F857 HydrophobicContact CG-CE2 4.03Å; L853-F857 WeakPolarHBondContact O-CB 3.38Å; L853-F857 WeakPolarHBondContact O-CD2 3.48Å; L853-F857 PolarHBondContact O-N 3.3Å; V854-F857 PolarHBondContact O-N 3.02Å; Q855-F857 PolarHBondContact O-N 3.31Å; F857-K860 HydrophobicContact CD1-CD 4.48Å; F857-K860 VanDerWaalsContact CE1-CE 3.43Å; F857-K860 WeakPolarHBondContact O-CG 3.32Å; F857-N861 PolarHBondContact O-N 3.34Å; F857-N861 PolarHBondContact O-ND2 3.23Å; F857-I900 HydrophobicContact CD2-CG1 4.14Å; F857-I900 HydrophobicContact CD2-CG2 4.29Å; F857-I900 HydrophobicContact CE2-CB 4.35Å; F857-I900 HydrophobicContact CE2-CG1 3.95Å; F857-I900 HydrophobicContact CE2-CG2 3.44Å; F857-I900 VanDerWaalsContact CE2-CG2 3.44Å; F857-I900 HydrophobicContact CZ-CG2 3.84Å |
| 858 | F | 93.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 2.9 Ų | 2.9 | 0% | 0.004 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -69.9 | -47.9 | 174.2 | -75.3 | -60.5 | 0 | 0 | 0 | 111.5 | F289 L290 Y293 P354 L357 V854 Q855 Y856 K860 N861 V862 F936 | F289-F858 HydrophobicContact CB-CE2 3.83Å; F289-F858 HydrophobicContact CB-CZ 3.95Å; F289-F858 HydrophobicContact CD2-CD2 4.41Å; F289-F858 HydrophobicContact CD2-CE2 4.01Å; F289-F858 HydrophobicContact CG-CE2 4.44Å; L290-F858 HydrophobicContact CD2-CE1 3.81Å; L290-F858 HydrophobicContact CD2-CZ 3.86Å; L290-F858 HydrophobicContact CG-CE1 4.37Å; L290-F858 HydrophobicContact CG-CZ 3.98Å; Y293-F858 AromaticContact CD2-CD1 3.4Å; Y293-F858 HydrophobicContact CD2-CD1 3.4Å; Y293-F858 VanDerWaalsContact CD2-CD1 3.4Å; Y293-F858 AromaticContact CD2-CE1 3.52Å; Y293-F858 HydrophobicContact CD2-CE1 3.52Å; Y293-F858 HydrophobicContact CD2-CG 4.2Å; Y293-F858 HydrophobicContact CD2-CZ 4.39Å; Y293-F858 HydrophobicContact CE2-CB 3.76Å; Y293-F858 AromaticContact CE2-CD1 3.1Å; Y293-F858 HydrophobicContact CE2-CD1 3.1Å; Y293-F858 HydrophobicContact CE2-CD2 4.35Å; Y293-F858 AromaticContact CE2-CE1 3.7Å; Y293-F858 HydrophobicContact CE2-CE1 3.7Å; Y293-F858 AromaticContact CE2-CG 3.49Å; Y293-F858 HydrophobicContact CE2-CG 3.49Å; Y293-F858 VanDerWaalsContact CE2-CG 3.49Å; Y293-F858 HydrophobicContact CG-CD1 4.39Å; Y293-F858 AromaticContact CZ-CD1 3.95Å; P354-F858 HydrophobicContact CG-CD1 4.13Å; P354-F858 HydrophobicContact CG-CE1 3.96Å; L357-F858 HydrophobicContact CD2-CE1 4.37Å; L357-F858 HydrophobicContact CD2-CE2 4.02Å; L357-F858 HydrophobicContact CD2-CZ 3.79Å; V854-F858 HydrophobicContact CG1-CD2 4Å; V854-F858 HydrophobicContact CG1-CE2 3.72Å; V854-F858 VanDerWaalsContact O-CD2 3.23Å; V854-F858 WeakPolarHBondContact O-CD2 3.46Å; V854-F858 PolarHBondContact O-N 3.32Å; Q855-F858 PolarHBondContact O-N 2.9Å; Y856-F858 VanDerWaalsContact C-N 3.33Å; Y856-F858 PolarHBondContact O-N 3.14Å; F858-K860 PolarHBondContact O-N 3.46Å; F858-N861 PolarHBondContact O-N 2.88Å; F858-N861 VanDerWaalsContact O-N 3.12Å; F858-V862 WeakPolarHBondContact O-CG2 3.36Å; F858-V862 PolarHBondContact O-N 3.18Å; F858-F936 HydrophobicContact CD2-CE2 4.46Å |
| 859 | Y | 95.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 3.7 Ų | 3.7 | 0% | 0 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -52.8 | -48.3 | 176.7 | 157.8 | -94.6 | 0 | 0 | 0 | 112.9 | Q855 Y856 N861 V862 C863 W939 L942 H946 V996 K999 | Q855-Y859 WeakPolarHBondContact O-CB 3.32Å; Q855-Y859 PolarHBondContact O-N 3.43Å; Y856-Y859 HydrophobicContact CD2-CD1 4.08Å; Y856-Y859 HydrophobicContact CE2-CD1 4.3Å; Y856-Y859 HydrophobicContact CE2-CE1 4.36Å; Y856-Y859 PolarHBondContact O-N 2.71Å; Y859-N861 VanDerWaalsContact C-N 3.27Å; Y859-N861 PolarHBondContact O-N 3.45Å; Y859-V862 PolarHBondContact O-N 3.02Å; Y859-C863 WeakPolarHBondContact CE2-SG 3.37Å; Y859-C863 VanDerWaalsContact CZ-SG 3.51Å; Y859-C863 WeakPolarHBondContact O-CB 3.49Å; Y859-C863 PolarHBondContact O-N 3.26Å; Y859-C863 PolarHBondContact O-SG 3.11Å; Y859-W939 HydrophobicContact CD1-CE3 4.39Å; Y859-W939 HydrophobicContact CD1-CZ3 4.31Å; Y859-W939 HydrophobicContact CD2-CE3 4.19Å; Y859-W939 AromaticContact CG-CE3 3.85Å; Y859-W939 HydrophobicContact CG-CE3 3.85Å; Y859-W939 HydrophobicContact CG-CZ3 4.21Å; Y859-L942 HydrophobicContact CD2-CB 4.48Å; Y859-L942 HydrophobicContact CD2-CD2 4.35Å; Y859-L942 HydrophobicContact CD2-CG 4.35Å; Y859-L942 HydrophobicContact CE2-CD2 4.08Å; Y859-L942 HydrophobicContact CE2-CG 3.96Å; Y859-H946 AromaticContact CE2-ND1 3.66Å; Y859-H946 AromaticContact CZ-ND1 3.62Å; Y859-H946 PolarHBondContact OH-CE1 3.01Å; Y859-H946 PolarHBondContact OH-ND1 3.44Å; Y859-V996 HydrophobicContact CE1-CG1 4.3Å; Y859-K999 HydrophobicContact CE1-CB 4.39Å; Y859-K999 HydrophobicContact CE1-CG 3.96Å |
| 860 | K | 95 | Very high | 94.7 | Very high | 0 Ų | 0 | 3.6 Ų | 3.6 | 0% | 0 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -67.8 | -26.5 | -177.6 | 84.8 | -169.9 | -175.7 | 80.1 | 0 | 112.8 | Y856 F857 F858 F864 Y891 N892 T896 V996 | Y856-K860 HydrophobicContact CD1-CD 3.97Å; Y856-K860 HydrophobicContact CE1-CB 4.37Å; Y856-K860 HydrophobicContact CE1-CD 3.53Å; Y856-K860 WeakPolarHBondContact O-CB 3.34Å; Y856-K860 PolarHBondContact O-N 3.25Å; F857-K860 HydrophobicContact CD1-CD 4.48Å; F857-K860 VanDerWaalsContact CE1-CE 3.43Å; F857-K860 WeakPolarHBondContact O-CG 3.32Å; F858-K860 PolarHBondContact O-N 3.46Å; K860-F864 WeakPolarHBondContact O-CB 3.4Å; K860-F864 PolarHBondContact O-N 3.15Å; K860-Y891 PolarHBondContact O-OH 3.34Å; K860-N892 PolarHBondContact NZ-OD1 3.44Å; K860-T896 PolarHBondContact NZ-OG1 2.98Å; K860-V996 HydrophobicContact CB-CG1 4.43Å |
| 861 | N | 93.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -83.4 | -35.1 | 177.9 | -79.6 | -83.1 | 0 | 0 | 0 | 111.9 | F351 F857 F858 Y859 F864 I865 N892 | F351-N861 PolarHBondContact O-OD1 3.36Å; F351-N861 VanDerWaalsContact O-OD1 3.06Å; F857-N861 PolarHBondContact O-N 3.34Å; F857-N861 PolarHBondContact O-ND2 3.23Å; F858-N861 PolarHBondContact O-N 2.88Å; F858-N861 VanDerWaalsContact O-N 3.12Å; Y859-N861 VanDerWaalsContact C-N 3.27Å; Y859-N861 PolarHBondContact O-N 3.45Å; N861-F864 WeakPolarHBondContact O-CB 3.36Å; N861-F864 PolarHBondContact O-N 3.38Å; N861-F864 VanDerWaalsContact O-N 3.14Å; N861-I865 WeakPolarHBondContact O-CG2 3.49Å; N861-I865 PolarHBondContact O-N 2.72Å; N861-N892 PolarHBondContact ND2-OD1 3.37Å; N861-N892 PolarHBondContact OD1-ND2 2.97Å; N861-N892 PolarHBondContact OD1-OD1 3.26Å; N861-N892 VanDerWaalsContact OD1-OD1 3.11Å |
| 862 | V | 95.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -59.8 | -48.6 | 167.6 | 175.6 | 0 | 0 | 0 | 0 | 110.3 | Y293 F858 Y859 F864 I865 T866 F944 | Y293-V862 HydrophobicContact CE1-CG2 3.46Å; Y293-V862 VanDerWaalsContact CE1-CG2 3.46Å; Y293-V862 VanDerWaalsContact OH-CG2 3.29Å; Y293-V862 WeakPolarHBondContact OH-CG2 3.48Å; F858-V862 WeakPolarHBondContact O-CG2 3.36Å; F858-V862 PolarHBondContact O-N 3.18Å; Y859-V862 PolarHBondContact O-N 3.02Å; V862-F864 PolarHBondContact O-N 3.06Å; V862-I865 PolarHBondContact O-N 3.43Å; V862-T866 WeakPolarHBondContact O-CB 3.48Å; V862-T866 PolarHBondContact O-N 3.43Å; V862-T866 PolarHBondContact O-OG1 3.46Å; V862-F944 HydrophobicContact CG1-CD1 3.82Å; V862-F944 HydrophobicContact CG1-CD2 4.13Å; V862-F944 HydrophobicContact CG1-CE1 3.96Å; V862-F944 HydrophobicContact CG1-CE2 4.27Å; V862-F944 HydrophobicContact CG1-CG 3.9Å; V862-F944 HydrophobicContact CG1-CZ 4.18Å |
| 863 | C | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -52.8 | -33 | 174.9 | -73.5 | 0 | 0 | 0 | 0 | 113.1 | Y859 P867 F950 V996 | Y859-C863 WeakPolarHBondContact CE2-SG 3.37Å; Y859-C863 VanDerWaalsContact CZ-SG 3.51Å; Y859-C863 WeakPolarHBondContact O-CB 3.49Å; Y859-C863 PolarHBondContact O-N 3.26Å; Y859-C863 PolarHBondContact O-SG 3.11Å; C863-P867 WeakPolarHBondContact O-CD 3.46Å; C863-P867 WeakPolarHBondContact O-CG 3.31Å; C863-F950 HydrophobicContact CB-CE2 4.06Å; C863-V996 HydrophobicContact CB-CG1 4.12Å |
| 864 | F | 94.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 12.5 Ų | 12.5 | 0% | 0.004 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -82.1 | -46.5 | -174.9 | 173.9 | -128.5 | 0 | 0 | 0 | 113.6 | F351 K860 N861 V862 P867 Y883 L888 Y891 F989 M992 | F351-F864 HydrophobicContact CB-CD1 4.11Å; F351-F864 HydrophobicContact CB-CE1 3.75Å; F351-F864 HydrophobicContact CD1-CE1 4.5Å; F351-F864 HydrophobicContact CG-CE1 4.07Å; K860-F864 WeakPolarHBondContact O-CB 3.4Å; K860-F864 PolarHBondContact O-N 3.15Å; N861-F864 WeakPolarHBondContact O-CB 3.36Å; N861-F864 PolarHBondContact O-N 3.38Å; N861-F864 VanDerWaalsContact O-N 3.14Å; V862-F864 PolarHBondContact O-N 3.06Å; F864-P867 WeakPolarHBondContact O-CD 3.44Å; F864-Y883 HydrophobicContact CD2-CD2 4.21Å; F864-Y883 AromaticContact CD2-CE2 3.71Å; F864-Y883 HydrophobicContact CD2-CE2 3.71Å; F864-Y883 AromaticContact CE2-CD2 3.53Å; F864-Y883 HydrophobicContact CE2-CD2 3.53Å; F864-Y883 AromaticContact CE2-CE2 3.52Å; F864-Y883 HydrophobicContact CE2-CE2 3.52Å; F864-Y883 HydrophobicContact CE2-CG 4.26Å; F864-Y883 HydrophobicContact CZ-CD2 4.18Å; F864-Y883 HydrophobicContact CZ-CE2 4.43Å; F864-Y883 VanDerWaalsContact O-CE2 3.29Å; F864-Y883 WeakPolarHBondContact O-CE2 3.33Å; F864-Y883 PolarHBondContact O-OH 3.48Å; F864-L888 HydrophobicContact CE1-CD2 4.29Å; F864-L888 HydrophobicContact CE2-CD2 4.18Å; F864-L888 HydrophobicContact CZ-CD2 3.48Å; F864-L888 VanDerWaalsContact CZ-CD2 3.48Å; F864-Y891 HydrophobicContact CB-CD1 4.18Å; F864-Y891 HydrophobicContact CB-CE1 3.54Å; F864-Y891 AromaticContact CD1-CD1 3.65Å; F864-Y891 HydrophobicContact CD1-CD1 3.65Å; F864-Y891 AromaticContact CD1-CE1 3.85Å; F864-Y891 HydrophobicContact CD1-CE1 3.85Å; F864-Y891 HydrophobicContact CD2-CD1 4.05Å; F864-Y891 HydrophobicContact CD2-CE1 4.17Å; F864-Y891 HydrophobicContact CD2-CG 4.28Å; F864-Y891 AromaticContact CE1-CD1 3.94Å; F864-Y891 HydrophobicContact CE1-CD1 3.94Å; F864-Y891 HydrophobicContact CE2-CD1 4.31Å; F864-Y891 HydrophobicContact CE2-CG 4.29Å; F864-Y891 AromaticContact CG-CD1 3.69Å; F864-Y891 HydrophobicContact CG-CD1 3.69Å; F864-Y891 AromaticContact CG-CE1 3.59Å; F864-Y891 HydrophobicContact CG-CE1 3.59Å; F864-Y891 HydrophobicContact CG-CG 4.38Å; F864-Y891 HydrophobicContact CZ-CD1 4.23Å; F864-Y891 HydrophobicContact CZ-CG 4.4Å; F864-F989 HydrophobicContact CD2-CE2 4.42Å; F864-F989 HydrophobicContact CE2-CD2 4.23Å; F864-F989 AromaticContact CE2-CE2 3.82Å; F864-F989 HydrophobicContact CE2-CE2 3.82Å; F864-M992 WeakPolarHBondContact CA-SD 3.43Å; F864-M992 HydrophobicContact CB-SD 3.8Å; F864-M992 HydrophobicContact CD2-CE 3.59Å; F864-M992 HydrophobicContact CD2-SD 3.67Å; F864-M992 HydrophobicContact CE2-CE 4.21Å; F864-M992 HydrophobicContact CG-SD 4.22Å |
| 865 | I | 94.6 | Very high | 94.2 | Very high | 3 Ų | 3 | 13.6 Ų | 13.6 | 2% | 0.015 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -87.7 | -27.5 | -173.9 | -161.7 | 67.4 | 0 | 0 | 0 | 113.8 | L348 Y349 F351 I352 N861 V862 Q868 F869 | L348-I865 WeakPolarHBondContact O-CD1 3.41Å; Y349-I865 HydrophobicContact CD1-CD1 4.25Å; Y349-I865 HydrophobicContact CD1-CG1 4.27Å; F351-I865 HydrophobicContact CB-CD1 4.34Å; I352-I865 HydrophobicContact CB-CB 4.46Å; I352-I865 HydrophobicContact CB-CG2 3.77Å; I352-I865 HydrophobicContact CD1-CG2 4.05Å; I352-I865 HydrophobicContact CG1-CG2 3.77Å; N861-I865 WeakPolarHBondContact O-CG2 3.49Å; N861-I865 PolarHBondContact O-N 2.72Å; V862-I865 PolarHBondContact O-N 3.43Å; I865-Q868 HydrophobicContact CD1-CB 4.05Å; I865-Q868 HydrophobicContact CD1-CG 4.02Å; I865-Q868 WeakPolarHBondContact O-CA 3.24Å; I865-Q868 VanDerWaalsContact O-CB 3.24Å; I865-Q868 WeakPolarHBondContact O-CB 3.19Å; I865-Q868 PolarHBondContact O-N 3.22Å; I865-F869 PolarHBondContact O-N 3.33Å |
| 866 | T | 95.4 | Very high | 94 | Very high | 2 Ų | 2 | 16.4 Ų | 16.4 | 1% | 0.012 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -59.9 | -41 | -179.1 | -62.9 | 0 | 0 | 0 | 0 | 112.9 | V862 Q868 F869 L870 F944 A947 F948 | V862-T866 WeakPolarHBondContact O-CB 3.48Å; V862-T866 PolarHBondContact O-N 3.43Å; V862-T866 PolarHBondContact O-OG1 3.46Å; T866-Q868 VanDerWaalsContact C-N 3.27Å; T866-Q868 PolarHBondContact O-N 3.47Å; T866-F869 WeakPolarHBondContact O-CB 3.25Å; T866-F869 PolarHBondContact O-N 3.27Å; T866-L870 HydrophobicContact CG2-CD1 4.26Å; T866-L870 HydrophobicContact CG2-CG 4.39Å; T866-L870 WeakPolarHBondContact O-CG 3.49Å; T866-L870 PolarHBondContact O-N 3.29Å; T866-F944 HydrophobicContact CG2-CD1 3.87Å; T866-F944 HydrophobicContact CG2-CE1 4.39Å; T866-F944 WeakPolarHBondContact OG1-CD1 3.29Å; T866-F944 WeakPolarHBondContact OG1-CE1 3.36Å; T866-A947 VanDerWaalsContact CB-CB 3.43Å; T866-A947 HydrophobicContact CG2-CB 3.57Å; T866-F948 HydrophobicContact CG2-CE2 4.45Å |
| 867 | P | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -61.6 | -33.8 | 173.1 | -23.1 | 35.2 | 0 | 0 | 0 | 113.2 | C863 F864 L870 Y871 L882 Y883 A947 F951 V988 | C863-P867 WeakPolarHBondContact O-CD 3.46Å; C863-P867 WeakPolarHBondContact O-CG 3.31Å; F864-P867 WeakPolarHBondContact O-CD 3.44Å; P867-L870 PolarHBondContact O-N 3.01Å; P867-Y871 WeakPolarHBondContact O-CB 3.18Å; P867-Y871 PolarHBondContact O-N 3.43Å; P867-L882 HydrophobicContact CB-CD2 3.97Å; P867-Y883 WeakPolarHBondContact CB-OH 3.41Å; P867-A947 HydrophobicContact CG-CB 3.97Å; P867-F951 HydrophobicContact CB-CB 4.21Å; P867-F951 HydrophobicContact CB-CD2 4.14Å; P867-V988 HydrophobicContact CB-CG1 3.96Å; P867-V988 HydrophobicContact CG-CG1 4.32Å |
| 868 | Q | 94.1 | Very high | 93.5 | Very high | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.009 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.4 | -39.7 | 175.7 | 176.3 | 69.4 | 37.2 | 0 | 0 | 111.5 | L348 Y349 I865 T866 Q872 Q880 Y883 | L348-Q868 VanDerWaalsContact CD1-NE2 3.31Å; L348-Q868 HydrophobicContact CG-CG 4.25Å; Y349-Q868 HydrophobicContact CD1-CG 4.44Å; Y349-Q868 HydrophobicContact CE1-CG 4.41Å; I865-Q868 HydrophobicContact CD1-CB 4.05Å; I865-Q868 HydrophobicContact CD1-CG 4.02Å; I865-Q868 WeakPolarHBondContact O-CA 3.24Å; I865-Q868 VanDerWaalsContact O-CB 3.24Å; I865-Q868 WeakPolarHBondContact O-CB 3.19Å; I865-Q868 PolarHBondContact O-N 3.22Å; T866-Q868 VanDerWaalsContact C-N 3.27Å; T866-Q868 PolarHBondContact O-N 3.47Å; Q868-Q872 PolarHBondContact O-NE2 3.24Å; Q868-Q880 PolarHBondContact NE2-O 2.91Å; Q868-Y883 HydrophobicContact CB-CE2 4.33Å |
| 869 | F | 95.1 | Very high | 93.4 | Very high | 27 Ų | 27 | 20.8 Ų | 20.8 | 12% | 0.118 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.1 | -47.2 | 172 | 170.2 | -103.8 | 0 | 0 | 0 | 111.8 | E300 L303 Y349 I865 T866 Y871 Q872 F873 | E300-F869 HydrophobicContact CB-CD2 4.2Å; E300-F869 HydrophobicContact CB-CE2 4.21Å; E300-F869 HydrophobicContact CG-CD2 4.28Å; E300-F869 HydrophobicContact CG-CE2 4.27Å; L303-F869 HydrophobicContact CD2-CZ 4.2Å; Y349-F869 HydrophobicContact CE1-CB 4.06Å; Y349-F869 HydrophobicContact CE1-CD2 4.39Å; Y349-F869 HydrophobicContact CE2-CD2 4.01Å; Y349-F869 AromaticContact CZ-CD2 3.73Å; Y349-F869 WeakPolarHBondContact OH-CD2 3.37Å; I865-F869 PolarHBondContact O-N 3.33Å; T866-F869 WeakPolarHBondContact O-CB 3.25Å; T866-F869 PolarHBondContact O-N 3.27Å; F869-Y871 VanDerWaalsContact C-N 3.26Å; F869-Y871 PolarHBondContact O-N 3.01Å; F869-Q872 WeakPolarHBondContact O-CB 3.46Å; F869-Q872 PolarHBondContact O-N 3.09Å; F869-Q872 VanDerWaalsContact O-N 3.08Å; F869-F873 HydrophobicContact CD1-CE2 4.18Å; F869-F873 AromaticContact CE1-CE2 3.61Å; F869-F873 HydrophobicContact CE1-CE2 3.61Å; F869-F873 HydrophobicContact CE1-CZ 4.15Å; F869-F873 HydrophobicContact CE2-CE2 4.24Å; F869-F873 AromaticContact CZ-CE2 3.63Å; F869-F873 HydrophobicContact CZ-CE2 3.63Å; F869-F873 AromaticContact CZ-CZ 3.87Å; F869-F873 HydrophobicContact CZ-CZ 3.87Å |
| 870 | L | 94.8 | Very high | 93.2 | Very high | 11 Ų | 11 | 24 Ų | 24 | 6% | 0.058 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.2 | -38.6 | 177.4 | -69.3 | 176 | 0 | 0 | 0 | 111.9 | T866 P867 Q872 F873 F874 F948 F951 F952 | T866-L870 HydrophobicContact CG2-CD1 4.26Å; T866-L870 HydrophobicContact CG2-CG 4.39Å; T866-L870 WeakPolarHBondContact O-CG 3.49Å; T866-L870 PolarHBondContact O-N 3.29Å; P867-L870 PolarHBondContact O-N 3.01Å; L870-Q872 PolarHBondContact O-N 2.99Å; L870-F873 WeakPolarHBondContact O-CB 3.46Å; L870-F873 PolarHBondContact O-N 2.91Å; L870-F874 VanDerWaalsContact O-CD2 3.31Å; L870-F874 WeakPolarHBondContact O-CD2 3.45Å; L870-F948 HydrophobicContact CD1-CD1 3.95Å; L870-F948 HydrophobicContact CD1-CE1 4.04Å; L870-F948 HydrophobicContact CD1-CG 4.34Å; L870-F948 HydrophobicContact CD2-CD1 4.47Å; L870-F948 HydrophobicContact CD2-CE1 3.75Å; L870-F948 HydrophobicContact CD2-CZ 4.02Å; L870-F951 HydrophobicContact CB-CD1 4.03Å; L870-F951 HydrophobicContact CB-CD2 4.11Å; L870-F951 HydrophobicContact CB-CE1 4.26Å; L870-F951 HydrophobicContact CB-CE2 4.3Å; L870-F951 HydrophobicContact CB-CG 3.97Å; L870-F951 HydrophobicContact CB-CZ 4.39Å; L870-F951 HydrophobicContact CD1-CB 3.86Å; L870-F951 HydrophobicContact CD1-CD1 4.17Å; L870-F951 HydrophobicContact CD1-CG 4.02Å; L870-F952 HydrophobicContact CD1-CE2 4.06Å; L870-F952 HydrophobicContact CD2-CE2 4.45Å |
| 871 | Y | 94.4 | Very high | 93 | Very high | 29 Ų | 29 | 24.7 Ų | 24.7 | 11% | 0.114 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.8 | -28 | 177.7 | -169.8 | -125.6 | 0 | 0 | 0 | 113.4 | P867 F869 F873 F874 C875 Q880 L882 F951 F984 | P867-Y871 WeakPolarHBondContact O-CB 3.18Å; P867-Y871 PolarHBondContact O-N 3.43Å; F869-Y871 VanDerWaalsContact C-N 3.26Å; F869-Y871 PolarHBondContact O-N 3.01Å; Y871-F873 VanDerWaalsContact C-N 3.26Å; Y871-F873 PolarHBondContact O-N 3.35Å; Y871-F874 PolarHBondContact O-N 3.42Å; Y871-C875 WeakPolarHBondContact CE1-SG 3.44Å; Y871-C875 PolarHBondContact O-N 3.42Å; Y871-C875 VanDerWaalsContact O-N 3.14Å; Y871-C875 PolarHBondContact O-SG 3.4Å; Y871-C875 VanDerWaalsContact O-SG 3.37Å; Y871-Q880 HydrophobicContact CE1-CB 4.44Å; Y871-Q880 HydrophobicContact CE1-CG 3.93Å; Y871-L882 HydrophobicContact CD1-CB 3.78Å; Y871-L882 HydrophobicContact CD1-CD1 4.03Å; Y871-L882 HydrophobicContact CD1-CG 4.46Å; Y871-L882 HydrophobicContact CD2-CD1 3.94Å; Y871-L882 HydrophobicContact CE1-CB 4.35Å; Y871-L882 HydrophobicContact CE1-CD1 4.21Å; Y871-L882 HydrophobicContact CE2-CD1 4.18Å; Y871-L882 HydrophobicContact CG-CB 4.14Å; Y871-L882 HydrophobicContact CG-CD1 3.88Å; Y871-L882 HydrophobicContact CG-CG 4.44Å; Y871-F951 HydrophobicContact CD2-CE2 4.02Å; Y871-F951 HydrophobicContact CD2-CZ 4.32Å; Y871-F951 HydrophobicContact CG-CE2 4.4Å; Y871-F984 HydrophobicContact CD2-CE1 4.16Å; Y871-F984 HydrophobicContact CE2-CD1 4.35Å; Y871-F984 HydrophobicContact CE2-CE1 4.32Å |
| 872 | Q | 94.6 | Very high | 93 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.5 | -28.8 | 179 | -60.3 | -44.7 | -60.8 | 0 | 0 | 113.1 | F345 L348 Y349 Q868 F869 L870 F874 C875 L876 F877 Q879 Q880 | F345-Q872 HydrophobicContact CE1-CG 4.41Å; L348-Q872 HydrophobicContact CD2-CG 4.35Å; Y349-Q872 HydrophobicContact CE1-CG 4.28Å; Y349-Q872 WeakPolarHBondContact OH-CG 3.31Å; Q868-Q872 PolarHBondContact O-NE2 3.24Å; F869-Q872 WeakPolarHBondContact O-CB 3.46Å; F869-Q872 PolarHBondContact O-N 3.09Å; F869-Q872 VanDerWaalsContact O-N 3.08Å; L870-Q872 PolarHBondContact O-N 2.99Å; Q872-F874 PolarHBondContact O-N 2.91Å; Q872-C875 PolarHBondContact O-N 3.33Å; Q872-L876 PolarHBondContact O-N 3.33Å; Q872-F877 HydrophobicContact CB-CD1 3.76Å; Q872-F877 HydrophobicContact CB-CE1 3.95Å; Q872-F877 PolarHBondContact O-N 3.49Å; Q872-Q879 VanDerWaalsContact OE1-CA 3.25Å; Q872-Q880 PolarHBondContact NE2-O 3.25Å |
| 873 | F | 93.3 | Very high | 92.8 | Very high | 88 Ų | 88 | 24.9 Ų | 24.9 | 39% | 0.386 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -63.2 | -33.2 | 173.3 | -69.3 | -91.4 | 0 | 0 | 0 | 112 | L307 F869 L870 Y871 F877 | L307-F873 HydrophobicContact CD1-CE1 3.87Å; L307-F873 HydrophobicContact CD1-CZ 4.25Å; F869-F873 HydrophobicContact CD1-CE2 4.18Å; F869-F873 AromaticContact CE1-CE2 3.61Å; F869-F873 HydrophobicContact CE1-CE2 3.61Å; F869-F873 HydrophobicContact CE1-CZ 4.15Å; F869-F873 HydrophobicContact CE2-CE2 4.24Å; F869-F873 AromaticContact CZ-CE2 3.63Å; F869-F873 HydrophobicContact CZ-CE2 3.63Å; F869-F873 AromaticContact CZ-CZ 3.87Å; F869-F873 HydrophobicContact CZ-CZ 3.87Å; L870-F873 WeakPolarHBondContact O-CB 3.46Å; L870-F873 PolarHBondContact O-N 2.91Å; Y871-F873 VanDerWaalsContact C-N 3.26Å; Y871-F873 PolarHBondContact O-N 3.35Å; F873-F877 HydrophobicContact CD1-CE2 4.24Å; F873-F877 AromaticContact CD1-CZ 3.66Å; F873-F877 HydrophobicContact CD1-CZ 3.66Å; F873-F877 HydrophobicContact CD2-CZ 4.37Å; F873-F877 AromaticContact CE1-CZ 3.77Å; F873-F877 HydrophobicContact CE1-CZ 3.77Å; F873-F877 HydrophobicContact CE2-CZ 4.47Å; F873-F877 AromaticContact CG-CZ 3.98Å; F873-F877 HydrophobicContact CG-CZ 3.98Å; F873-F877 HydrophobicContact CZ-CZ 4.19Å |
| 874 | F | 90.4 | Very high | 92.5 | Very high | 92 Ų | 92 | 25.5 Ų | 25.5 | 40% | 0.404 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -86.3 | -17 | 180 | -61.7 | -89.6 | 0 | 0 | 0 | 113 | L870 Y871 Q872 F951 F952 Y955 | L870-F874 VanDerWaalsContact O-CD2 3.31Å; L870-F874 WeakPolarHBondContact O-CD2 3.45Å; Y871-F874 PolarHBondContact O-N 3.42Å; Q872-F874 PolarHBondContact O-N 2.91Å; F874-F951 AromaticContact CD2-CE1 3.77Å; F874-F951 HydrophobicContact CD2-CE1 3.77Å; F874-F951 AromaticContact CD2-CZ 3.46Å; F874-F951 HydrophobicContact CD2-CZ 3.46Å; F874-F951 VanDerWaalsContact CD2-CZ 3.46Å; F874-F951 HydrophobicContact CE2-CD1 4.41Å; F874-F951 AromaticContact CE2-CE1 3.22Å; F874-F951 HydrophobicContact CE2-CE1 3.22Å; F874-F951 AromaticContact CE2-CZ 3.46Å; F874-F951 HydrophobicContact CE2-CZ 3.46Å; F874-F951 VanDerWaalsContact CE2-CZ 3.46Å; F874-F951 HydrophobicContact CG-CZ 4.37Å; F874-F951 AromaticContact CZ-CE1 3.84Å; F874-F951 HydrophobicContact CZ-CE1 3.84Å; F874-F951 HydrophobicContact CZ-CZ 4.33Å; F874-F952 HydrophobicContact CZ-CE1 4.18Å; F874-Y955 AromaticContact CD1-CE2 3.92Å; F874-Y955 HydrophobicContact CD1-CE2 3.92Å; F874-Y955 HydrophobicContact CE1-CD2 4.28Å; F874-Y955 HydrophobicContact CE1-CE1 4.43Å; F874-Y955 AromaticContact CE1-CE2 3.66Å; F874-Y955 HydrophobicContact CE1-CE2 3.66Å; F874-Y955 AromaticContact CE1-CZ 3.76Å; F874-Y955 HydrophobicContact CZ-CE2 4.41Å |
| 875 | C | 89.1 | Confident | 92.1 | Very high | 24 Ų | 24 | 27.6 Ų | 27.6 | 16% | 0.162 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 14.4 | 178.2 | -58.4 | 0 | 0 | 0 | 0 | 112.9 | Y871 Q872 F877 S878 Q880 | Y871-C875 WeakPolarHBondContact CE1-SG 3.44Å; Y871-C875 PolarHBondContact O-N 3.42Å; Y871-C875 VanDerWaalsContact O-N 3.14Å; Y871-C875 PolarHBondContact O-SG 3.4Å; Y871-C875 VanDerWaalsContact O-SG 3.37Å; Q872-C875 PolarHBondContact O-N 3.33Å; C875-F877 PolarHBondContact O-N 2.89Å; C875-F877 VanDerWaalsContact O-N 3.13Å; C875-S878 WeakPolarHBondContact CB-OG 3.45Å; C875-S878 WeakPolarHBondContact O-CB 3.38Å; C875-S878 PolarHBondContact O-N 3.46Å; C875-S878 VanDerWaalsContact O-N 3.12Å; C875-S878 PolarHBondContact O-OG 3.08Å; C875-Q880 HydrophobicContact CB-CB 4.37Å |
| 876 | L | 89.7 | Confident | 91.7 | Very high | 64 Ų | 64 | 28.9 Ų | 28.9 | 34% | 0.335 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 37 | -176.8 | -58.9 | 173.3 | 0 | 0 | 0 | 112.7 | W311 W317 Q872 S878 | W311-L876 HydrophobicContact CD2-CD2 4.04Å; W311-L876 HydrophobicContact CE3-CD2 4.03Å; W311-L876 HydrophobicContact CZ3-CD2 4.29Å; W317-L876 HydrophobicContact CE3-CD1 3.75Å; W317-L876 HydrophobicContact CZ3-CD1 3.99Å; Q872-L876 PolarHBondContact O-N 3.33Å; L876-S878 VanDerWaalsContact C-N 3.26Å; L876-S878 PolarHBondContact O-N 3.5Å |
| 877 | F | 91.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 29 Ų | 29 | 0% | 0.004 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 34.2 | 178.8 | -58.9 | -84.5 | 0 | 0 | 0 | 114.3 | L307 K308 F345 Q872 F873 C875 Q879 | L307-F877 HydrophobicContact CB-CD1 4.46Å; L307-F877 HydrophobicContact CB-CD2 3.92Å; L307-F877 HydrophobicContact CB-CE1 4.1Å; L307-F877 HydrophobicContact CB-CE2 3.52Å; L307-F877 HydrophobicContact CB-CG 4.39Å; L307-F877 HydrophobicContact CB-CZ 3.62Å; L307-F877 HydrophobicContact CD1-CE1 4.06Å; L307-F877 HydrophobicContact CD1-CE2 4.06Å; L307-F877 HydrophobicContact CD1-CZ 3.44Å; L307-F877 VanDerWaalsContact CD1-CZ 3.44Å; L307-F877 HydrophobicContact CG-CE2 4.4Å; L307-F877 HydrophobicContact CG-CZ 4.17Å; K308-F877 HydrophobicContact CB-CB 3.67Å; K308-F877 HydrophobicContact CB-CG 4.48Å; K308-F877 WeakPolarHBondContact CD-O 3.23Å; K308-F877 HydrophobicContact CG-CB 4.1Å; F345-F877 HydrophobicContact CZ-CB 3.9Å; F345-F877 HydrophobicContact CZ-CD1 4.37Å; F345-F877 WeakPolarHBondContact CZ-O 3.25Å; Q872-F877 HydrophobicContact CB-CD1 3.76Å; Q872-F877 HydrophobicContact CB-CE1 3.95Å; Q872-F877 PolarHBondContact O-N 3.49Å; F873-F877 HydrophobicContact CD1-CE2 4.24Å; F873-F877 AromaticContact CD1-CZ 3.66Å; F873-F877 HydrophobicContact CD1-CZ 3.66Å; F873-F877 HydrophobicContact CD2-CZ 4.37Å; F873-F877 AromaticContact CE1-CZ 3.77Å; F873-F877 HydrophobicContact CE1-CZ 3.77Å; F873-F877 HydrophobicContact CE2-CZ 4.47Å; F873-F877 AromaticContact CG-CZ 3.98Å; F873-F877 HydrophobicContact CG-CZ 3.98Å; F873-F877 HydrophobicContact CZ-CZ 4.19Å; C875-F877 PolarHBondContact O-N 2.89Å; C875-F877 VanDerWaalsContact O-N 3.13Å; F877-Q879 PolarHBondContact O-N 3.4Å |
| 878 | S | 88.4 | Confident | 91 | Very high | 67 Ų | 67 | 29.3 Ų | 29.3 | 47% | 0.469 | 15% | 0.153 | S | C | . | . | trans | -74.6 | 3.1 | 173 | 54.7 | 0 | 0 | 0 | 0 | 115 | C875 L876 Q880 | C875-S878 WeakPolarHBondContact CB-OG 3.45Å; C875-S878 WeakPolarHBondContact O-CB 3.38Å; C875-S878 PolarHBondContact O-N 3.46Å; C875-S878 VanDerWaalsContact O-N 3.12Å; C875-S878 PolarHBondContact O-OG 3.08Å; L876-S878 VanDerWaalsContact C-N 3.26Å; L876-S878 PolarHBondContact O-N 3.5Å; S878-Q880 PolarHBondContact O-N 3.33Å | ||
| 879 | Q | 90.4 | Very high | 90.5 | Very high | 26 Ų | 26 | 30.2 Ų | 30.2 | 12% | 0.121 | 16% | 0.159 | C | C | . | . | trans | 66.1 | 16.1 | -179 | -52.8 | 119.6 | -23.2 | 0 | 0 | 114.7 | P84 K308 D341 A344 F345 L348 Q872 F877 T881 | P84-Q879 WeakPolarHBondContact CB-O 3.37Å; P84-Q879 HydrophobicContact CG-CB 4.37Å; K308-Q879 VanDerWaalsContact NZ-OE1 3.16Å; D341-Q879 PolarHBondContact OD1-NE2 3.07Å; A344-Q879 HydrophobicContact CB-CG 4.49Å; F345-Q879 HydrophobicContact CD1-CG 3.9Å; F345-Q879 HydrophobicContact CD2-CG 4.41Å; F345-Q879 HydrophobicContact CE1-CB 4.36Å; F345-Q879 HydrophobicContact CE1-CG 3.44Å; F345-Q879 VanDerWaalsContact CE1-CG 3.44Å; F345-Q879 HydrophobicContact CE2-CG 4.01Å; F345-Q879 HydrophobicContact CG-CG 4.35Å; F345-Q879 HydrophobicContact CZ-CG 3.49Å; F345-Q879 VanDerWaalsContact CZ-CG 3.49Å; L348-Q879 HydrophobicContact CD2-CB 4.48Å; Q872-Q879 VanDerWaalsContact OE1-CA 3.25Å; F877-Q879 PolarHBondContact O-N 3.4Å; Q879-T881 PolarHBondContact O-N 2.74Å | ||
| 880 | Q | 91.5 | Very high | 90.2 | Very high | 66 Ų | 66 | 30.5 Ų | 30.5 | 31% | 0.308 | 16% | 0.162 | S | C | . | . | trans | -59.4 | 132.8 | 176.7 | 177.1 | 57.8 | 38.5 | 0 | 0 | 111.5 | Q868 Y871 Q872 C875 S878 | Q868-Q880 PolarHBondContact NE2-O 2.91Å; Y871-Q880 HydrophobicContact CE1-CB 4.44Å; Y871-Q880 HydrophobicContact CE1-CG 3.93Å; Q872-Q880 PolarHBondContact NE2-O 3.25Å; C875-Q880 HydrophobicContact CB-CB 4.37Å; S878-Q880 PolarHBondContact O-N 3.33Å | ||
| 881 | T | 91.8 | Very high | 89.9 | Confident | 16 Ų | 16 | 30 Ų | 30 | 10% | 0.098 | 16% | 0.159 | C | C | . | . | trans | -74.6 | 135.1 | 175.2 | 51.1 | 0 | 0 | 0 | 0 | 110.8 | P84 T85 L348 Q879 | P84-T881 HydrophobicContact CB-CG2 4.35Å; T85-T881 HydrophobicContact CG2-CG2 3.87Å; L348-T881 HydrophobicContact CD1-CG2 3.66Å; Q879-T881 PolarHBondContact O-N 2.74Å | ||
| 882 | L | 93.1 | Very high | 89.3 | Confident | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -78.8 | -38.5 | 171.7 | 179.5 | 62.4 | 0 | 0 | 0 | 110.3 | P867 Y871 F984 G985 V988 | P867-L882 HydrophobicContact CB-CD2 3.97Å; Y871-L882 HydrophobicContact CD1-CB 3.78Å; Y871-L882 HydrophobicContact CD1-CD1 4.03Å; Y871-L882 HydrophobicContact CD1-CG 4.46Å; Y871-L882 HydrophobicContact CD2-CD1 3.94Å; Y871-L882 HydrophobicContact CE1-CB 4.35Å; Y871-L882 HydrophobicContact CE1-CD1 4.21Å; Y871-L882 HydrophobicContact CE2-CD1 4.18Å; Y871-L882 HydrophobicContact CG-CB 4.14Å; Y871-L882 HydrophobicContact CG-CD1 3.88Å; Y871-L882 HydrophobicContact CG-CG 4.44Å; L882-F984 HydrophobicContact CD1-CD1 3.51Å; L882-F984 HydrophobicContact CD1-CE1 3.63Å; L882-G985 WeakPolarHBondContact O-CA 3.26Å; L882-V988 HydrophobicContact CD2-CG1 4.33Å |
| 883 | Y | 91.3 | Very high | 88.8 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -106.7 | 148.2 | -178.6 | -46.5 | -61 | 0 | 0 | 0 | 111.6 | F864 P867 Q868 L888 V988 F989 | F864-Y883 HydrophobicContact CD2-CD2 4.21Å; F864-Y883 AromaticContact CD2-CE2 3.71Å; F864-Y883 HydrophobicContact CD2-CE2 3.71Å; F864-Y883 AromaticContact CE2-CD2 3.53Å; F864-Y883 HydrophobicContact CE2-CD2 3.53Å; F864-Y883 AromaticContact CE2-CE2 3.52Å; F864-Y883 HydrophobicContact CE2-CE2 3.52Å; F864-Y883 HydrophobicContact CE2-CG 4.26Å; F864-Y883 HydrophobicContact CZ-CD2 4.18Å; F864-Y883 HydrophobicContact CZ-CE2 4.43Å; F864-Y883 VanDerWaalsContact O-CE2 3.29Å; F864-Y883 WeakPolarHBondContact O-CE2 3.33Å; F864-Y883 PolarHBondContact O-OH 3.48Å; P867-Y883 WeakPolarHBondContact CB-OH 3.41Å; Q868-Y883 HydrophobicContact CB-CE2 4.33Å; Y883-L888 HydrophobicContact CD2-CD2 3.82Å; Y883-L888 HydrophobicContact CG-CD2 4.34Å; Y883-V988 HydrophobicContact CE1-CG1 4.22Å; Y883-F989 HydrophobicContact CD1-CB 3.96Å; Y883-F989 AromaticContact CD1-CD2 3.71Å; Y883-F989 HydrophobicContact CD1-CD2 3.71Å; Y883-F989 HydrophobicContact CD1-CG 4.29Å; Y883-F989 HydrophobicContact CE1-CB 3.93Å; Y883-F989 AromaticContact CE1-CD2 3.91Å; Y883-F989 HydrophobicContact CE1-CD2 3.91Å; Y883-F989 HydrophobicContact CE1-CG 4.44Å; Y883-F989 HydrophobicContact CG-CD2 4.13Å |
| 884 | D | 89.6 | Confident | 88.5 | Confident | 13 Ų | 13 | 28.8 Ų | 28.8 | 7% | 0.07 | 16% | 0.161 | C | C | . | . | trans | -67.1 | 149.7 | 171.7 | 172.7 | 49.7 | 0 | 0 | 0 | 111.7 | V886 Y887 L888 W982 Y1029 M1042 | D884-V886 PolarHBondContact O-N 3.23Å; D884-V886 WeakPolarHBondContact OD2-CB 3.35Å; D884-V886 PolarHBondContact OD2-N 3.2Å; D884-V886 VanDerWaalsContact OD2-N 3.16Å; D884-Y887 WeakPolarHBondContact O-CB 3.44Å; D884-Y887 PolarHBondContact O-N 2.7Å; D884-L888 WeakPolarHBondContact O-CG 3.39Å; D884-L888 PolarHBondContact O-N 2.7Å; D884-W982 HydrophobicContact CB-CE3 4.45Å; D884-W982 HydrophobicContact CB-CZ3 4.11Å; D884-Y1029 VanDerWaalsContact OD2-CE1 3.26Å; D884-Y1029 WeakPolarHBondContact OD2-CE1 3.3Å; D884-Y1029 PolarHBondContact OD2-OH 2.88Å; D884-M1042 HydrophobicContact CB-CE 3.31Å; D884-M1042 HydrophobicContact CB-CG 3.96Å; D884-M1042 HydrophobicContact CB-SD 4.48Å | ||
| 885 | S | 85.3 | Confident | 88.5 | Confident | 45 Ų | 45 | 24.4 Ų | 24.4 | 32% | 0.315 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -50.6 | -37.1 | 178.1 | 63.1 | 0 | 0 | 0 | 0 | 114 | L888 T889 | S885-L888 PolarHBondContact O-N 3.24Å; S885-T889 WeakPolarHBondContact O-CG2 3.49Å; S885-T889 PolarHBondContact O-N 3.48Å; S885-T889 PolarHBondContact O-OG1 3.33Å |
| 886 | V | 86.9 | Confident | 88.6 | Confident | 30 Ų | 30 | 23.2 Ų | 23.2 | 18% | 0.182 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -72.4 | -38 | 178 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | D884 T889 L890 F1025 Y1029 | D884-V886 PolarHBondContact O-N 3.23Å; D884-V886 WeakPolarHBondContact OD2-CB 3.35Å; D884-V886 PolarHBondContact OD2-N 3.2Å; D884-V886 VanDerWaalsContact OD2-N 3.16Å; V886-T889 PolarHBondContact O-N 3.3Å; V886-T889 PolarHBondContact O-OG1 2.94Å; V886-L890 HydrophobicContact CG1-CD1 3.64Å; V886-L890 HydrophobicContact CG1-CG 4.21Å; V886-L890 WeakPolarHBondContact O-CB 3.36Å; V886-L890 WeakPolarHBondContact O-CG 3.47Å; V886-L890 PolarHBondContact O-N 3.12Å; V886-F1025 HydrophobicContact CG1-CE1 3.79Å; V886-F1025 HydrophobicContact CG1-CZ 3.62Å; V886-Y1029 HydrophobicContact CB-CE1 4.13Å; V886-Y1029 HydrophobicContact CB-CE2 4.37Å; V886-Y1029 HydrophobicContact CG1-CE2 4.48Å; V886-Y1029 HydrophobicContact CG2-CE1 4.35Å; V886-Y1029 HydrophobicContact CG2-CE2 3.87Å; V886-Y1029 VanDerWaalsContact CG2-OH 3.24Å; V886-Y1029 WeakPolarHBondContact CG2-OH 3.3Å |
| 887 | Y | 88.8 | Confident | 88.5 | Confident | 3 Ų | 3 | 20.8 Ų | 20.8 | 1% | 0.012 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.7 | -37.6 | 173.7 | -67.1 | -14.6 | 0 | 0 | 0 | 112 | D884 T889 Y891 F895 T986 F989 F1025 S1026 Y1029 M1042 | D884-Y887 WeakPolarHBondContact O-CB 3.44Å; D884-Y887 PolarHBondContact O-N 2.7Å; Y887-T889 VanDerWaalsContact C-N 3.31Å; Y887-T889 PolarHBondContact O-N 2.72Å; Y887-Y891 VanDerWaalsContact O-CB 3.29Å; Y887-Y891 WeakPolarHBondContact O-CB 3.49Å; Y887-Y891 PolarHBondContact O-N 2.86Å; Y887-F895 HydrophobicContact CD1-CE2 4.26Å; Y887-T986 HydrophobicContact CE2-CG2 4.37Å; Y887-F989 HydrophobicContact CD2-CD1 4.27Å; Y887-F989 HydrophobicContact CD2-CE1 4.48Å; Y887-F989 HydrophobicContact CD2-CG 4.36Å; Y887-F989 HydrophobicContact CG-CD1 4.41Å; Y887-F989 HydrophobicContact CG-CE1 4.17Å; Y887-F989 HydrophobicContact CG-CZ 4.25Å; Y887-F1025 HydrophobicContact CE1-CD1 4.49Å; Y887-F1025 HydrophobicContact CE1-CE1 4.33Å; Y887-S1026 WeakPolarHBondContact OH-CB 3.35Å; Y887-S1026 PolarHBondContact OH-OG 2.77Å; Y887-Y1029 HydrophobicContact CE1-CD1 4.37Å; Y887-M1042 HydrophobicContact CD2-CE 4Å; Y887-M1042 HydrophobicContact CE2-CE 3.67Å |
| 888 | L | 86.6 | Confident | 88.5 | Confident | 7 Ų | 7 | 25.1 Ų | 25.1 | 4% | 0.037 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.9 | -42.9 | 174.7 | -66.2 | 176.5 | 0 | 0 | 0 | 112.3 | T85 F351 F864 Y883 D884 S885 | T85-L888 HydrophobicContact CG2-CD1 3.77Å; F351-L888 HydrophobicContact CD2-CD2 4.36Å; F351-L888 HydrophobicContact CE2-CB 4.2Å; F351-L888 HydrophobicContact CE2-CD1 4.09Å; F351-L888 HydrophobicContact CE2-CD2 4.29Å; F351-L888 HydrophobicContact CE2-CG 4.43Å; F351-L888 HydrophobicContact CZ-CB 4.02Å; F864-L888 HydrophobicContact CE1-CD2 4.29Å; F864-L888 HydrophobicContact CE2-CD2 4.18Å; F864-L888 HydrophobicContact CZ-CD2 3.48Å; F864-L888 VanDerWaalsContact CZ-CD2 3.48Å; Y883-L888 HydrophobicContact CD2-CD2 3.82Å; Y883-L888 HydrophobicContact CG-CD2 4.34Å; D884-L888 WeakPolarHBondContact O-CG 3.39Å; D884-L888 PolarHBondContact O-N 2.7Å; S885-L888 PolarHBondContact O-N 3.24Å |
| 889 | T | 84.6 | Confident | 88.7 | Confident | 21 Ų | 21 | 22 Ų | 22 | 13% | 0.129 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -74.7 | -46.7 | -179.8 | 49.6 | 0 | 0 | 0 | 0 | 113.2 | T89 S885 V886 Y887 | T89-T889 VanDerWaalsContact CA-CG2 3.41Å; T89-T889 HydrophobicContact CG2-CG2 3.79Å; S885-T889 WeakPolarHBondContact O-CG2 3.49Å; S885-T889 PolarHBondContact O-N 3.48Å; S885-T889 PolarHBondContact O-OG1 3.33Å; V886-T889 PolarHBondContact O-N 3.3Å; V886-T889 PolarHBondContact O-OG1 2.94Å; Y887-T889 VanDerWaalsContact C-N 3.31Å; Y887-T889 PolarHBondContact O-N 2.72Å |
| 890 | L | 87.6 | Confident | 88.9 | Confident | 34 Ų | 34 | 20.8 Ų | 20.8 | 18% | 0.178 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -78.9 | -21.4 | -171.9 | -65.3 | -178.9 | 0 | 0 | 0 | 113.8 | V886 N892 I893 C894 F895 F1025 | V886-L890 HydrophobicContact CG1-CD1 3.64Å; V886-L890 HydrophobicContact CG1-CG 4.21Å; V886-L890 WeakPolarHBondContact O-CB 3.36Å; V886-L890 WeakPolarHBondContact O-CG 3.47Å; V886-L890 PolarHBondContact O-N 3.12Å; L890-N892 PolarHBondContact O-N 3.44Å; L890-I893 PolarHBondContact O-N 3.3Å; L890-C894 HydrophobicContact CB-CB 4.46Å; L890-C894 HydrophobicContact CD2-CB 4.36Å; L890-C894 WeakPolarHBondContact O-CA 3.43Å; L890-C894 PolarHBondContact O-N 3.33Å; L890-F895 HydrophobicContact CB-CD2 4.07Å; L890-F895 HydrophobicContact CB-CE1 4.42Å; L890-F895 HydrophobicContact CB-CE2 3.6Å; L890-F895 HydrophobicContact CB-CZ 3.79Å; L890-F895 HydrophobicContact CD1-CZ 3.96Å; L890-F895 PolarHBondContact O-N 3.35Å; L890-F1025 HydrophobicContact CD1-CD1 4.19Å; L890-F1025 HydrophobicContact CD1-CD2 4.36Å; L890-F1025 HydrophobicContact CD1-CE1 3.47Å; L890-F1025 VanDerWaalsContact CD1-CE1 3.47Å; L890-F1025 HydrophobicContact CD1-CE2 3.67Å; L890-F1025 HydrophobicContact CD1-CZ 3.17Å |
| 891 | Y | 89.1 | Confident | 89 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | I | π-helix | trans | -53.6 | -50.4 | 179.4 | 176.8 | -108.2 | 0 | 0 | 0 | 112.7 | K860 F864 Y887 T896 F989 M992 V993 | K860-Y891 PolarHBondContact O-OH 3.34Å; F864-Y891 HydrophobicContact CB-CD1 4.18Å; F864-Y891 HydrophobicContact CB-CE1 3.54Å; F864-Y891 AromaticContact CD1-CD1 3.65Å; F864-Y891 HydrophobicContact CD1-CD1 3.65Å; F864-Y891 AromaticContact CD1-CE1 3.85Å; F864-Y891 HydrophobicContact CD1-CE1 3.85Å; F864-Y891 HydrophobicContact CD2-CD1 4.05Å; F864-Y891 HydrophobicContact CD2-CE1 4.17Å; F864-Y891 HydrophobicContact CD2-CG 4.28Å; F864-Y891 AromaticContact CE1-CD1 3.94Å; F864-Y891 HydrophobicContact CE1-CD1 3.94Å; F864-Y891 HydrophobicContact CE2-CD1 4.31Å; F864-Y891 HydrophobicContact CE2-CG 4.29Å; F864-Y891 AromaticContact CG-CD1 3.69Å; F864-Y891 HydrophobicContact CG-CD1 3.69Å; F864-Y891 AromaticContact CG-CE1 3.59Å; F864-Y891 HydrophobicContact CG-CE1 3.59Å; F864-Y891 HydrophobicContact CG-CG 4.38Å; F864-Y891 HydrophobicContact CZ-CD1 4.23Å; F864-Y891 HydrophobicContact CZ-CG 4.4Å; Y887-Y891 VanDerWaalsContact O-CB 3.29Å; Y887-Y891 WeakPolarHBondContact O-CB 3.49Å; Y887-Y891 PolarHBondContact O-N 2.86Å; Y891-T896 HydrophobicContact CD2-CG2 3.92Å; Y891-T896 HydrophobicContact CE2-CG2 3.49Å; Y891-T896 VanDerWaalsContact CE2-CG2 3.49Å; Y891-T896 PolarHBondContact O-N 3.27Å; Y891-T896 PolarHBondContact O-OG1 3.33Å; Y891-F989 HydrophobicContact CD2-CE2 4.1Å; Y891-F989 AromaticContact CD2-CZ 3.94Å; Y891-F989 HydrophobicContact CD2-CZ 3.94Å; Y891-F989 HydrophobicContact CG-CE2 4.37Å; Y891-F989 HydrophobicContact CG-CZ 4.38Å; Y891-M992 HydrophobicContact CD2-CE 3.8Å; Y891-M992 HydrophobicContact CE2-CE 3.54Å; Y891-M992 HydrophobicContact CE2-SD 4.22Å; Y891-V993 HydrophobicContact CD2-CG2 4.22Å; Y891-V993 HydrophobicContact CE2-CG2 4.29Å |
| 892 | N | 83 | Confident | 89.2 | Confident | 10 Ų | 10 | 19 Ų | 19 | 5% | 0.053 | 11% | 0.11 | C | C | . | . | I | π-helix | trans | -87.3 | -18.9 | -174.3 | -87.1 | -34.3 | 0 | 0 | 0 | 114.3 | S356 K860 N861 L890 | S356-N892 WeakPolarHBondContact CB-O 3.43Å; S356-N892 PolarHBondContact OG-O 3.02Å; K860-N892 PolarHBondContact NZ-OD1 3.44Å; N861-N892 PolarHBondContact ND2-OD1 3.37Å; N861-N892 PolarHBondContact OD1-ND2 2.97Å; N861-N892 PolarHBondContact OD1-OD1 3.26Å; N861-N892 VanDerWaalsContact OD1-OD1 3.11Å; L890-N892 PolarHBondContact O-N 3.44Å |
| 893 | I | 83.4 | Confident | 89.3 | Confident | 40 Ų | 40 | 19.4 Ų | 19.4 | 21% | 0.205 | 11% | 0.111 | C | C | . | . | I | π-helix | trans | -99.1 | -39.8 | -177.6 | -61.8 | 177.8 | 0 | 0 | 0 | 112.1 | L92 P93 L890 S897 | L92-I893 HydrophobicContact CD2-CD1 4.31Å; P93-I893 HydrophobicContact CB-CD1 3.87Å; P93-I893 HydrophobicContact CG-CD1 3.8Å; L890-I893 PolarHBondContact O-N 3.3Å; I893-S897 VanDerWaalsContact C-OG 3.26Å; I893-S897 WeakPolarHBondContact O-CB 3.28Å; I893-S897 PolarHBondContact O-OG 3.23Å |
| 894 | C | 85.9 | Confident | 89.4 | Confident | 41 Ų | 41 | 19.3 Ų | 19.3 | 28% | 0.277 | 11% | 0.111 | S | C | . | . | I | π-helix | trans | -118 | -58.2 | -170.5 | -64.6 | 0 | 0 | 0 | 0 | 112.5 | L890 T896 F1021 | L890-C894 HydrophobicContact CB-CB 4.46Å; L890-C894 HydrophobicContact CD2-CB 4.36Å; L890-C894 WeakPolarHBondContact O-CA 3.43Å; L890-C894 PolarHBondContact O-N 3.33Å; C894-T896 PolarHBondContact O-N 3.47Å; C894-F1021 HydrophobicContact CB-CE1 4.14Å |
| 895 | F | 90.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | I | π-helix | trans | -67.3 | -33 | -166.5 | -60 | -37.9 | 0 | 0 | 0 | 114 | Y887 L890 F989 S1018 F1021 Y1022 F1025 | Y887-F895 HydrophobicContact CD1-CE2 4.26Å; L890-F895 HydrophobicContact CB-CD2 4.07Å; L890-F895 HydrophobicContact CB-CE1 4.42Å; L890-F895 HydrophobicContact CB-CE2 3.6Å; L890-F895 HydrophobicContact CB-CZ 3.79Å; L890-F895 HydrophobicContact CD1-CZ 3.96Å; L890-F895 PolarHBondContact O-N 3.35Å; F895-F989 HydrophobicContact CD2-CE1 4.03Å; F895-F989 AromaticContact CD2-CZ 3.97Å; F895-F989 HydrophobicContact CD2-CZ 3.97Å; F895-F989 HydrophobicContact CE2-CE1 4.11Å; F895-F989 HydrophobicContact CE2-CZ 4.19Å; F895-S1018 WeakPolarHBondContact O-CB 3.49Å; F895-F1021 AromaticContact CD1-CD1 3.83Å; F895-F1021 HydrophobicContact CD1-CD1 3.83Å; F895-F1021 AromaticContact CD1-CE1 3.89Å; F895-F1021 HydrophobicContact CD1-CE1 3.89Å; F895-F1021 AromaticContact CE1-CD1 3.94Å; F895-F1021 HydrophobicContact CE1-CD1 3.94Å; F895-F1021 AromaticContact CE1-CE1 3.71Å; F895-F1021 HydrophobicContact CE1-CE1 3.71Å; F895-Y1022 HydrophobicContact CD1-CD2 4.4Å; F895-Y1022 HydrophobicContact CD2-CD2 4.21Å; F895-Y1022 HydrophobicContact CE1-CD2 4.25Å; F895-Y1022 HydrophobicContact CE2-CD2 4.04Å; F895-Y1022 HydrophobicContact CG-CD2 4.4Å; F895-Y1022 HydrophobicContact CZ-CD2 4.08Å; F895-F1025 HydrophobicContact CE1-CB 4.2Å; F895-F1025 HydrophobicContact CE1-CD1 4.08Å; F895-F1025 HydrophobicContact CE1-CG 4.15Å; F895-F1025 AromaticContact CZ-CD1 3.57Å; F895-F1025 HydrophobicContact CZ-CD1 3.57Å; F895-F1025 HydrophobicContact CZ-CE1 4.07Å; F895-F1025 HydrophobicContact CZ-CG 4.12Å |
| 896 | T | 91.1 | Very high | 90 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | 3.3 | -173.5 | 65.7 | 0 | 0 | 0 | 0 | 114.8 | K860 Y891 C894 I900 V996 | K860-T896 PolarHBondContact NZ-OG1 2.98Å; Y891-T896 HydrophobicContact CD2-CG2 3.92Å; Y891-T896 HydrophobicContact CE2-CG2 3.49Å; Y891-T896 VanDerWaalsContact CE2-CG2 3.49Å; Y891-T896 PolarHBondContact O-N 3.27Å; Y891-T896 PolarHBondContact O-OG1 3.33Å; C894-T896 PolarHBondContact O-N 3.47Å; T896-I900 WeakPolarHBondContact O-CG2 3.49Å; T896-V996 HydrophobicContact CG2-CG2 3.86Å |
| 897 | S | 88 | Confident | 90.4 | Very high | 13 Ų | 13 | 18.6 Ų | 18.6 | 9% | 0.091 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -87.1 | -42.9 | -174.1 | 62.9 | 0 | 0 | 0 | 0 | 113.3 | I893 I900 L901 | I893-S897 VanDerWaalsContact C-OG 3.26Å; I893-S897 WeakPolarHBondContact O-CB 3.28Å; I893-S897 PolarHBondContact O-OG 3.23Å; S897-I900 WeakPolarHBondContact O-CG2 3.48Å; S897-L901 WeakPolarHBondContact O-CB 3.34Å; S897-L901 PolarHBondContact O-N 3.02Å; S897-L901 VanDerWaalsContact O-N 3.1Å |
| 898 | L | 90.9 | Very high | 90.5 | Very high | 92 Ų | 92 | 21 Ų | 21 | 48% | 0.482 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -66.4 | -44.1 | -176.8 | -67.5 | 174.5 | 0 | 0 | 0 | 112.5 | I900 L901 V902 V1014 | L898-I900 VanDerWaalsContact C-N 3.33Å; L898-I900 PolarHBondContact O-N 2.76Å; L898-L901 PolarHBondContact O-N 3.23Å; L898-V902 WeakPolarHBondContact O-CG2 3.43Å; L898-V902 PolarHBondContact O-N 3.49Å; L898-V1014 HydrophobicContact CB-CG1 3.52Å |
| 899 | P | 94.1 | Very high | 90.4 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.013 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57.4 | -45 | 179.1 | -27.2 | 35.8 | 0 | 0 | 0 | 112.8 | V902 Y903 L1000 V1014 S1018 | P899-V902 PolarHBondContact O-N 3.06Å; P899-Y903 WeakPolarHBondContact O-CB 3.42Å; P899-Y903 PolarHBondContact O-N 3.36Å; P899-L1000 HydrophobicContact CB-CD2 3.67Å; P899-V1014 HydrophobicContact CB-CG1 4.36Å; P899-V1014 HydrophobicContact CG-CG1 4Å; P899-S1018 WeakPolarHBondContact CD-OG 3.4Å; P899-S1018 WeakPolarHBondContact CG-OG 3.37Å |
| 900 | I | 94.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -70.3 | -34.7 | -179.9 | -173.5 | 63.4 | 0 | 0 | 0 | 112.2 | L853 Y856 F857 T896 S897 L898 Y903 S904 L1000 | L853-I900 HydrophobicContact CB-CD1 4.48Å; L853-I900 HydrophobicContact CB-CG1 4.4Å; L853-I900 HydrophobicContact CG-CG1 4.03Å; Y856-I900 HydrophobicContact CD1-CB 3.91Å; Y856-I900 HydrophobicContact CD1-CD1 3.49Å; Y856-I900 VanDerWaalsContact CD1-CD1 3.49Å; Y856-I900 HydrophobicContact CD1-CG1 3.59Å; Y856-I900 HydrophobicContact CE1-CB 3.84Å; Y856-I900 HydrophobicContact CE1-CD1 4.13Å; Y856-I900 HydrophobicContact CE1-CG1 4.07Å; Y856-I900 HydrophobicContact CE1-CG2 4.34Å; Y856-I900 HydrophobicContact CG-CD1 3.87Å; Y856-I900 HydrophobicContact CG-CG1 4.42Å; F857-I900 HydrophobicContact CD2-CG1 4.14Å; F857-I900 HydrophobicContact CD2-CG2 4.29Å; F857-I900 HydrophobicContact CE2-CB 4.35Å; F857-I900 HydrophobicContact CE2-CG1 3.95Å; F857-I900 HydrophobicContact CE2-CG2 3.44Å; F857-I900 VanDerWaalsContact CE2-CG2 3.44Å; F857-I900 HydrophobicContact CZ-CG2 3.84Å; T896-I900 WeakPolarHBondContact O-CG2 3.49Å; S897-I900 WeakPolarHBondContact O-CG2 3.48Å; L898-I900 VanDerWaalsContact C-N 3.33Å; L898-I900 PolarHBondContact O-N 2.76Å; I900-Y903 HydrophobicContact CD1-CD1 3.98Å; I900-S904 VanDerWaalsContact O-CB 3.27Å; I900-S904 WeakPolarHBondContact O-CB 3.44Å; I900-S904 PolarHBondContact O-N 3Å; I900-S904 PolarHBondContact O-OG 3.2Å; I900-L1000 HydrophobicContact CB-CD2 4.04Å; I900-L1000 HydrophobicContact CD1-CD1 3.61Å; I900-L1000 HydrophobicContact CD1-CD2 4.2Å |
| 901 | L | 93.8 | Very high | 90.6 | Very high | 30 Ų | 30 | 24.5 Ų | 24.5 | 16% | 0.157 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.4 | -49.5 | 174 | 180 | 61.7 | 0 | 0 | 0 | 110.8 | T360 M363 Q364 S897 L898 S904 L905 | T360-L901 HydrophobicContact CG2-CB 4.1Å; T360-L901 HydrophobicContact CG2-CD1 4Å; M363-L901 HydrophobicContact CB-CD1 4.48Å; M363-L901 HydrophobicContact CG-CD1 4.44Å; M363-L901 HydrophobicContact CG-CD2 4.42Å; Q364-L901 HydrophobicContact CB-CD1 4.19Å; S897-L901 WeakPolarHBondContact O-CB 3.34Å; S897-L901 PolarHBondContact O-N 3.02Å; S897-L901 VanDerWaalsContact O-N 3.1Å; L898-L901 PolarHBondContact O-N 3.23Å; L901-S904 PolarHBondContact O-N 3.42Å; L901-S904 PolarHBondContact O-OG 3.34Å; L901-L905 HydrophobicContact CD1-CD1 4.22Å; L901-L905 HydrophobicContact CD1-CG 4.46Å; L901-L905 HydrophobicContact CG-CD1 4.17Å; L901-L905 WeakPolarHBondContact O-CG 3.36Å; L901-L905 PolarHBondContact O-N 3.02Å; L901-L905 VanDerWaalsContact O-N 3.11Å |
| 902 | V | 94.6 | Very high | 90.6 | Very high | 15 Ų | 15 | 25.8 Ų | 25.8 | 9% | 0.091 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.8 | -43.6 | -179.7 | -179 | 0 | 0 | 0 | 0 | 111.3 | L898 P899 S904 L905 F906 M1010 N1011 V1014 | L898-V902 WeakPolarHBondContact O-CG2 3.43Å; L898-V902 PolarHBondContact O-N 3.49Å; P899-V902 PolarHBondContact O-N 3.06Å; V902-S904 VanDerWaalsContact C-N 3.32Å; V902-S904 PolarHBondContact O-N 2.94Å; V902-L905 PolarHBondContact O-N 2.98Å; V902-L905 VanDerWaalsContact O-N 3.14Å; V902-F906 HydrophobicContact CG1-CD2 3.74Å; V902-F906 HydrophobicContact CG1-CE2 4.23Å; V902-F906 WeakPolarHBondContact O-CD2 3.42Å; V902-F906 PolarHBondContact O-N 3.23Å; V902-M1010 HydrophobicContact CG1-CB 3.98Å; V902-N1011 VanDerWaalsContact CG1-OD1 3.24Å; V902-N1011 WeakPolarHBondContact CG1-OD1 3.4Å; V902-V1014 HydrophobicContact CG2-CB 4.19Å; V902-V1014 HydrophobicContact CG2-CG1 4.14Å; V902-V1014 HydrophobicContact CG2-CG2 3.87Å |
| 903 | Y | 95.1 | Very high | 90.8 | Very high | 9 Ų | 9 | 30 Ų | 30 | 4% | 0.035 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -52.3 | -51.6 | 171 | 171 | -88.9 | 0 | 0 | 0 | 110.8 | T852 P899 I900 L905 F906 E907 L1000 E1003 T1004 | T852-Y903 HydrophobicContact CG2-CE1 3.58Å; T852-Y903 WeakPolarHBondContact CG2-OH 3.41Å; P899-Y903 WeakPolarHBondContact O-CB 3.42Å; P899-Y903 PolarHBondContact O-N 3.36Å; I900-Y903 HydrophobicContact CD1-CD1 3.98Å; Y903-L905 PolarHBondContact O-N 2.71Å; Y903-L905 VanDerWaalsContact O-N 3.12Å; Y903-F906 PolarHBondContact O-N 2.9Å; Y903-E907 HydrophobicContact CD2-CB 4.19Å; Y903-E907 HydrophobicContact CD2-CG 4.27Å; Y903-E907 HydrophobicContact CE1-CB 4.46Å; Y903-E907 HydrophobicContact CE1-CG 4.46Å; Y903-E907 HydrophobicContact CE2-CB 4.04Å; Y903-E907 HydrophobicContact CE2-CG 3.64Å; Y903-E907 HydrophobicContact CG-CB 4.5Å; Y903-E907 WeakPolarHBondContact O-CB 3.49Å; Y903-E907 PolarHBondContact O-N 3.23Å; Y903-L1000 HydrophobicContact CD1-CD1 4.22Å; Y903-L1000 HydrophobicContact CD2-CD1 4.18Å; Y903-L1000 HydrophobicContact CG-CD1 3.96Å; Y903-E1003 HydrophobicContact CE2-CB 4.46Å; Y903-T1004 HydrophobicContact CD2-CG2 4.34Å; Y903-T1004 WeakPolarHBondContact CD2-OG1 3.28Å |
| 904 | S | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.7 | -12.3 | -177 | 74.8 | 0 | 0 | 0 | 0 | 115.2 | Q364 R849 L853 I900 L901 V902 | Q364-S904 WeakPolarHBondContact CG-OG 3.48Å; Q364-S904 PolarHBondContact NE2-O 3.24Å; R849-S904 WeakPolarHBondContact CB-O 3.38Å; R849-S904 VanDerWaalsContact CD-O 3.28Å; R849-S904 WeakPolarHBondContact CD-O 3.47Å; R849-S904 WeakPolarHBondContact CG-O 3.26Å; L853-S904 VanDerWaalsContact CD1-CB 3.46Å; L853-S904 WeakPolarHBondContact CD1-OG 3.42Å; I900-S904 VanDerWaalsContact O-CB 3.27Å; I900-S904 WeakPolarHBondContact O-CB 3.44Å; I900-S904 PolarHBondContact O-N 3Å; I900-S904 PolarHBondContact O-OG 3.2Å; L901-S904 PolarHBondContact O-N 3.42Å; L901-S904 PolarHBondContact O-OG 3.34Å; V902-S904 VanDerWaalsContact C-N 3.32Å; V902-S904 PolarHBondContact O-N 2.94Å |
| 905 | L | 93.9 | Very high | 91.3 | Very high | 13 Ų | 13 | 27.5 Ų | 27.5 | 7% | 0.068 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -93.4 | -45.6 | 175.1 | -71.7 | 171.1 | 0 | 0 | 0 | 111.5 | Q364 L367 F371 R849 L901 V902 Y903 | Q364-L905 HydrophobicContact CG-CD2 4.27Å; L367-L905 HydrophobicContact CB-CD1 4.45Å; L367-L905 HydrophobicContact CB-CD2 3.78Å; L367-L905 HydrophobicContact CD1-CD1 3.96Å; F371-L905 HydrophobicContact CE2-CB 4.32Å; F371-L905 HydrophobicContact CE2-CD2 4.41Å; F371-L905 WeakPolarHBondContact CE2-O 3.4Å; R849-L905 PolarHBondContact NH1-O 3.24Å; L901-L905 HydrophobicContact CD1-CD1 4.22Å; L901-L905 HydrophobicContact CD1-CG 4.46Å; L901-L905 HydrophobicContact CG-CD1 4.17Å; L901-L905 WeakPolarHBondContact O-CG 3.36Å; L901-L905 PolarHBondContact O-N 3.02Å; L901-L905 VanDerWaalsContact O-N 3.11Å; V902-L905 PolarHBondContact O-N 2.98Å; V902-L905 VanDerWaalsContact O-N 3.14Å; Y903-L905 PolarHBondContact O-N 2.71Å; Y903-L905 VanDerWaalsContact O-N 3.12Å |
| 906 | F | 93.7 | Very high | 91.2 | Very high | 57 Ų | 57 | 31.1 Ų | 31.1 | 25% | 0.25 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -106 | -10 | -166.9 | -64.5 | -72.9 | 0 | 0 | 0 | 114.9 | F371 V902 Y903 Q908 M1010 | F371-F906 HydrophobicContact CE1-CE1 4.39Å; F371-F906 HydrophobicContact CE2-CE1 4.45Å; F371-F906 HydrophobicContact CZ-CD1 4.32Å; F371-F906 AromaticContact CZ-CE1 3.71Å; F371-F906 HydrophobicContact CZ-CE1 3.71Å; F371-F906 HydrophobicContact CZ-CZ 4.06Å; V902-F906 HydrophobicContact CG1-CD2 3.74Å; V902-F906 HydrophobicContact CG1-CE2 4.23Å; V902-F906 WeakPolarHBondContact O-CD2 3.42Å; V902-F906 PolarHBondContact O-N 3.23Å; Y903-F906 PolarHBondContact O-N 2.9Å; F906-Q908 PolarHBondContact O-N 3.37Å; F906-M1010 HydrophobicContact CD2-SD 4.44Å; F906-M1010 HydrophobicContact CE1-SD 4.42Å; F906-M1010 HydrophobicContact CE2-CE 3.82Å; F906-M1010 HydrophobicContact CE2-SD 3.74Å; F906-M1010 HydrophobicContact CZ-CE 4.05Å; F906-M1010 HydrophobicContact CZ-SD 3.72Å |
| 907 | E | 93.8 | Very high | 91.1 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | trans | -59.8 | 134.6 | -175.9 | -177.7 | 61.9 | -164.2 | 0 | 0 | 112.1 | R849 Y903 Q1005 F1006 | R849-E907 HydrophobicContact CG-CB 4.29Å; R849-E907 PolarHBondContact NE-O 2.85Å; R849-E907 PolarHBondContact NH2-O 3.41Å; Y903-E907 HydrophobicContact CD2-CB 4.19Å; Y903-E907 HydrophobicContact CD2-CG 4.27Å; Y903-E907 HydrophobicContact CE1-CB 4.46Å; Y903-E907 HydrophobicContact CE1-CG 4.46Å; Y903-E907 HydrophobicContact CE2-CB 4.04Å; Y903-E907 HydrophobicContact CE2-CG 3.64Å; Y903-E907 HydrophobicContact CG-CB 4.5Å; Y903-E907 WeakPolarHBondContact O-CB 3.49Å; Y903-E907 PolarHBondContact O-N 3.23Å; E907-Q1005 WeakPolarHBondContact OE1-CA 3.42Å; E907-Q1005 VanDerWaalsContact OE1-CB 3.31Å; E907-Q1005 WeakPolarHBondContact OE1-CB 3.21Å; E907-Q1005 PolarHBondContact OE1-N 3Å; E907-F1006 PolarHBondContact OE1-N 2.91Å; E907-F1006 PolarHBondContact OE2-N 2.88Å | ||
| 908 | Q | 90.6 | Very high | 91.3 | Very high | 54 Ų | 54 | 37 Ų | 37 | 25% | 0.252 | 20% | 0.196 | S | C | . | . | trans | -131.8 | 97.5 | 175.3 | -66.2 | 178.8 | 42.7 | 0 | 0 | 108.4 | F845 F906 V910 F1006 | F845-Q908 HydrophobicContact CE1-CB 4.32Å; F845-Q908 HydrophobicContact CE1-CG 4.45Å; F845-Q908 HydrophobicContact CE2-CG 4.24Å; F845-Q908 HydrophobicContact CZ-CB 4.25Å; F845-Q908 HydrophobicContact CZ-CG 4.06Å; F906-Q908 PolarHBondContact O-N 3.37Å; Q908-V910 VanDerWaalsContact C-N 3.28Å; Q908-V910 PolarHBondContact O-N 3.3Å; Q908-F1006 HydrophobicContact CB-CB 4.13Å; Q908-F1006 HydrophobicContact CB-CD1 4.25Å; Q908-F1006 HydrophobicContact CB-CG 4.09Å; Q908-F1006 HydrophobicContact CG-CD1 4.28Å | ||
| 909 | L | 85.4 | Confident | 91.3 | Very high | 49 Ų | 49 | 33.2 Ų | 33.2 | 26% | 0.257 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -63.8 | -38 | 179.5 | -176.7 | 62.1 | 0 | 0 | 0 | 111.3 | I848 Q1005 T1085 Q1089 | I848-L909 HydrophobicContact CD1-CB 4.34Å; I848-L909 HydrophobicContact CD1-CD2 3.74Å; L909-Q1005 HydrophobicContact CD1-CB 4.41Å; L909-Q1005 HydrophobicContact CD1-CG 3.68Å; L909-T1085 HydrophobicContact CD2-CG2 3.67Å; L909-T1085 HydrophobicContact CG-CG2 3.99Å; L909-Q1089 PolarHBondContact O-NE2 3.3Å |
| 910 | V | 87.3 | Confident | 91.2 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -133.6 | 144.6 | 179.9 | -177 | 0 | 0 | 0 | 0 | 108.4 | F845 Q908 I914 L915 T1085 Q1089 | F845-V910 WeakPolarHBondContact CE1-O 3.29Å; F845-V910 VanDerWaalsContact CZ-O 3.29Å; F845-V910 WeakPolarHBondContact CZ-O 3.26Å; Q908-V910 VanDerWaalsContact C-N 3.28Å; Q908-V910 PolarHBondContact O-N 3.3Å; V910-I914 HydrophobicContact CG1-CB 3.74Å; V910-I914 HydrophobicContact CG1-CG2 3.6Å; V910-L915 HydrophobicContact CB-CD1 4.47Å; V910-L915 HydrophobicContact CB-CD2 4.07Å; V910-L915 HydrophobicContact CB-CG 4.08Å; V910-L915 HydrophobicContact CG1-CD2 4.2Å; V910-L915 HydrophobicContact CG1-CG 4.1Å; V910-T1085 HydrophobicContact CG2-CG2 3.49Å; V910-T1085 VanDerWaalsContact CG2-CG2 3.49Å; V910-Q1089 HydrophobicContact CG2-CG 4.44Å |
| 911 | H | 88.8 | Confident | 91 | Very high | 85 Ų | 85 | 36.4 Ų | 36.4 | 39% | 0.394 | 20% | 0.2 | S | C | . | . | trans | -60.1 | 141 | 176.1 | -163 | -96.9 | 0 | 0 | 0 | 111.4 | D913 I914 L915 | H911-D913 VanDerWaalsContact C-N 3.26Å; H911-D913 IonicContact CE1-OD2 2.64Å; H911-D913 PolarHBondContact CE1-OD2 3.48Å; H911-D913 PolarHBondContact ND1-N 3.18Å; H911-D913 IonicContact ND1-OD2 2.83Å; H911-D913 PolarHBondContact ND1-OD2 2.87Å; H911-D913 VanDerWaalsContact ND1-OD2 3.11Å; H911-D913 PolarHBondContact O-N 2.97Å; H911-D913 VanDerWaalsContact O-N 3.16Å; H911-I914 PolarHBondContact O-N 3.01Å; H911-I914 VanDerWaalsContact O-N 3.11Å; H911-L915 PolarHBondContact O-N 3.21Å | ||
| 912 | P | 88.9 | Confident | 90.9 | Very high | 26 Ų | 26 | 35.3 Ų | 35.3 | 17% | 0.169 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -49.7 | -41.1 | -179.9 | -30.4 | 35.3 | 0 | 0 | 0 | 114.9 | V841 F845 I914 L915 Q916 | V841-P912 HydrophobicContact CG1-CB 3.89Å; V841-P912 HydrophobicContact CG1-CG 4.36Å; F845-P912 HydrophobicContact CE2-CG 4.05Å; F845-P912 HydrophobicContact CZ-CG 4.01Å; P912-I914 VanDerWaalsContact C-N 3.3Å; P912-I914 PolarHBondContact O-N 3.06Å; P912-L915 PolarHBondContact O-N 3.34Å; P912-Q916 PolarHBondContact O-N 3.26Å; P912-Q916 VanDerWaalsContact O-N 3.16Å |
| 913 | D | 88.6 | Confident | 90.6 | Very high | 99 Ų | 99 | 41.9 Ų | 41.9 | 53% | 0.529 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.3 | -33.8 | -176.5 | -56.8 | -28.9 | 0 | 0 | 0 | 112.6 | H911 Q916 A917 | H911-D913 VanDerWaalsContact C-N 3.26Å; H911-D913 IonicContact CE1-OD2 2.64Å; H911-D913 PolarHBondContact CE1-OD2 3.48Å; H911-D913 PolarHBondContact ND1-N 3.18Å; H911-D913 IonicContact ND1-OD2 2.83Å; H911-D913 PolarHBondContact ND1-OD2 2.87Å; H911-D913 VanDerWaalsContact ND1-OD2 3.11Å; H911-D913 PolarHBondContact O-N 2.97Å; H911-D913 VanDerWaalsContact O-N 3.16Å; D913-Q916 PolarHBondContact O-N 3.42Å; D913-A917 WeakPolarHBondContact O-CB 3.41Å; D913-A917 PolarHBondContact O-N 3.49Å |
| 914 | I | 89.3 | Confident | 90.2 | Very high | 25 Ų | 25 | 44.4 Ų | 44.4 | 13% | 0.128 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -72.2 | -38.9 | 176.4 | -69 | -156.3 | 0 | 0 | 0 | 111.5 | V910 H911 P912 Q916 A917 K918 L921 Q1092 | V910-I914 HydrophobicContact CG1-CB 3.74Å; V910-I914 HydrophobicContact CG1-CG2 3.6Å; H911-I914 PolarHBondContact O-N 3.01Å; H911-I914 VanDerWaalsContact O-N 3.11Å; P912-I914 VanDerWaalsContact C-N 3.3Å; P912-I914 PolarHBondContact O-N 3.06Å; I914-Q916 PolarHBondContact O-N 3.31Å; I914-A917 PolarHBondContact O-N 3.06Å; I914-K918 HydrophobicContact CG2-CD 4.34Å; I914-K918 PolarHBondContact O-N 3.13Å; I914-L921 HydrophobicContact CG2-CD1 4.11Å; I914-Q1092 HydrophobicContact CD1-CG 3.07Å; I914-Q1092 HydrophobicContact CG1-CG 4.2Å |
| 915 | L | 90 | Very high | 89.9 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.2 | -33.3 | 176 | -69.2 | 175.3 | 0 | 0 | 0 | 111.3 | V841 H844 F845 V910 H911 P912 L921 | V841-L915 HydrophobicContact CG2-CB 4.2Å; H844-L915 HydrophobicContact CB-CD1 4.36Å; F845-L915 HydrophobicContact CD1-CD1 3.99Å; F845-L915 HydrophobicContact CE1-CD1 3.39Å; F845-L915 HydrophobicContact CZ-CD1 3.77Å; V910-L915 HydrophobicContact CB-CD1 4.47Å; V910-L915 HydrophobicContact CB-CD2 4.07Å; V910-L915 HydrophobicContact CB-CG 4.08Å; V910-L915 HydrophobicContact CG1-CD2 4.2Å; V910-L915 HydrophobicContact CG1-CG 4.1Å; H911-L915 PolarHBondContact O-N 3.21Å; P912-L915 PolarHBondContact O-N 3.34Å; L915-L921 HydrophobicContact CD2-CB 4.4Å; L915-L921 HydrophobicContact CD2-CD1 4.11Å |
| 916 | Q | 87.8 | Confident | 89.4 | Confident | 76 Ų | 76 | 45.7 Ų | 45.7 | 36% | 0.355 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -75 | -42.3 | 172.7 | -65.1 | -175.7 | 26 | 0 | 0 | 112.7 | V841 P912 D913 I914 | V841-Q916 HydrophobicContact CG2-CG 3.59Å; P912-Q916 PolarHBondContact O-N 3.26Å; P912-Q916 VanDerWaalsContact O-N 3.16Å; D913-Q916 PolarHBondContact O-N 3.42Å; I914-Q916 PolarHBondContact O-N 3.31Å |
| 917 | A | 89.4 | Confident | 89 | Confident | 78 Ų | 78 | 50.6 Ų | 50.6 | 65% | 0.645 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -71.1 | -29.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D913 I914 P919 | D913-A917 WeakPolarHBondContact O-CB 3.41Å; D913-A917 PolarHBondContact O-N 3.49Å; I914-A917 PolarHBondContact O-N 3.06Å; A917-P919 WeakPolarHBondContact O-CD 3.37Å |
| 918 | K | 91.8 | Very high | 88.6 | Confident | 59 Ų | 59 | 51.6 Ų | 51.6 | 26% | 0.257 | 27% | 0.266 | S | S | . | . | trans | -120.7 | 76.3 | -179.8 | -64.6 | -173.8 | -179.5 | -179.1 | 0 | 111.8 | I914 S920 L921 E1091 | I914-K918 HydrophobicContact CG2-CD 4.34Å; I914-K918 PolarHBondContact O-N 3.13Å; K918-S920 PolarHBondContact O-N 2.98Å; K918-S920 VanDerWaalsContact O-N 3.07Å; K918-L921 HydrophobicContact CB-CD1 4.05Å; K918-L921 HydrophobicContact CB-CG 4.2Å; K918-L921 PolarHBondContact O-N 3.32Å; K918-E1091 IonicContact NZ-OE1 3.75Å; K918-E1091 PolarHBondContact NZ-OE1 3.38Å; K918-E1091 IonicContact NZ-OE2 2.66Å; K918-E1091 PolarHBondContact NZ-OE2 3.2Å | ||
| 919 | P | 91.9 | Very high | 88.4 | Confident | 13 Ų | 13 | 51.1 Ų | 51.1 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -60.6 | -23.2 | -178 | -23.6 | 34.2 | 0 | 0 | 0 | 114.2 | V669 R672 A673 L840 A917 L921 Y922 | V669-P919 HydrophobicContact CB-CG 4.41Å; V669-P919 HydrophobicContact CG1-CB 4.19Å; V669-P919 HydrophobicContact CG1-CG 3.77Å; V669-P919 HydrophobicContact CG2-CG 4.42Å; V669-P919 WeakPolarHBondContact O-CB 3.32Å; R672-P919 HydrophobicContact CB-CB 4.25Å; A673-P919 WeakPolarHBondContact CA-O 3.34Å; A673-P919 HydrophobicContact CB-CB 4.02Å; A673-P919 WeakPolarHBondContact CB-O 3.27Å; L840-P919 HydrophobicContact CD1-CB 3.98Å; L840-P919 HydrophobicContact CD1-CG 4.22Å; L840-P919 HydrophobicContact CD2-CB 4.47Å; A917-P919 WeakPolarHBondContact O-CD 3.37Å; P919-L921 PolarHBondContact O-N 3.49Å; P919-L921 VanDerWaalsContact O-N 3.16Å; P919-Y922 VanDerWaalsContact O-CB 3.26Å; P919-Y922 WeakPolarHBondContact O-CB 3.16Å; P919-Y922 PolarHBondContact O-N 2.94Å; P919-Y922 VanDerWaalsContact O-N 3.09Å |
| 920 | S | 90.9 | Very high | 88.6 | Confident | 66 Ų | 66 | 51.6 Ų | 51.6 | 46% | 0.462 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -59.6 | -24.4 | 178.6 | 52.8 | 0 | 0 | 0 | 0 | 113.6 | K918 Y922 R923 | K918-S920 PolarHBondContact O-N 2.98Å; K918-S920 VanDerWaalsContact O-N 3.07Å; S920-Y922 PolarHBondContact O-N 3.48Å; S920-R923 VanDerWaalsContact O-CB 3.31Å; S920-R923 WeakPolarHBondContact O-CB 3.29Å; S920-R923 PolarHBondContact O-N 2.95Å |
| 921 | L | 91.2 | Very high | 88.7 | Confident | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -61.8 | -23.7 | 175.9 | -67.2 | 176.4 | 0 | 0 | 0 | 113 | I914 L915 K918 P919 R923 D924 | I914-L921 HydrophobicContact CG2-CD1 4.11Å; L915-L921 HydrophobicContact CD2-CB 4.4Å; L915-L921 HydrophobicContact CD2-CD1 4.11Å; K918-L921 HydrophobicContact CB-CD1 4.05Å; K918-L921 HydrophobicContact CB-CG 4.2Å; K918-L921 PolarHBondContact O-N 3.32Å; P919-L921 PolarHBondContact O-N 3.49Å; P919-L921 VanDerWaalsContact O-N 3.16Å; L921-R923 PolarHBondContact O-N 2.99Å; L921-D924 WeakPolarHBondContact O-CB 3.38Å; L921-D924 PolarHBondContact O-N 3.3Å |
| 922 | Y | 91.6 | Very high | 88.8 | Confident | 7 Ų | 7 | 49.6 Ų | 49.6 | 3% | 0.027 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.2 | -26.6 | 173.9 | -171.1 | -90 | 0 | 0 | 0 | 112.3 | L398 G399 Q400 V401 A673 I675 L840 P919 S920 D924 I925 S926 | L398-Y922 PolarHBondContact O-OH 3.24Å; G399-Y922 PolarHBondContact O-OH 3.32Å; Q400-Y922 PolarHBondContact N-OH 3.31Å; V401-Y922 PolarHBondContact N-OH 3.03Å; V401-Y922 WeakPolarHBondContact O-CE1 3.44Å; V401-Y922 PolarHBondContact O-OH 3.4Å; A673-Y922 HydrophobicContact CB-CD1 4.23Å; A673-Y922 HydrophobicContact CB-CG 4.27Å; I675-Y922 HydrophobicContact CD1-CD1 4.49Å; I675-Y922 HydrophobicContact CD1-CE1 4.06Å; I675-Y922 HydrophobicContact CG1-CE1 4.1Å; L840-Y922 HydrophobicContact CD2-CD2 3.9Å; L840-Y922 HydrophobicContact CD2-CG 3.98Å; P919-Y922 VanDerWaalsContact O-CB 3.26Å; P919-Y922 WeakPolarHBondContact O-CB 3.16Å; P919-Y922 PolarHBondContact O-N 2.94Å; P919-Y922 VanDerWaalsContact O-N 3.09Å; S920-Y922 PolarHBondContact O-N 3.48Å; Y922-D924 VanDerWaalsContact C-N 3.32Å; Y922-D924 PolarHBondContact O-N 3.04Å; Y922-I925 HydrophobicContact CD2-CD1 4.26Å; Y922-I925 HydrophobicContact CE2-CD1 4.42Å; Y922-I925 WeakPolarHBondContact O-CG1 3.29Å; Y922-I925 PolarHBondContact O-N 2.98Å; Y922-S926 PolarHBondContact O-N 2.88Å |
| 923 | R | 88.9 | Confident | 88.9 | Confident | 153 Ų | 153 | 54.5 Ų | 54.5 | 58% | 0.577 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -69.2 | -30.5 | 178.6 | -59.4 | 176.4 | 75.7 | 168.6 | 1.8 | 112.3 | A673 S920 L921 I925 S926 | A673-R923 WeakPolarHBondContact O-CG 3.33Å; S920-R923 VanDerWaalsContact O-CB 3.31Å; S920-R923 WeakPolarHBondContact O-CB 3.29Å; S920-R923 PolarHBondContact O-N 2.95Å; L921-R923 PolarHBondContact O-N 2.99Å; R923-I925 PolarHBondContact O-N 3.37Å; R923-S926 WeakPolarHBondContact O-CB 3.48Å; R923-S926 PolarHBondContact O-N 2.81Å; R923-S926 PolarHBondContact O-OG 2.94Å |
| 924 | D | 85.9 | Confident | 89 | Confident | 62 Ų | 62 | 60.1 Ų | 60.1 | 33% | 0.332 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.6 | -31.8 | -179.3 | -68.5 | -6.6 | 0 | 0 | 0 | 111.9 | L921 Y922 S929 S1084 T1085 | L921-D924 WeakPolarHBondContact O-CB 3.38Å; L921-D924 PolarHBondContact O-N 3.3Å; Y922-D924 VanDerWaalsContact C-N 3.32Å; Y922-D924 PolarHBondContact O-N 3.04Å; D924-S929 PolarHBondContact O-OG 3.41Å; D924-S1084 VanDerWaalsContact OD2-CB 3.3Å; D924-S1084 WeakPolarHBondContact OD2-CB 3.33Å; D924-S1084 PolarHBondContact OD2-OG 3.33Å; D924-T1085 PolarHBondContact OD2-OG1 3.47Å |
| 925 | I | 88.4 | Confident | 89.2 | Confident | 7 Ų | 7 | 60.8 Ų | 60.8 | 4% | 0.036 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -92.6 | -11.5 | -179.9 | 62.1 | 162.7 | 0 | 0 | 0 | 113.7 | G399 Q400 H844 Y847 I848 Y922 R923 | G399-I925 VanDerWaalsContact O-CD1 3.29Å; G399-I925 WeakPolarHBondContact O-CD1 3.5Å; Q400-I925 PolarHBondContact NE2-O 3.3Å; Q400-I925 PolarHBondContact OE1-O 3.29Å; H844-I925 HydrophobicContact CB-CD1 3.98Å; H844-I925 WeakPolarHBondContact ND1-CD1 3.3Å; Y847-I925 HydrophobicContact CD1-CB 3.62Å; Y847-I925 HydrophobicContact CD1-CD1 4.19Å; Y847-I925 HydrophobicContact CD1-CG1 4.46Å; Y847-I925 HydrophobicContact CD1-CG2 3.99Å; Y847-I925 HydrophobicContact CE1-CB 3.83Å; Y847-I925 HydrophobicContact CE1-CG2 4.28Å; I848-I925 HydrophobicContact CD1-CG2 4.26Å; I848-I925 HydrophobicContact CG1-CG2 4.17Å; Y922-I925 HydrophobicContact CD2-CD1 4.26Å; Y922-I925 HydrophobicContact CE2-CD1 4.42Å; Y922-I925 WeakPolarHBondContact O-CG1 3.29Å; Y922-I925 PolarHBondContact O-N 2.98Å; R923-I925 PolarHBondContact O-N 3.37Å |
| 926 | S | 83.4 | Confident | 89.3 | Confident | 32 Ų | 32 | 60.9 Ų | 60.9 | 22% | 0.224 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -61.9 | 161.4 | -178 | 72.2 | 0 | 0 | 0 | 0 | 112.8 | Y922 R923 N928 | Y922-S926 PolarHBondContact O-N 2.88Å; R923-S926 WeakPolarHBondContact O-CB 3.48Å; R923-S926 PolarHBondContact O-N 2.81Å; R923-S926 PolarHBondContact O-OG 2.94Å; S926-N928 PolarHBondContact O-N 3.33Å |
| 927 | K | 84.4 | Confident | 89.6 | Confident | 161 Ų | 161 | 61.1 Ų | 61.1 | 70% | 0.7 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | 57.1 | 30.8 | 178.9 | -56.4 | -178.1 | 179.3 | -178.3 | 0 | 114.1 | S929 | K927-S929 VanDerWaalsContact C-N 3.32Å; K927-S929 PolarHBondContact O-N 2.84Å |
| 928 | N | 85.8 | Confident | 89.9 | Confident | 23 Ų | 23 | 61 Ų | 61 | 12% | 0.123 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | 54.3 | 43.6 | 176.2 | -158.2 | 13.2 | 0 | 0 | 0 | 114 | S285 Y847 S926 L930 L931 S932 | S285-N928 PolarHBondContact OG-ND2 3.3Å; Y847-N928 VanDerWaalsContact CE2-OD1 3.22Å; Y847-N928 WeakPolarHBondContact CE2-OD1 3.35Å; Y847-N928 WeakPolarHBondContact OH-CA 3.25Å; Y847-N928 PolarHBondContact OH-O 3.39Å; Y847-N928 PolarHBondContact OH-OD1 3.37Å; S926-N928 PolarHBondContact O-N 3.33Å; N928-L930 PolarHBondContact O-N 2.86Å; N928-L931 CarbonylContact O-C 3.48Å; N928-L931 PolarHBondContact O-N 3.23Å; N928-L931 WeakPolarHBondContact OD1-CB 3.37Å; N928-S932 PolarHBondContact O-N 2.94Å |
| 929 | S | 87 | Confident | 90 | Very high | 44 Ų | 44 | 59.3 Ų | 59.3 | 31% | 0.308 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -58.9 | -39.5 | -172 | 63.4 | 0 | 0 | 0 | 0 | 114.1 | Y847 D924 K927 S932 | Y847-S929 PolarHBondContact OH-N 3.49Å; D924-S929 PolarHBondContact O-OG 3.41Å; K927-S929 VanDerWaalsContact C-N 3.32Å; K927-S929 PolarHBondContact O-N 2.84Å; S929-S932 VanDerWaalsContact O-CB 3.26Å; S929-S932 WeakPolarHBondContact O-CB 3.28Å; S929-S932 PolarHBondContact O-N 3.11Å; S929-S932 PolarHBondContact O-OG 3.05Å |
| 930 | L | 88.5 | Confident | 90.2 | Very high | 59 Ų | 59 | 59 Ų | 59 | 31% | 0.309 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -74.7 | -24.6 | -177.7 | -66.6 | 176.1 | 0 | 0 | 0 | 113.6 | Y847 I848 A851 Q855 N928 T935 | Y847-L930 HydrophobicContact CD1-CD1 4.16Å; Y847-L930 HydrophobicContact CE1-CB 3.99Å; Y847-L930 HydrophobicContact CE1-CD1 3.7Å; Y847-L930 HydrophobicContact CE1-CG 3.93Å; Y847-L930 PolarHBondContact OH-N 3.19Å; I848-L930 HydrophobicContact CB-CD1 4.48Å; I848-L930 HydrophobicContact CG1-CD1 3.95Å; A851-L930 HydrophobicContact CB-CB 3.68Å; A851-L930 HydrophobicContact CB-CD1 4.06Å; Q855-L930 PolarHBondContact NE2-O 3.45Å; N928-L930 PolarHBondContact O-N 2.86Å; L930-T935 WeakPolarHBondContact O-CB 3.49Å; L930-T935 VanDerWaalsContact O-CG2 3.31Å; L930-T935 WeakPolarHBondContact O-CG2 3.37Å |
| 931 | L | 90.2 | Very high | 90.3 | Very high | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -105.2 | 27.2 | 172.7 | -59.9 | 165.1 | 0 | 0 | 0 | 111.5 | V282 F289 A851 V854 Q855 N928 | V282-L931 HydrophobicContact CB-CD1 4.03Å; V282-L931 HydrophobicContact CG1-CD1 3.62Å; V282-L931 HydrophobicContact CG2-CD1 3.69Å; F289-L931 HydrophobicContact CE2-CB 4.4Å; F289-L931 HydrophobicContact CE2-CD2 4.1Å; F289-L931 HydrophobicContact CZ-CB 4.45Å; F289-L931 WeakPolarHBondContact CZ-O 3.44Å; A851-L931 HydrophobicContact CB-CD1 4.24Å; A851-L931 HydrophobicContact CB-CD2 4.24Å; A851-L931 HydrophobicContact CB-CG 3.91Å; V854-L931 HydrophobicContact CB-CD2 4.09Å; V854-L931 HydrophobicContact CG1-CD2 4.09Å; Q855-L931 HydrophobicContact CG-CD2 4.05Å; N928-L931 CarbonylContact O-C 3.48Å; N928-L931 PolarHBondContact O-N 3.23Å; N928-L931 WeakPolarHBondContact OD1-CB 3.37Å |
| 932 | S | 91.5 | Very high | 90.5 | Very high | 40 Ų | 40 | 61.6 Ų | 61.6 | 28% | 0.28 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -67.8 | 154.8 | 169 | 71 | 0 | 0 | 0 | 0 | 111 | N928 S929 R934 T935 F936 | N928-S932 PolarHBondContact O-N 2.94Å; S929-S932 VanDerWaalsContact O-CB 3.26Å; S929-S932 WeakPolarHBondContact O-CB 3.28Å; S929-S932 PolarHBondContact O-N 3.11Å; S929-S932 PolarHBondContact O-OG 3.05Å; S932-R934 PolarHBondContact O-N 3.4Å; S932-T935 PolarHBondContact O-N 3.08Å; S932-T935 PolarHBondContact OG-OG1 3.08Å; S932-F936 PolarHBondContact O-N 3.32Å |
| 933 | F | 90.2 | Very high | 90.7 | Very high | 129 Ų | 129 | 61.3 Ų | 61.3 | 57% | 0.566 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -57.6 | -31.7 | 178 | -175.6 | -102.5 | 0 | 0 | 0 | 112.9 | I292 F936 L937 | I292-F933 HydrophobicContact CD1-CD2 4.34Å; I292-F933 HydrophobicContact CD1-CE2 3.86Å; F933-F936 HydrophobicContact CD2-CD1 4.31Å; F933-F936 HydrophobicContact CE2-CD1 4.41Å; F933-L937 WeakPolarHBondContact O-CB 3.4Å; F933-L937 PolarHBondContact O-N 2.6Å |
| 934 | R | 91.8 | Very high | 91 | Very high | 218 Ų | 218 | 56 Ų | 56 | 82% | 0.823 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -66.6 | -48.2 | 177.9 | -66 | -177.8 | -178.5 | 175.9 | -0.1 | 111.9 | S932 F936 L937 Y938 | S932-R934 PolarHBondContact O-N 3.4Å; R934-F936 VanDerWaalsContact C-N 3.33Å; R934-L937 PolarHBondContact O-N 2.72Å; R934-Y938 PolarHBondContact O-N 3.24Å; R934-Y938 VanDerWaalsContact O-N 3.07Å |
| 935 | T | 92.3 | Very high | 91.5 | Very high | 38 Ų | 38 | 57 Ų | 57 | 23% | 0.233 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 178 | -52.1 | 0 | 0 | 0 | 0 | 110.3 | L930 S932 L937 Y938 W939 | L930-T935 WeakPolarHBondContact O-CB 3.49Å; L930-T935 VanDerWaalsContact O-CG2 3.31Å; L930-T935 WeakPolarHBondContact O-CG2 3.37Å; S932-T935 PolarHBondContact O-N 3.08Å; S932-T935 PolarHBondContact OG-OG1 3.08Å; T935-L937 PolarHBondContact O-N 3.19Å; T935-Y938 WeakPolarHBondContact O-CB 3.17Å; T935-Y938 PolarHBondContact O-N 3.4Å; T935-W939 VanDerWaalsContact O-CD1 3.23Å; T935-W939 PolarHBondContact O-N 3.32Å; T935-W939 VanDerWaalsContact O-N 3.08Å |
| 936 | F | 93.2 | Very high | 91.9 | Very high | 5 Ų | 5 | 57 Ų | 57 | 2% | 0.022 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.9 | -49.1 | 174.7 | 170.3 | -103.5 | 0 | 0 | 0 | 113.1 | F289 I292 Y293 F858 S932 F933 R934 Y938 W939 T940 | F289-F936 HydrophobicContact CB-CD2 4.21Å; F289-F936 HydrophobicContact CB-CE2 3.71Å; F289-F936 HydrophobicContact CB-CZ 4.1Å; F289-F936 HydrophobicContact CD1-CB 4.37Å; F289-F936 HydrophobicContact CD1-CD1 4.02Å; F289-F936 AromaticContact CD1-CD2 3.72Å; F289-F936 HydrophobicContact CD1-CD2 3.72Å; F289-F936 HydrophobicContact CD1-CE1 4.24Å; F289-F936 AromaticContact CD1-CE2 3.94Å; F289-F936 HydrophobicContact CD1-CE2 3.94Å; F289-F936 AromaticContact CD1-CG 3.75Å; F289-F936 HydrophobicContact CD1-CG 3.75Å; F289-F936 HydrophobicContact CD1-CZ 4.2Å; F289-F936 AromaticContact CD2-CD2 3.68Å; F289-F936 HydrophobicContact CD2-CD2 3.68Å; F289-F936 HydrophobicContact CD2-CE2 4.03Å; F289-F936 HydrophobicContact CD2-CG 4.37Å; F289-F936 HydrophobicContact CE1-CB 3.75Å; F289-F936 HydrophobicContact CE1-CD1 4.08Å; F289-F936 AromaticContact CE1-CD2 3.92Å; F289-F936 HydrophobicContact CE1-CD2 3.92Å; F289-F936 AromaticContact CE1-CG 3.62Å; F289-F936 HydrophobicContact CE1-CG 3.62Å; F289-F936 HydrophobicContact CE2-CB 4.21Å; F289-F936 AromaticContact CE2-CD2 3.87Å; F289-F936 HydrophobicContact CE2-CD2 3.87Å; F289-F936 HydrophobicContact CE2-CG 4.25Å; F289-F936 AromaticContact CG-CD2 3.6Å; F289-F936 HydrophobicContact CG-CD2 3.6Å; F289-F936 AromaticContact CG-CE2 3.64Å; F289-F936 HydrophobicContact CG-CE2 3.64Å; F289-F936 HydrophobicContact CG-CG 4.14Å; F289-F936 HydrophobicContact CG-CZ 4.22Å; F289-F936 HydrophobicContact CZ-CB 3.65Å; F289-F936 AromaticContact CZ-CD2 3.98Å; F289-F936 HydrophobicContact CZ-CD2 3.98Å; F289-F936 AromaticContact CZ-CG 3.88Å; F289-F936 HydrophobicContact CZ-CG 3.88Å; I292-F936 HydrophobicContact CD1-CE1 4.04Å; I292-F936 HydrophobicContact CG2-CE1 4.25Å; I292-F936 HydrophobicContact CG2-CZ 4.47Å; Y293-F936 HydrophobicContact CD2-CE2 4.38Å; Y293-F936 HydrophobicContact CD2-CZ 4.17Å; Y293-F936 AromaticContact CE2-CE2 3.56Å; Y293-F936 HydrophobicContact CE2-CE2 3.56Å; Y293-F936 AromaticContact CE2-CZ 3.56Å; Y293-F936 HydrophobicContact CE2-CZ 3.56Å; F858-F936 HydrophobicContact CD2-CE2 4.46Å; S932-F936 PolarHBondContact O-N 3.32Å; F933-F936 HydrophobicContact CD2-CD1 4.31Å; F933-F936 HydrophobicContact CE2-CD1 4.41Å; R934-F936 VanDerWaalsContact C-N 3.33Å; F936-Y938 VanDerWaalsContact C-N 3.32Å; F936-Y938 PolarHBondContact O-N 3.16Å; F936-W939 PolarHBondContact O-N 3.14Å; F936-T940 WeakPolarHBondContact O-CB 3.41Å; F936-T940 PolarHBondContact O-N 3.25Å; F936-T940 PolarHBondContact O-OG1 3.07Å |
| 937 | L | 94.3 | Very high | 92.5 | Very high | 82 Ų | 82 | 55.4 Ų | 55.4 | 43% | 0.429 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 178.9 | -176.4 | 62.9 | 0 | 0 | 0 | 111.6 | F933 R934 T935 T940 M941 | F933-L937 WeakPolarHBondContact O-CB 3.4Å; F933-L937 PolarHBondContact O-N 2.6Å; R934-L937 PolarHBondContact O-N 2.72Å; T935-L937 PolarHBondContact O-N 3.19Å; L937-T940 PolarHBondContact O-N 3.08Å; L937-M941 HydrophobicContact CD1-CG 4.14Å; L937-M941 HydrophobicContact CG-CG 4.32Å; L937-M941 WeakPolarHBondContact O-CB 3.47Å; L937-M941 VanDerWaalsContact O-CG 3.29Å; L937-M941 WeakPolarHBondContact O-CG 3.3Å; L937-M941 PolarHBondContact O-N 3.41Å |
| 938 | Y | 93.9 | Very high | 93.1 | Very high | 76 Ų | 76 | 52.2 Ų | 52.2 | 30% | 0.298 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.2 | -50 | 175.7 | 164.4 | -106.4 | 0 | 0 | 0 | 112.2 | R934 T935 F936 T940 M941 L942 E1070 K1073 | R934-Y938 PolarHBondContact O-N 3.24Å; R934-Y938 VanDerWaalsContact O-N 3.07Å; T935-Y938 WeakPolarHBondContact O-CB 3.17Å; T935-Y938 PolarHBondContact O-N 3.4Å; F936-Y938 VanDerWaalsContact C-N 3.32Å; F936-Y938 PolarHBondContact O-N 3.16Å; Y938-T940 VanDerWaalsContact C-N 3.27Å; Y938-T940 PolarHBondContact O-N 2.9Å; Y938-M941 PolarHBondContact O-N 3.43Å; Y938-L942 VanDerWaalsContact O-CB 3.31Å; Y938-L942 WeakPolarHBondContact O-CB 3.31Å; Y938-L942 PolarHBondContact O-N 3.26Å; Y938-E1070 PolarHBondContact OH-OE1 3.47Å; Y938-E1070 PolarHBondContact OH-OE2 2.92Å; Y938-K1073 PolarHBondContact OH-NZ 3.39Å |
| 939 | W | 95.2 | Very high | 93.5 | Very high | 22 Ų | 22 | 53.1 Ų | 53.1 | 8% | 0.083 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.2 | -35.9 | 177.9 | -79.6 | 98.6 | 0 | 0 | 0 | 112.5 | Q855 Y859 T935 F936 L942 G943 K999 E1003 | Q855-W939 HydrophobicContact CB-CD2 4.12Å; Q855-W939 HydrophobicContact CB-CG 3.99Å; Y859-W939 HydrophobicContact CD1-CE3 4.39Å; Y859-W939 HydrophobicContact CD1-CZ3 4.31Å; Y859-W939 HydrophobicContact CD2-CE3 4.19Å; Y859-W939 AromaticContact CG-CE3 3.85Å; Y859-W939 HydrophobicContact CG-CE3 3.85Å; Y859-W939 HydrophobicContact CG-CZ3 4.21Å; T935-W939 VanDerWaalsContact O-CD1 3.23Å; T935-W939 PolarHBondContact O-N 3.32Å; T935-W939 VanDerWaalsContact O-N 3.08Å; F936-W939 PolarHBondContact O-N 3.14Å; W939-L942 HydrophobicContact CE3-CD2 4.49Å; W939-G943 PolarHBondContact O-N 3.47Å; W939-K999 VanDerWaalsContact CZ3-NZ 3.32Å; W939-E1003 HydrophobicContact CH2-CG 4Å |
| 940 | T | 94.6 | Very high | 93.9 | Very high | 7 Ų | 7 | 51 Ų | 51 | 4% | 0.043 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.6 | -49.6 | 177.2 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | Y293 F936 L937 Y938 L942 G943 F944 | Y293-T940 HydrophobicContact CE1-CG2 4.49Å; Y293-T940 PolarHBondContact OH-OG1 2.87Å; Y293-T940 VanDerWaalsContact OH-OG1 3.13Å; F936-T940 WeakPolarHBondContact O-CB 3.41Å; F936-T940 PolarHBondContact O-N 3.25Å; F936-T940 PolarHBondContact O-OG1 3.07Å; L937-T940 PolarHBondContact O-N 3.08Å; Y938-T940 VanDerWaalsContact C-N 3.27Å; Y938-T940 PolarHBondContact O-N 2.9Å; T940-L942 VanDerWaalsContact C-N 3.3Å; T940-L942 PolarHBondContact O-N 2.96Å; T940-G943 PolarHBondContact O-N 3.18Å; T940-G943 VanDerWaalsContact O-N 3.11Å; T940-F944 HydrophobicContact CG2-CD2 4.02Å; T940-F944 HydrophobicContact CG2-CE2 3.63Å; T940-F944 VanDerWaalsContact O-CD2 3.3Å; T940-F944 WeakPolarHBondContact O-CD2 3.3Å; T940-F944 PolarHBondContact O-N 3.47Å |
| 941 | M | 95.1 | Very high | 94.2 | Very high | 109 Ų | 109 | 48.2 Ų | 48.2 | 54% | 0.537 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65 | -35 | 178.2 | -67.2 | -61.2 | -81 | 0 | 0 | 112.3 | L937 Y938 G943 F944 T945 | L937-M941 HydrophobicContact CD1-CG 4.14Å; L937-M941 HydrophobicContact CG-CG 4.32Å; L937-M941 WeakPolarHBondContact O-CB 3.47Å; L937-M941 VanDerWaalsContact O-CG 3.29Å; L937-M941 WeakPolarHBondContact O-CG 3.3Å; L937-M941 PolarHBondContact O-N 3.41Å; Y938-M941 PolarHBondContact O-N 3.43Å; M941-G943 VanDerWaalsContact C-N 3.34Å; M941-F944 PolarHBondContact O-N 3.3Å; M941-F944 HydrophobicContact SD-CD2 4.43Å; M941-T945 WeakPolarHBondContact O-CB 3.45Å; M941-T945 PolarHBondContact O-N 3.4Å; M941-T945 PolarHBondContact O-OG1 2.8Å |
| 942 | L | 95.1 | Very high | 94.4 | Very high | 15 Ų | 15 | 51.7 Ų | 51.7 | 8% | 0.079 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.8 | -43.9 | 171.8 | -176.1 | 66.6 | 0 | 0 | 0 | 111.2 | Y859 Y938 W939 T940 T945 H946 E1070 | Y859-L942 HydrophobicContact CD2-CB 4.48Å; Y859-L942 HydrophobicContact CD2-CD2 4.35Å; Y859-L942 HydrophobicContact CD2-CG 4.35Å; Y859-L942 HydrophobicContact CE2-CD2 4.08Å; Y859-L942 HydrophobicContact CE2-CG 3.96Å; Y938-L942 VanDerWaalsContact O-CB 3.31Å; Y938-L942 WeakPolarHBondContact O-CB 3.31Å; Y938-L942 PolarHBondContact O-N 3.26Å; W939-L942 HydrophobicContact CE3-CD2 4.49Å; T940-L942 VanDerWaalsContact C-N 3.3Å; T940-L942 PolarHBondContact O-N 2.96Å; L942-T945 PolarHBondContact O-N 3.43Å; L942-H946 WeakPolarHBondContact CD1-NE2 3.45Å; L942-H946 PolarHBondContact O-N 2.73Å; L942-E1070 HydrophobicContact CD1-CG 3.82Å; L942-E1070 WeakPolarHBondContact CD1-OE1 3.36Å; L942-E1070 HydrophobicContact CD2-CG 4.22Å; L942-E1070 WeakPolarHBondContact CD2-OE2 3.39Å |
| 943 | G | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.4 | -46.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | W939 T940 M941 H946 A947 | W939-G943 PolarHBondContact O-N 3.47Å; T940-G943 PolarHBondContact O-N 3.18Å; T940-G943 VanDerWaalsContact O-N 3.11Å; M941-G943 VanDerWaalsContact C-N 3.34Å; G943-H946 PolarHBondContact O-N 3.13Å; G943-A947 WeakPolarHBondContact O-CB 3.47Å; G943-A947 PolarHBondContact O-N 2.64Å |
| 944 | F | 95.5 | Very high | 94.2 | Very high | 43 Ų | 43 | 44.8 Ų | 44.8 | 19% | 0.189 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.4 | -51.2 | 173.5 | -75.8 | -62.6 | 0 | 0 | 0 | 110.8 | V862 T866 T940 M941 H946 A947 F948 | V862-F944 HydrophobicContact CG1-CD1 3.82Å; V862-F944 HydrophobicContact CG1-CD2 4.13Å; V862-F944 HydrophobicContact CG1-CE1 3.96Å; V862-F944 HydrophobicContact CG1-CE2 4.27Å; V862-F944 HydrophobicContact CG1-CG 3.9Å; V862-F944 HydrophobicContact CG1-CZ 4.18Å; T866-F944 HydrophobicContact CG2-CD1 3.87Å; T866-F944 HydrophobicContact CG2-CE1 4.39Å; T866-F944 WeakPolarHBondContact OG1-CD1 3.29Å; T866-F944 WeakPolarHBondContact OG1-CE1 3.36Å; T940-F944 HydrophobicContact CG2-CD2 4.02Å; T940-F944 HydrophobicContact CG2-CE2 3.63Å; T940-F944 VanDerWaalsContact O-CD2 3.3Å; T940-F944 WeakPolarHBondContact O-CD2 3.3Å; T940-F944 PolarHBondContact O-N 3.47Å; M941-F944 PolarHBondContact O-N 3.3Å; M941-F944 HydrophobicContact SD-CD2 4.43Å; F944-H946 VanDerWaalsContact C-N 3.32Å; F944-H946 PolarHBondContact O-N 2.92Å; F944-A947 WeakPolarHBondContact O-CB 3.44Å; F944-A947 PolarHBondContact O-N 2.83Å; F944-A947 VanDerWaalsContact O-N 3.09Å; F944-F948 HydrophobicContact CB-CD2 4.47Å; F944-F948 WeakPolarHBondContact O-CD2 3.49Å; F944-F948 PolarHBondContact O-N 2.74Å |
| 945 | T | 95.4 | Very high | 94 | Very high | 82 Ų | 82 | 39.1 Ų | 39.1 | 50% | 0.503 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -55.7 | -46.1 | -178.6 | -55.3 | 0 | 0 | 0 | 0 | 111.9 | M941 L942 F948 V949 | M941-T945 WeakPolarHBondContact O-CB 3.45Å; M941-T945 PolarHBondContact O-N 3.4Å; M941-T945 PolarHBondContact O-OG1 2.8Å; L942-T945 PolarHBondContact O-N 3.43Å; T945-F948 PolarHBondContact O-N 3.2Å; T945-V949 WeakPolarHBondContact O-CG2 3.2Å; T945-V949 PolarHBondContact O-N 3.35Å; T945-V949 VanDerWaalsContact O-N 3.14Å |
| 946 | H | 96.7 | Very high | 93.7 | Very high | 6 Ų | 6 | 43.7 Ų | 43.7 | 3% | 0.028 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.7 | -43.4 | 176.9 | -72.1 | -173.6 | 0 | 0 | 0 | 112.2 | Y859 L942 G943 F944 F948 V949 F950 C1066 | Y859-H946 AromaticContact CE2-ND1 3.66Å; Y859-H946 AromaticContact CZ-ND1 3.62Å; Y859-H946 PolarHBondContact OH-CE1 3.01Å; Y859-H946 PolarHBondContact OH-ND1 3.44Å; L942-H946 WeakPolarHBondContact CD1-NE2 3.45Å; L942-H946 PolarHBondContact O-N 2.73Å; G943-H946 PolarHBondContact O-N 3.13Å; F944-H946 VanDerWaalsContact C-N 3.32Å; F944-H946 PolarHBondContact O-N 2.92Å; H946-F948 VanDerWaalsContact C-N 3.34Å; H946-F948 PolarHBondContact O-N 2.88Å; H946-V949 PolarHBondContact O-N 2.81Å; H946-V949 VanDerWaalsContact O-N 3.15Å; H946-F950 HydrophobicContact CB-CE1 4.35Å; H946-F950 HydrophobicContact CB-CE2 4.04Å; H946-F950 HydrophobicContact CB-CZ 3.78Å; H946-F950 VanDerWaalsContact O-CD1 3.3Å; H946-F950 WeakPolarHBondContact O-CD1 3.48Å; H946-F950 WeakPolarHBondContact O-CD2 3.48Å; H946-F950 WeakPolarHBondContact O-CG 3.49Å; H946-F950 PolarHBondContact O-N 3.18Å; H946-C1066 PolarHBondContact NE2-O 3.33Å; H946-C1066 VanDerWaalsContact NE2-O 3.13Å |
| 947 | A | 96.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.4 | -41.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T866 P867 G943 F944 V949 F950 F951 | T866-A947 VanDerWaalsContact CB-CB 3.43Å; T866-A947 HydrophobicContact CG2-CB 3.57Å; P867-A947 HydrophobicContact CG-CB 3.97Å; G943-A947 WeakPolarHBondContact O-CB 3.47Å; G943-A947 PolarHBondContact O-N 2.64Å; F944-A947 WeakPolarHBondContact O-CB 3.44Å; F944-A947 PolarHBondContact O-N 2.83Å; F944-A947 VanDerWaalsContact O-N 3.09Å; A947-V949 VanDerWaalsContact C-N 3.32Å; A947-V949 PolarHBondContact O-N 2.79Å; A947-F950 PolarHBondContact O-N 2.94Å; A947-F951 PolarHBondContact O-N 3.49Å |
| 948 | F | 95.9 | Very high | 91.8 | Very high | 93 Ų | 93 | 44.3 Ų | 44.3 | 41% | 0.408 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.6 | -45.6 | 174.1 | -88.3 | -82.7 | 0 | 0 | 0 | 110.8 | T866 L870 F944 T945 H946 F951 F952 | T866-F948 HydrophobicContact CG2-CE2 4.45Å; L870-F948 HydrophobicContact CD1-CD1 3.95Å; L870-F948 HydrophobicContact CD1-CE1 4.04Å; L870-F948 HydrophobicContact CD1-CG 4.34Å; L870-F948 HydrophobicContact CD2-CD1 4.47Å; L870-F948 HydrophobicContact CD2-CE1 3.75Å; L870-F948 HydrophobicContact CD2-CZ 4.02Å; F944-F948 HydrophobicContact CB-CD2 4.47Å; F944-F948 WeakPolarHBondContact O-CD2 3.49Å; F944-F948 PolarHBondContact O-N 2.74Å; T945-F948 PolarHBondContact O-N 3.2Å; H946-F948 VanDerWaalsContact C-N 3.34Å; H946-F948 PolarHBondContact O-N 2.88Å; F948-F951 PolarHBondContact O-N 3.41Å; F948-F952 AromaticContact CD1-CD2 3.86Å; F948-F952 HydrophobicContact CD1-CD2 3.86Å; F948-F952 AromaticContact CD1-CE2 3.57Å; F948-F952 HydrophobicContact CD1-CE2 3.57Å; F948-F952 AromaticContact CE1-CE2 3.95Å; F948-F952 HydrophobicContact CE1-CE2 3.95Å; F948-F952 WeakPolarHBondContact O-CB 3.26Å; F948-F952 WeakPolarHBondContact O-CD2 3.45Å; F948-F952 PolarHBondContact O-N 2.99Å |
| 949 | V | 95.8 | Very high | 90.2 | Very high | 42 Ų | 42 | 42.4 Ų | 42.4 | 26% | 0.255 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66.7 | -38.1 | 177.8 | 177.2 | 0 | 0 | 0 | 0 | 111.8 | T945 H946 A947 G953 I1062 T1065 C1066 | T945-V949 WeakPolarHBondContact O-CG2 3.2Å; T945-V949 PolarHBondContact O-N 3.35Å; T945-V949 VanDerWaalsContact O-N 3.14Å; H946-V949 PolarHBondContact O-N 2.81Å; H946-V949 VanDerWaalsContact O-N 3.15Å; A947-V949 VanDerWaalsContact C-N 3.32Å; A947-V949 PolarHBondContact O-N 2.79Å; V949-G953 VanDerWaalsContact O-CA 3.25Å; V949-G953 WeakPolarHBondContact O-CA 3.45Å; V949-G953 PolarHBondContact O-N 3.04Å; V949-I1062 HydrophobicContact CG1-CG2 4Å; V949-T1065 HydrophobicContact CG1-CG2 4.16Å; V949-C1066 WeakPolarHBondContact CG1-SG 3.47Å |
| 950 | F | 94.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.5 | -49.4 | 175.5 | -57.4 | -27.5 | 0 | 0 | 0 | 111.8 | C863 H946 A947 S954 V988 V991 M992 T995 I1062 C1066 | C863-F950 HydrophobicContact CB-CE2 4.06Å; H946-F950 HydrophobicContact CB-CE1 4.35Å; H946-F950 HydrophobicContact CB-CE2 4.04Å; H946-F950 HydrophobicContact CB-CZ 3.78Å; H946-F950 VanDerWaalsContact O-CD1 3.3Å; H946-F950 WeakPolarHBondContact O-CD1 3.48Å; H946-F950 WeakPolarHBondContact O-CD2 3.48Å; H946-F950 WeakPolarHBondContact O-CG 3.49Å; H946-F950 PolarHBondContact O-N 3.18Å; A947-F950 PolarHBondContact O-N 2.94Å; F950-S954 VanDerWaalsContact O-CB 3.3Å; F950-S954 WeakPolarHBondContact O-CB 3.45Å; F950-S954 PolarHBondContact O-N 3.5Å; F950-S954 PolarHBondContact O-OG 2.75Å; F950-V988 HydrophobicContact CB-CG1 4.28Å; F950-V991 HydrophobicContact CD1-CG1 3.61Å; F950-V991 HydrophobicContact CE1-CG1 4.05Å; F950-V991 HydrophobicContact CG-CG1 4.4Å; F950-M992 HydrophobicContact CD2-CB 4Å; F950-M992 HydrophobicContact CD2-CG 4.22Å; F950-M992 HydrophobicContact CE2-CB 4.06Å; F950-M992 HydrophobicContact CE2-CG 3.98Å; F950-T995 HydrophobicContact CE1-CG2 3.7Å; F950-T995 WeakPolarHBondContact CE1-OG1 3.43Å; F950-T995 HydrophobicContact CZ-CG2 3.62Å; F950-I1062 HydrophobicContact CD1-CG2 4.32Å; F950-C1066 HydrophobicContact CE1-CB 4.28Å; F950-C1066 WeakPolarHBondContact CE1-SG 3.12Å |
| 951 | F | 95 | Very high | 86.3 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.3 | -57.7 | -176.6 | -175 | -88.1 | 0 | 0 | 0 | 111.3 | P867 L870 Y871 F874 A947 F948 S954 Y955 F984 | P867-F951 HydrophobicContact CB-CB 4.21Å; P867-F951 HydrophobicContact CB-CD2 4.14Å; L870-F951 HydrophobicContact CB-CD1 4.03Å; L870-F951 HydrophobicContact CB-CD2 4.11Å; L870-F951 HydrophobicContact CB-CE1 4.26Å; L870-F951 HydrophobicContact CB-CE2 4.3Å; L870-F951 HydrophobicContact CB-CG 3.97Å; L870-F951 HydrophobicContact CB-CZ 4.39Å; L870-F951 HydrophobicContact CD1-CB 3.86Å; L870-F951 HydrophobicContact CD1-CD1 4.17Å; L870-F951 HydrophobicContact CD1-CG 4.02Å; Y871-F951 HydrophobicContact CD2-CE2 4.02Å; Y871-F951 HydrophobicContact CD2-CZ 4.32Å; Y871-F951 HydrophobicContact CG-CE2 4.4Å; F874-F951 AromaticContact CD2-CE1 3.77Å; F874-F951 HydrophobicContact CD2-CE1 3.77Å; F874-F951 AromaticContact CD2-CZ 3.46Å; F874-F951 HydrophobicContact CD2-CZ 3.46Å; F874-F951 VanDerWaalsContact CD2-CZ 3.46Å; F874-F951 HydrophobicContact CE2-CD1 4.41Å; F874-F951 AromaticContact CE2-CE1 3.22Å; F874-F951 HydrophobicContact CE2-CE1 3.22Å; F874-F951 AromaticContact CE2-CZ 3.46Å; F874-F951 HydrophobicContact CE2-CZ 3.46Å; F874-F951 VanDerWaalsContact CE2-CZ 3.46Å; F874-F951 HydrophobicContact CG-CZ 4.37Å; F874-F951 AromaticContact CZ-CE1 3.84Å; F874-F951 HydrophobicContact CZ-CE1 3.84Å; F874-F951 HydrophobicContact CZ-CZ 4.33Å; A947-F951 PolarHBondContact O-N 3.49Å; F948-F951 PolarHBondContact O-N 3.41Å; F951-S954 PolarHBondContact O-N 2.87Å; F951-Y955 WeakPolarHBondContact O-CB 3.24Å; F951-Y955 PolarHBondContact O-N 2.99Å; F951-F984 HydrophobicContact CD2-CE1 4.28Å; F951-F984 HydrophobicContact CD2-CZ 4.1Å; F951-F984 AromaticContact CE2-CE1 3.74Å; F951-F984 HydrophobicContact CE2-CE1 3.74Å; F951-F984 AromaticContact CE2-CZ 3.81Å; F951-F984 HydrophobicContact CE2-CZ 3.81Å; F951-F984 HydrophobicContact CZ-CE1 4.29Å; F951-F984 HydrophobicContact CZ-CZ 4.14Å |
| 952 | F | 93.5 | Very high | 84.4 | Confident | 78 Ų | 78 | 54.1 Ų | 54.1 | 34% | 0.342 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -71 | -33.3 | -176.3 | -73.8 | -73.2 | 0 | 0 | 0 | 112.6 | L870 F874 F948 S954 Y955 L956 | L870-F952 HydrophobicContact CD1-CE2 4.06Å; L870-F952 HydrophobicContact CD2-CE2 4.45Å; F874-F952 HydrophobicContact CZ-CE1 4.18Å; F948-F952 AromaticContact CD1-CD2 3.86Å; F948-F952 HydrophobicContact CD1-CD2 3.86Å; F948-F952 AromaticContact CD1-CE2 3.57Å; F948-F952 HydrophobicContact CD1-CE2 3.57Å; F948-F952 AromaticContact CE1-CE2 3.95Å; F948-F952 HydrophobicContact CE1-CE2 3.95Å; F948-F952 WeakPolarHBondContact O-CB 3.26Å; F948-F952 WeakPolarHBondContact O-CD2 3.45Å; F948-F952 PolarHBondContact O-N 2.99Å; F952-S954 VanDerWaalsContact C-N 3.33Å; F952-S954 PolarHBondContact O-N 3.42Å; F952-Y955 PolarHBondContact O-N 2.91Å; F952-L956 WeakPolarHBondContact O-CB 3.34Å; F952-L956 VanDerWaalsContact O-CG 3.25Å; F952-L956 WeakPolarHBondContact O-CG 3.29Å; F952-L956 PolarHBondContact O-N 3.29Å |
| 953 | G | 90.2 | Very high | 82.3 | Confident | 23 Ų | 23 | 56.9 Ų | 56.9 | 24% | 0.237 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V949 L957 | V949-G953 VanDerWaalsContact O-CA 3.25Å; V949-G953 WeakPolarHBondContact O-CA 3.45Å; V949-G953 PolarHBondContact O-N 3.04Å; G953-L957 PolarHBondContact O-N 3.14Å |
| 954 | S | 88.8 | Confident | 80.1 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -73.3 | -35.6 | 174.7 | -54.4 | 0 | 0 | 0 | 0 | 112.1 | F950 F951 F952 L957 M958 | F950-S954 VanDerWaalsContact O-CB 3.3Å; F950-S954 WeakPolarHBondContact O-CB 3.45Å; F950-S954 PolarHBondContact O-N 3.5Å; F950-S954 PolarHBondContact O-OG 2.75Å; F951-S954 PolarHBondContact O-N 2.87Å; F952-S954 VanDerWaalsContact C-N 3.33Å; F952-S954 PolarHBondContact O-N 3.42Å; S954-L957 WeakPolarHBondContact O-CB 3.39Å; S954-L957 PolarHBondContact O-N 3.26Å; S954-M958 PolarHBondContact O-N 3.04Å |
| 955 | Y | 87.4 | Confident | 78.1 | Confident | 99 Ų | 99 | 61.5 Ų | 61.5 | 39% | 0.388 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.6 | -46.5 | 179.1 | 178.4 | -96.1 | 0 | 0 | 0 | 111.4 | F874 F951 F952 L957 M958 G959 | F874-Y955 AromaticContact CD1-CE2 3.92Å; F874-Y955 HydrophobicContact CD1-CE2 3.92Å; F874-Y955 HydrophobicContact CE1-CD2 4.28Å; F874-Y955 HydrophobicContact CE1-CE1 4.43Å; F874-Y955 AromaticContact CE1-CE2 3.66Å; F874-Y955 HydrophobicContact CE1-CE2 3.66Å; F874-Y955 AromaticContact CE1-CZ 3.76Å; F874-Y955 HydrophobicContact CZ-CE2 4.41Å; F951-Y955 WeakPolarHBondContact O-CB 3.24Å; F951-Y955 PolarHBondContact O-N 2.99Å; F952-Y955 PolarHBondContact O-N 2.91Å; Y955-L957 PolarHBondContact O-N 3.33Å; Y955-M958 CarbonylContact O-C 3.58Å; Y955-M958 PolarHBondContact O-N 3.39Å; Y955-M958 VanDerWaalsContact O-N 3.11Å; Y955-G959 WeakPolarHBondContact O-CA 3.29Å; Y955-G959 PolarHBondContact O-N 3.27Å |
| 956 | L | 84.3 | Confident | 76 | Confident | 135 Ų | 135 | 60.8 Ų | 60.8 | 71% | 0.707 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60.7 | -34.8 | 176.8 | -71.3 | 171.3 | 0 | 0 | 0 | 112.1 | F952 M958 G959 | F952-L956 WeakPolarHBondContact O-CB 3.34Å; F952-L956 VanDerWaalsContact O-CG 3.25Å; F952-L956 WeakPolarHBondContact O-CG 3.29Å; F952-L956 PolarHBondContact O-N 3.29Å; L956-M958 VanDerWaalsContact C-N 3.32Å; L956-M958 PolarHBondContact O-N 2.93Å; L956-G959 PolarHBondContact O-N 3.49Å |
| 957 | L | 75.8 | Confident | 73.6 | Confident | 43 Ų | 43 | 66.4 Ų | 66.4 | 23% | 0.225 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.7 | -38.1 | 175.9 | -174.4 | 72.4 | 0 | 0 | 0 | 112.3 | G953 S954 Y955 M965 L987 A1058 | G953-L957 PolarHBondContact O-N 3.14Å; S954-L957 WeakPolarHBondContact O-CB 3.39Å; S954-L957 PolarHBondContact O-N 3.26Å; Y955-L957 PolarHBondContact O-N 3.33Å; L957-M965 HydrophobicContact CD2-CE 4.4Å; L957-M965 HydrophobicContact CD2-SD 4.42Å; L957-L987 HydrophobicContact CD2-CD2 3.79Å; L957-A1058 HydrophobicContact CD1-CB 3.65Å; L957-A1058 HydrophobicContact CD2-CB 3.29Å; L957-A1058 HydrophobicContact CG-CB 4.03Å |
| 958 | M | 72.5 | Confident | 71.3 | Confident | 56 Ų | 56 | 70 Ų | 70 | 28% | 0.276 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -92.8 | -7.5 | -177.6 | -69.8 | -174.9 | 59.8 | 0 | 0 | 113.4 | S954 Y955 L956 F979 F984 | S954-M958 PolarHBondContact O-N 3.04Å; Y955-M958 CarbonylContact O-C 3.58Å; Y955-M958 PolarHBondContact O-N 3.39Å; Y955-M958 VanDerWaalsContact O-N 3.11Å; L956-M958 VanDerWaalsContact C-N 3.32Å; L956-M958 PolarHBondContact O-N 2.93Å; M958-F979 HydrophobicContact CE-CB 3.41Å; M958-F979 VanDerWaalsContact CE-CB 3.41Å; M958-F979 HydrophobicContact CE-CG 4.28Å; M958-F984 HydrophobicContact CE-CB 4.05Å; M958-F984 HydrophobicContact SD-CB 3.78Å; M958-F984 HydrophobicContact SD-CD2 3.6Å; M958-F984 VanDerWaalsContact SD-CD2 3.6Å; M958-F984 HydrophobicContact SD-CG 4.17Å |
| 959 | G | 61 | Low | 68.8 | Low | 36 Ų | 36 | 75 Ų | 75 | 37% | 0.371 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -82.7 | -22.8 | -155.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | Y955 L956 | Y955-G959 WeakPolarHBondContact O-CA 3.29Å; Y955-G959 PolarHBondContact O-N 3.27Å; L956-G959 PolarHBondContact O-N 3.49Å |
| 960 | E | 54.7 | Low | 66.2 | Low | 188 Ų | 188 | 80.3 Ų | 80.3 | 88% | 0.879 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -143.9 | -23.8 | -173.7 | -69.5 | -175.4 | 161.4 | 0 | 0 | 115.4 | ||
| 961 | D | 53.6 | Low | 63.8 | Low | 101 Ų | 101 | 87.9 Ų | 87.9 | 54% | 0.54 | 49% | 0.487 | S | S | . | . | trans | -138.7 | 92.1 | -177.6 | -92.8 | -42.8 | 0 | 0 | 0 | 111.9 | S963 L964 | D961-S963 PolarHBondContact O-N 3.01Å; D961-L964 PolarHBondContact O-N 3.34Å | ||
| 962 | T | 54.2 | Low | 61.2 | Low | 95 Ų | 95 | 100 Ų | 100 | 58% | 0.583 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -63.5 | -5 | 172.9 | -21.8 | 0 | 0 | 0 | 0 | 112.8 | F979 | T962-F979 HydrophobicContact CG2-CD2 4.46Š|
| 963 | S | 52 | Low | 58.5 | Low | 74 Ų | 74 | 100.8 Ų | 100.8 | 52% | 0.517 | 55% | 0.553 | S | S | . | * | G | 310 helix | trans | -70.5 | -31 | 177.2 | 62.8 | 0 | 0 | 0 | 0 | 113.2 | D961 M965 S966 | D961-S963 PolarHBondContact O-N 3.01Å; S963-M965 VanDerWaalsContact C-N 3.25Å; S963-M965 PolarHBondContact O-N 2.88Å; S963-S966 PolarHBondContact O-N 3.17Å |
| 964 | L | 49.6 | Very low | 56.1 | Low | 122 Ų | 122 | 104.1 Ų | 104.1 | 64% | 0.639 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -69.3 | -19 | 178.4 | -101.4 | 149.6 | 0 | 0 | 0 | 113.7 | D961 S1054 | D961-L964 PolarHBondContact O-N 3.34Å; L964-S1054 VanDerWaalsContact O-CB 3.22Å; L964-S1054 WeakPolarHBondContact O-CB 3.34Å; L964-S1054 PolarHBondContact O-OG 2.91Å |
| 965 | M | 53.6 | Low | 53.7 | Low | 18 Ų | 18 | 116 Ų | 116 | 9% | 0.089 | 61% | 0.611 | C | S | . | * | G | 310 helix | trans | -98.3 | 1.2 | 177.6 | -66.8 | -170.3 | 87.5 | 0 | 0 | 114.3 | L957 S963 F979 C1052 S1054 A1055 | L957-M965 HydrophobicContact CD2-CE 4.4Å; L957-M965 HydrophobicContact CD2-SD 4.42Å; S963-M965 VanDerWaalsContact C-N 3.25Å; S963-M965 PolarHBondContact O-N 2.88Å; M965-F979 HydrophobicContact CB-CE2 3.67Å; M965-F979 HydrophobicContact CB-CZ 4.2Å; M965-F979 HydrophobicContact CE-CE1 4.07Å; M965-F979 HydrophobicContact CE-CE2 3.87Å; M965-F979 HydrophobicContact CE-CZ 3.54Å; M965-F979 HydrophobicContact CG-CE2 4.24Å; M965-F979 HydrophobicContact SD-CD2 4.04Å; M965-F979 HydrophobicContact SD-CE2 3.57Å; M965-F979 VanDerWaalsContact SD-CE2 3.57Å; M965-F979 HydrophobicContact SD-CZ 3.92Å; M965-C1052 VanDerWaalsContact CB-SG 3.58Å; M965-C1052 HydrophobicContact CE-CB 4.25Å; M965-C1052 VanDerWaalsContact CE-SG 3.55Å; M965-C1052 PolarHBondContact O-SG 3.27Å; M965-S1054 VanDerWaalsContact CA-OG 3.27Å; M965-S1054 WeakPolarHBondContact CA-OG 3.41Å; M965-S1054 WeakPolarHBondContact CG-OG 3.49Å; M965-A1055 HydrophobicContact CE-CB 3.73Å |
| 966 | S | 49.4 | Very low | 51.4 | Low | 66 Ų | 66 | 119.7 Ų | 119.7 | 46% | 0.462 | 63% | 0.632 | S | S | . | * | trans | -97.9 | 121.5 | 178.8 | 111.5 | 0 | 0 | 0 | 0 | 110.9 | S963 G968 | S963-S966 PolarHBondContact O-N 3.17Å; S966-G968 PolarHBondContact O-N 3.07Å; S966-G968 VanDerWaalsContact O-N 3.16Å | ||
| 967 | N | 46.8 | Very low | 49.7 | Very low | 124 Ų | 124 | 117.7 Ų | 117.7 | 66% | 0.663 | 62% | 0.621 | S | S | * | * | trans | -63.6 | 112.7 | 152.6 | -68.9 | -14.7 | 0 | 0 | 0 | 105.7 | Q969 | N967-Q969 PolarHBondContact O-N 3.14Š| ||
| 968 | G | 48.4 | Very low | 48.7 | Very low | 77 Ų | 77 | 123 Ų | 123 | 79% | 0.794 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | 34.5 | -169.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | S966 | S966-G968 PolarHBondContact O-N 3.07Å; S966-G968 VanDerWaalsContact O-N 3.16Å |
| 969 | Q | 43.5 | Very low | 48.4 | Very low | 197 Ų | 197 | 122.3 Ų | 122.3 | 92% | 0.921 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.3 | 4.3 | -179.7 | -106.1 | -175.6 | -11.6 | 0 | 0 | 115.6 | N967 | N967-Q969 PolarHBondContact O-N 3.14Š|
| 970 | M | 41.7 | Very low | 49.2 | Very low | 153 Ų | 153 | 122.1 Ų | 122.1 | 75% | 0.754 | 64% | 0.64 | S | S | * | * | trans | -117 | 33.3 | 176.9 | -146.1 | 179.2 | -151.8 | 0 | 0 | 113.9 | R972 | M970-R972 PolarHBondContact O-N 3.21Š| ||
| 971 | L | 44.8 | Very low | 50.7 | Low | 159 Ų | 159 | 116.1 Ų | 116.1 | 83% | 0.832 | 61% | 0.614 | S | S | * | * | trans | -97.1 | 87.6 | 174.2 | -150.9 | 89.8 | 0 | 0 | 0 | 109.7 | ||||
| 972 | R | 39 | Very low | 52.3 | Low | 256 Ų | 256 | 113.2 Ų | 113.2 | 97% | 0.966 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -173.7 | -15.3 | 149.5 | -103.3 | 157.3 | -168 | 158.4 | 4.5 | 117 | M970 | M970-R972 PolarHBondContact O-N 3.21Š|
| 973 | A | 37.1 | Very low | 53.9 | Low | 94 Ų | 94 | 108.9 Ų | 108.9 | 78% | 0.777 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -113.9 | -30.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 974 | N | 39.9 | Very low | 55.7 | Low | 94 Ų | 94 | 106.2 Ų | 106.2 | 50% | 0.503 | 55% | 0.548 | S | S | . | . | trans | -120.8 | 89.2 | -177.8 | -78.8 | -29.5 | 0 | 0 | 0 | 111.8 | Q976 L977 | N974-Q976 PolarHBondContact O-N 2.96Å; N974-Q976 VanDerWaalsContact O-N 3.08Å; N974-L977 HydrophobicContact CB-CD1 3.79Å | ||
| 975 | R | 37.9 | Very low | 57.7 | Low | 250 Ų | 250 | 100.4 Ų | 100.4 | 94% | 0.943 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | 8.6 | 167.8 | -161.3 | -176 | -87.3 | -156 | -4.3 | 112.6 | ||
| 976 | Q | 39.5 | Very low | 59.5 | Low | 176 Ų | 176 | 99.6 Ų | 99.6 | 82% | 0.822 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -0.3 | -171.5 | -105 | 172.4 | -22.1 | 0 | 0 | 115.4 | N974 M978 | N974-Q976 PolarHBondContact O-N 2.96Å; N974-Q976 VanDerWaalsContact O-N 3.08Å; Q976-M978 VanDerWaalsContact C-N 3.34Å; Q976-M978 PolarHBondContact O-N 3.37Å |
| 977 | L | 48 | Very low | 61.5 | Low | 92 Ų | 92 | 96.5 Ų | 96.5 | 48% | 0.482 | 49% | 0.492 | S | S | . | . | trans | -92.1 | 53.7 | 176.7 | -78.7 | 110.1 | 0 | 0 | 0 | 112.5 | N974 Q1048 | N974-L977 HydrophobicContact CB-CD1 3.79Å; L977-Q1048 HydrophobicContact CD2-CG 4.21Å | ||
| 978 | M | 55.4 | Low | 63.7 | Low | 155 Ų | 155 | 90.6 Ų | 90.6 | 76% | 0.764 | 46% | 0.461 | S | S | * | . | trans | -79.7 | 135 | 166.5 | -65.9 | -175.3 | 79.1 | 0 | 0 | 108.8 | Q976 G980 | Q976-M978 VanDerWaalsContact C-N 3.34Å; Q976-M978 PolarHBondContact O-N 3.37Å; M978-G980 PolarHBondContact O-N 3.37Å | ||
| 979 | F | 66.6 | Low | 65.9 | Low | 41 Ų | 41 | 86.9 Ų | 86.9 | 18% | 0.18 | 42% | 0.423 | C | S | . | . | trans | -65 | 115.3 | 174.1 | -73.3 | -75 | 0 | 0 | 0 | 109.6 | M958 T962 M965 T983 Q1048 C1052 | M958-F979 HydrophobicContact CE-CB 3.41Å; M958-F979 VanDerWaalsContact CE-CB 3.41Å; M958-F979 HydrophobicContact CE-CG 4.28Å; T962-F979 HydrophobicContact CG2-CD2 4.46Å; M965-F979 HydrophobicContact CB-CE2 3.67Å; M965-F979 HydrophobicContact CB-CZ 4.2Å; M965-F979 HydrophobicContact CE-CE1 4.07Å; M965-F979 HydrophobicContact CE-CE2 3.87Å; M965-F979 HydrophobicContact CE-CZ 3.54Å; M965-F979 HydrophobicContact CG-CE2 4.24Å; M965-F979 HydrophobicContact SD-CD2 4.04Å; M965-F979 HydrophobicContact SD-CE2 3.57Å; M965-F979 VanDerWaalsContact SD-CE2 3.57Å; M965-F979 HydrophobicContact SD-CZ 3.92Å; F979-T983 HydrophobicContact CD1-CG2 3.41Å; F979-T983 VanDerWaalsContact CD1-CG2 3.41Å; F979-T983 HydrophobicContact CE1-CG2 3.9Å; F979-Q1048 HydrophobicContact CE1-CG 4.34Å; F979-C1052 HydrophobicContact CZ-CB 4.42Å | ||
| 980 | G | 77.9 | Confident | 68.4 | Low | 33 Ų | 33 | 77.5 Ų | 77.5 | 34% | 0.34 | 38% | 0.379 | S | S | . | . | trans | -79.8 | 173.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | M978 W982 T983 F984 | M978-G980 PolarHBondContact O-N 3.37Å; G980-W982 PolarHBondContact O-N 3.31Å; G980-T983 PolarHBondContact N-OG1 2.86Å; G980-T983 PolarHBondContact O-N 3Å; G980-F984 PolarHBondContact O-N 3.08Å; G980-F984 VanDerWaalsContact O-N 3.14Å | ||
| 981 | N | 85.3 | Confident | 70.9 | Confident | 62 Ų | 62 | 70.2 Ų | 70.2 | 33% | 0.332 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -52.8 | -41.7 | 173.1 | 61.3 | -20.4 | 0 | 0 | 0 | 112.4 | T983 F984 G985 | N981-T983 VanDerWaalsContact C-N 3.3Å; N981-T983 PolarHBondContact O-N 3.33Å; N981-F984 WeakPolarHBondContact O-CB 3.45Å; N981-F984 PolarHBondContact O-N 3.22Å; N981-G985 PolarHBondContact O-N 3.45Å |
| 982 | W | 88.2 | Confident | 73.3 | Confident | 39 Ų | 39 | 62.7 Ų | 62.7 | 15% | 0.148 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.9 | -32.3 | 177.8 | -61.5 | 117.1 | 0 | 0 | 0 | 113 | D884 G980 T986 D1041 M1042 V1045 | D884-W982 HydrophobicContact CB-CE3 4.45Å; D884-W982 HydrophobicContact CB-CZ3 4.11Å; G980-W982 PolarHBondContact O-N 3.31Å; W982-T986 VanDerWaalsContact O-CB 3.29Å; W982-T986 WeakPolarHBondContact O-CB 3.44Å; W982-T986 PolarHBondContact O-N 3Å; W982-T986 PolarHBondContact O-OG1 3.19Å; W982-D1041 HydrophobicContact CD2-CB 4.48Å; W982-D1041 HydrophobicContact CZ2-CB 4.21Å; W982-M1042 HydrophobicContact CB-CE 4.45Å; W982-M1042 HydrophobicContact CB-SD 4.17Å; W982-M1042 HydrophobicContact CE3-CE 3.91Å; W982-V1045 HydrophobicContact CB-CG1 4.41Å; W982-V1045 HydrophobicContact CB-CG2 4.35Å |
| 983 | T | 87.6 | Confident | 76 | Confident | 5 Ų | 5 | 50.5 Ų | 50.5 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72.3 | -40.2 | 175.2 | -36.7 | 0 | 0 | 0 | 0 | 111.6 | F979 G980 N981 T986 L987 V1045 L1049 | F979-T983 HydrophobicContact CD1-CG2 3.41Å; F979-T983 VanDerWaalsContact CD1-CG2 3.41Å; F979-T983 HydrophobicContact CE1-CG2 3.9Å; G980-T983 PolarHBondContact N-OG1 2.86Å; G980-T983 PolarHBondContact O-N 3Å; N981-T983 VanDerWaalsContact C-N 3.3Å; N981-T983 PolarHBondContact O-N 3.33Å; T983-T986 PolarHBondContact O-N 3.42Å; T983-L987 PolarHBondContact O-N 3.28Å; T983-V1045 HydrophobicContact CG2-CG1 4.18Å; T983-L1049 HydrophobicContact CG2-CB 4.13Å; T983-L1049 HydrophobicContact CG2-CD1 4.08Å |
| 984 | F | 88.9 | Confident | 78.8 | Confident | 17 Ų | 17 | 47 Ų | 47 | 8% | 0.075 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.8 | -49.2 | 171.9 | 174.7 | -107.5 | 0 | 0 | 0 | 111.4 | Y871 L882 F951 M958 G980 N981 T986 L987 V988 | Y871-F984 HydrophobicContact CD2-CE1 4.16Å; Y871-F984 HydrophobicContact CE2-CD1 4.35Å; Y871-F984 HydrophobicContact CE2-CE1 4.32Å; L882-F984 HydrophobicContact CD1-CD1 3.51Å; L882-F984 HydrophobicContact CD1-CE1 3.63Å; F951-F984 HydrophobicContact CD2-CE1 4.28Å; F951-F984 HydrophobicContact CD2-CZ 4.1Å; F951-F984 AromaticContact CE2-CE1 3.74Å; F951-F984 HydrophobicContact CE2-CE1 3.74Å; F951-F984 AromaticContact CE2-CZ 3.81Å; F951-F984 HydrophobicContact CE2-CZ 3.81Å; F951-F984 HydrophobicContact CZ-CE1 4.29Å; F951-F984 HydrophobicContact CZ-CZ 4.14Å; M958-F984 HydrophobicContact CE-CB 4.05Å; M958-F984 HydrophobicContact SD-CB 3.78Å; M958-F984 HydrophobicContact SD-CD2 3.6Å; M958-F984 VanDerWaalsContact SD-CD2 3.6Å; M958-F984 HydrophobicContact SD-CG 4.17Å; G980-F984 PolarHBondContact O-N 3.08Å; G980-F984 VanDerWaalsContact O-N 3.14Å; N981-F984 WeakPolarHBondContact O-CB 3.45Å; N981-F984 PolarHBondContact O-N 3.22Å; F984-T986 VanDerWaalsContact C-N 3.29Å; F984-T986 PolarHBondContact O-N 3.19Å; F984-L987 WeakPolarHBondContact O-CB 3.11Å; F984-L987 PolarHBondContact O-N 2.95Å; F984-V988 HydrophobicContact CD2-CG2 4.44Å; F984-V988 HydrophobicContact CE1-CG2 4.18Å; F984-V988 HydrophobicContact CE2-CG2 4.05Å; F984-V988 HydrophobicContact CZ-CG2 3.9Å; F984-V988 WeakPolarHBondContact O-CG2 3.46Å; F984-V988 PolarHBondContact O-N 3.27Å |
| 985 | G | 91.3 | Very high | 81.5 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.4 | -40.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L882 N981 F989 | L882-G985 WeakPolarHBondContact O-CA 3.26Å; N981-G985 PolarHBondContact O-N 3.45Å; G985-F989 VanDerWaalsContact O-CB 3.24Å; G985-F989 WeakPolarHBondContact O-CB 3.48Å; G985-F989 PolarHBondContact O-N 3.04Å |
| 986 | T | 91.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.8 | -36.1 | 177.4 | -58 | 0 | 0 | 0 | 0 | 112.5 | Y887 W982 T983 F984 F989 T990 F1046 L1049 | Y887-T986 HydrophobicContact CE2-CG2 4.37Å; W982-T986 VanDerWaalsContact O-CB 3.29Å; W982-T986 WeakPolarHBondContact O-CB 3.44Å; W982-T986 PolarHBondContact O-N 3Å; W982-T986 PolarHBondContact O-OG1 3.19Å; T983-T986 PolarHBondContact O-N 3.42Å; F984-T986 VanDerWaalsContact C-N 3.29Å; F984-T986 PolarHBondContact O-N 3.19Å; T986-F989 PolarHBondContact O-N 3.21Å; T986-T990 WeakPolarHBondContact O-CB 3.49Å; T986-T990 PolarHBondContact O-N 3.32Å; T986-T990 PolarHBondContact O-OG1 3.35Å; T986-F1046 HydrophobicContact CG2-CD2 3.58Å; T986-F1046 HydrophobicContact CG2-CE2 4.18Å; T986-L1049 HydrophobicContact CG2-CD2 3.95Å |
| 987 | L | 91.4 | Very high | 87 | Confident | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.6 | -51.7 | 173.5 | 174.5 | 62.7 | 0 | 0 | 0 | 111.1 | L957 T983 F984 F989 T990 V991 L1049 I1059 | L957-L987 HydrophobicContact CD2-CD2 3.79Å; T983-L987 PolarHBondContact O-N 3.28Å; F984-L987 WeakPolarHBondContact O-CB 3.11Å; F984-L987 PolarHBondContact O-N 2.95Å; L987-F989 VanDerWaalsContact C-N 3.27Å; L987-F989 PolarHBondContact O-N 2.95Å; L987-T990 PolarHBondContact O-N 3.38Å; L987-V991 HydrophobicContact CD1-CG2 4.34Å; L987-V991 WeakPolarHBondContact O-CG2 3.4Å; L987-V991 PolarHBondContact O-N 2.98Å; L987-L1049 HydrophobicContact CB-CD1 4.09Å; L987-L1049 HydrophobicContact CB-CD2 4.23Å; L987-L1049 HydrophobicContact CD1-CD1 4.24Å; L987-I1059 HydrophobicContact CD1-CD1 4.1Å; L987-I1059 HydrophobicContact CD1-CG1 3.66Å |
| 988 | V | 94.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -56.8 | -44.5 | 176.8 | 175.3 | 0 | 0 | 0 | 0 | 110.3 | P867 L882 Y883 F950 F984 V991 M992 | P867-V988 HydrophobicContact CB-CG1 3.96Å; P867-V988 HydrophobicContact CG-CG1 4.32Å; L882-V988 HydrophobicContact CD2-CG1 4.33Å; Y883-V988 HydrophobicContact CE1-CG1 4.22Å; F950-V988 HydrophobicContact CB-CG1 4.28Å; F984-V988 HydrophobicContact CD2-CG2 4.44Å; F984-V988 HydrophobicContact CE1-CG2 4.18Å; F984-V988 HydrophobicContact CE2-CG2 4.05Å; F984-V988 HydrophobicContact CZ-CG2 3.9Å; F984-V988 WeakPolarHBondContact O-CG2 3.46Å; F984-V988 PolarHBondContact O-N 3.27Å; V988-V991 PolarHBondContact O-N 3.01Å; V988-M992 VanDerWaalsContact O-CB 3.3Å; V988-M992 WeakPolarHBondContact O-CB 3.47Å; V988-M992 PolarHBondContact O-N 3.06Å |
| 989 | F | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -64.8 | -41.8 | 179.1 | -166.5 | -89.8 | 0 | 0 | 0 | 112.7 | F864 Y883 Y887 Y891 F895 G985 T986 L987 M992 V993 Y1022 | F864-F989 HydrophobicContact CD2-CE2 4.42Å; F864-F989 HydrophobicContact CE2-CD2 4.23Å; F864-F989 AromaticContact CE2-CE2 3.82Å; F864-F989 HydrophobicContact CE2-CE2 3.82Å; Y883-F989 HydrophobicContact CD1-CB 3.96Å; Y883-F989 AromaticContact CD1-CD2 3.71Å; Y883-F989 HydrophobicContact CD1-CD2 3.71Å; Y883-F989 HydrophobicContact CD1-CG 4.29Å; Y883-F989 HydrophobicContact CE1-CB 3.93Å; Y883-F989 AromaticContact CE1-CD2 3.91Å; Y883-F989 HydrophobicContact CE1-CD2 3.91Å; Y883-F989 HydrophobicContact CE1-CG 4.44Å; Y883-F989 HydrophobicContact CG-CD2 4.13Å; Y887-F989 HydrophobicContact CD2-CD1 4.27Å; Y887-F989 HydrophobicContact CD2-CE1 4.48Å; Y887-F989 HydrophobicContact CD2-CG 4.36Å; Y887-F989 HydrophobicContact CG-CD1 4.41Å; Y887-F989 HydrophobicContact CG-CE1 4.17Å; Y887-F989 HydrophobicContact CG-CZ 4.25Å; Y891-F989 HydrophobicContact CD2-CE2 4.1Å; Y891-F989 AromaticContact CD2-CZ 3.94Å; Y891-F989 HydrophobicContact CD2-CZ 3.94Å; Y891-F989 HydrophobicContact CG-CE2 4.37Å; Y891-F989 HydrophobicContact CG-CZ 4.38Å; F895-F989 HydrophobicContact CD2-CE1 4.03Å; F895-F989 AromaticContact CD2-CZ 3.97Å; F895-F989 HydrophobicContact CD2-CZ 3.97Å; F895-F989 HydrophobicContact CE2-CE1 4.11Å; F895-F989 HydrophobicContact CE2-CZ 4.19Å; G985-F989 VanDerWaalsContact O-CB 3.24Å; G985-F989 WeakPolarHBondContact O-CB 3.48Å; G985-F989 PolarHBondContact O-N 3.04Å; T986-F989 PolarHBondContact O-N 3.21Å; L987-F989 VanDerWaalsContact C-N 3.27Å; L987-F989 PolarHBondContact O-N 2.95Å; F989-M992 HydrophobicContact CD2-CE 3.36Å; F989-M992 HydrophobicContact CE2-CE 3.53Å; F989-M992 HydrophobicContact CG-CE 3.95Å; F989-M992 HydrophobicContact CZ-CE 4.23Å; F989-M992 PolarHBondContact O-N 3.02Å; F989-V993 HydrophobicContact CD1-CG2 3.8Å; F989-V993 HydrophobicContact CE1-CG2 3.47Å; F989-V993 VanDerWaalsContact CE1-CG2 3.47Å; F989-V993 HydrophobicContact CZ-CG2 3.98Å; F989-V993 WeakPolarHBondContact O-CG2 3.13Å; F989-V993 PolarHBondContact O-N 3.39Å; F989-Y1022 HydrophobicContact CD1-CD2 4.48Å; F989-Y1022 AromaticContact CD1-CE2 3.57Å; F989-Y1022 HydrophobicContact CD1-CE2 3.57Å; F989-Y1022 AromaticContact CD1-CZ 3.84Å; F989-Y1022 HydrophobicContact CE1-CD2 4.03Å; F989-Y1022 AromaticContact CE1-CE2 3.49Å; F989-Y1022 HydrophobicContact CE1-CE2 3.49Å; F989-Y1022 VanDerWaalsContact CE1-CE2 3.49Å |
| 990 | T | 94.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -60.6 | -50.1 | 177.6 | -60.1 | 0 | 0 | 0 | 0 | 110.9 | T986 L987 M992 V993 I994 Y1022 F1023 I1059 | T986-T990 WeakPolarHBondContact O-CB 3.49Å; T986-T990 PolarHBondContact O-N 3.32Å; T986-T990 PolarHBondContact O-OG1 3.35Å; L987-T990 PolarHBondContact O-N 3.38Å; T990-M992 VanDerWaalsContact C-N 3.3Å; T990-M992 PolarHBondContact O-N 3.02Å; T990-V993 PolarHBondContact O-N 2.99Å; T990-I994 HydrophobicContact CG2-CD1 3.91Å; T990-I994 WeakPolarHBondContact O-CG1 3.47Å; T990-I994 PolarHBondContact O-N 3.13Å; T990-I994 VanDerWaalsContact O-N 3.15Å; T990-Y1022 HydrophobicContact CG2-CE1 4.13Å; T990-Y1022 PolarHBondContact OG1-OH 3.46Å; T990-F1023 HydrophobicContact CG2-CZ 4.18Å; T990-I1059 HydrophobicContact CG2-CD1 3.97Å |
| 991 | V | 95.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -59.1 | -44.2 | 178 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | F950 L987 V988 T995 I1059 I1062 V1063 | F950-V991 HydrophobicContact CD1-CG1 3.61Å; F950-V991 HydrophobicContact CE1-CG1 4.05Å; F950-V991 HydrophobicContact CG-CG1 4.4Å; L987-V991 HydrophobicContact CD1-CG2 4.34Å; L987-V991 WeakPolarHBondContact O-CG2 3.4Å; L987-V991 PolarHBondContact O-N 2.98Å; V988-V991 PolarHBondContact O-N 3.01Å; V991-T995 VanDerWaalsContact O-CB 3.3Å; V991-T995 WeakPolarHBondContact O-CB 3.5Å; V991-T995 PolarHBondContact O-N 3.11Å; V991-T995 PolarHBondContact O-OG1 2.86Å; V991-I1059 HydrophobicContact CG2-CB 4.27Å; V991-I1059 HydrophobicContact CG2-CG1 3.88Å; V991-I1059 HydrophobicContact CG2-CG2 4.29Å; V991-I1062 HydrophobicContact CG1-CB 3.97Å; V991-I1062 HydrophobicContact CG1-CG2 3.48Å; V991-I1062 VanDerWaalsContact CG1-CG2 3.48Å; V991-I1062 HydrophobicContact CG2-CD1 4.33Å; V991-V1063 HydrophobicContact CG1-CG2 4.34Å |
| 992 | M | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -62.1 | -52.8 | 178.9 | 175.5 | -166.5 | 66.4 | 0 | 0 | 111.9 | F864 Y891 F950 V988 F989 T990 I994 T995 V996 | F864-M992 WeakPolarHBondContact CA-SD 3.43Å; F864-M992 HydrophobicContact CB-SD 3.8Å; F864-M992 HydrophobicContact CD2-CE 3.59Å; F864-M992 HydrophobicContact CD2-SD 3.67Å; F864-M992 HydrophobicContact CE2-CE 4.21Å; F864-M992 HydrophobicContact CG-SD 4.22Å; Y891-M992 HydrophobicContact CD2-CE 3.8Å; Y891-M992 HydrophobicContact CE2-CE 3.54Å; Y891-M992 HydrophobicContact CE2-SD 4.22Å; F950-M992 HydrophobicContact CD2-CB 4Å; F950-M992 HydrophobicContact CD2-CG 4.22Å; F950-M992 HydrophobicContact CE2-CB 4.06Å; F950-M992 HydrophobicContact CE2-CG 3.98Å; V988-M992 VanDerWaalsContact O-CB 3.3Å; V988-M992 WeakPolarHBondContact O-CB 3.47Å; V988-M992 PolarHBondContact O-N 3.06Å; F989-M992 HydrophobicContact CD2-CE 3.36Å; F989-M992 HydrophobicContact CE2-CE 3.53Å; F989-M992 HydrophobicContact CG-CE 3.95Å; F989-M992 HydrophobicContact CZ-CE 4.23Å; F989-M992 PolarHBondContact O-N 3.02Å; T990-M992 VanDerWaalsContact C-N 3.3Å; T990-M992 PolarHBondContact O-N 3.02Å; M992-I994 VanDerWaalsContact C-N 3.29Å; M992-I994 PolarHBondContact O-N 2.95Å; M992-T995 PolarHBondContact O-N 3.44Å; M992-T995 VanDerWaalsContact O-N 3.13Å; M992-V996 HydrophobicContact CG-CG1 4.28Å; M992-V996 WeakPolarHBondContact O-CG1 3.26Å; M992-V996 WeakPolarHBondContact O-CG2 3.41Å; M992-V996 PolarHBondContact O-N 3.26Å |
| 993 | V | 95.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -57.8 | -42.9 | -178.2 | 169.1 | 0 | 0 | 0 | 0 | 111.3 | Y891 F989 T990 V996 T997 Y1022 | Y891-V993 HydrophobicContact CD2-CG2 4.22Å; Y891-V993 HydrophobicContact CE2-CG2 4.29Å; F989-V993 HydrophobicContact CD1-CG2 3.8Å; F989-V993 HydrophobicContact CE1-CG2 3.47Å; F989-V993 VanDerWaalsContact CE1-CG2 3.47Å; F989-V993 HydrophobicContact CZ-CG2 3.98Å; F989-V993 WeakPolarHBondContact O-CG2 3.13Å; F989-V993 PolarHBondContact O-N 3.39Å; T990-V993 PolarHBondContact O-N 2.99Å; V993-V996 WeakPolarHBondContact O-CG2 3.36Å; V993-T997 VanDerWaalsContact O-CB 3.32Å; V993-T997 WeakPolarHBondContact O-CB 3.35Å; V993-T997 PolarHBondContact O-N 3.5Å; V993-T997 PolarHBondContact O-OG1 3.13Å; V993-Y1022 HydrophobicContact CG1-CD1 4.22Å; V993-Y1022 HydrophobicContact CG1-CG 4.09Å |
| 994 | I | 95.9 | Very high | 93.9 | Very high | 22 Ų | 22 | 9.4 Ų | 9.4 | 11% | 0.113 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -64.6 | -49.3 | 176.2 | -65.4 | 169.4 | 0 | 0 | 0 | 110.1 | T990 M992 T997 L998 F1023 I1059 V1063 | T990-I994 HydrophobicContact CG2-CD1 3.91Å; T990-I994 WeakPolarHBondContact O-CG1 3.47Å; T990-I994 PolarHBondContact O-N 3.13Å; T990-I994 VanDerWaalsContact O-N 3.15Å; M992-I994 VanDerWaalsContact C-N 3.29Å; M992-I994 PolarHBondContact O-N 2.95Å; I994-T997 PolarHBondContact O-N 2.82Å; I994-L998 HydrophobicContact CG2-CD1 3.65Å; I994-L998 HydrophobicContact CG2-CG 4.2Å; I994-L998 WeakPolarHBondContact O-CB 3.34Å; I994-L998 VanDerWaalsContact O-CG 3.29Å; I994-L998 WeakPolarHBondContact O-CG 3.14Å; I994-L998 PolarHBondContact O-N 3.44Å; I994-F1023 HydrophobicContact CD1-CE2 4.15Å; I994-F1023 HydrophobicContact CD1-CZ 4.15Å; I994-I1059 HydrophobicContact CD1-CG2 3.94Å; I994-V1063 HydrophobicContact CB-CG2 4.37Å; I994-V1063 HydrophobicContact CG2-CG1 4.36Å; I994-V1063 HydrophobicContact CG2-CG2 3.93Å |
| 995 | T | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.8 | -45.7 | -176.1 | -56.5 | 0 | 0 | 0 | 0 | 112.5 | F950 V991 M992 T997 L998 K999 C1066 L1067 | F950-T995 HydrophobicContact CE1-CG2 3.7Å; F950-T995 WeakPolarHBondContact CE1-OG1 3.43Å; F950-T995 HydrophobicContact CZ-CG2 3.62Å; V991-T995 VanDerWaalsContact O-CB 3.3Å; V991-T995 WeakPolarHBondContact O-CB 3.5Å; V991-T995 PolarHBondContact O-N 3.11Å; V991-T995 PolarHBondContact O-OG1 2.86Å; M992-T995 PolarHBondContact O-N 3.44Å; M992-T995 VanDerWaalsContact O-N 3.13Å; T995-T997 VanDerWaalsContact C-N 3.33Å; T995-T997 PolarHBondContact O-N 2.94Å; T995-L998 PolarHBondContact O-N 2.77Å; T995-K999 VanDerWaalsContact O-CB 3.28Å; T995-K999 WeakPolarHBondContact O-CB 3.41Å; T995-K999 PolarHBondContact O-N 3.28Å; T995-C1066 HydrophobicContact CG2-CB 3.8Å; T995-L1067 HydrophobicContact CG2-CD2 3.84Å; T995-L1067 HydrophobicContact CG2-CG 4.17Å |
| 996 | V | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.7 | -38.2 | -180 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | Y856 Y859 K860 C863 T896 M992 V993 K999 L1000 | Y856-V996 PolarHBondContact OH-O 3.2Å; Y856-V996 VanDerWaalsContact OH-O 3.06Å; Y859-V996 HydrophobicContact CE1-CG1 4.3Å; K860-V996 HydrophobicContact CB-CG1 4.43Å; C863-V996 HydrophobicContact CB-CG1 4.12Å; T896-V996 HydrophobicContact CG2-CG2 3.86Å; M992-V996 HydrophobicContact CG-CG1 4.28Å; M992-V996 WeakPolarHBondContact O-CG1 3.26Å; M992-V996 WeakPolarHBondContact O-CG2 3.41Å; M992-V996 PolarHBondContact O-N 3.26Å; V993-V996 WeakPolarHBondContact O-CG2 3.36Å; V996-K999 PolarHBondContact O-N 3.32Å; V996-L1000 PolarHBondContact O-N 2.97Å; V996-L1000 VanDerWaalsContact O-N 3.11Å |
| 997 | T | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -69 | -43.7 | 178 | -53.8 | 0 | 0 | 0 | 0 | 111.5 | V993 I994 T995 K999 L1000 A1001 T1015 I1019 | V993-T997 VanDerWaalsContact O-CB 3.32Å; V993-T997 WeakPolarHBondContact O-CB 3.35Å; V993-T997 PolarHBondContact O-N 3.5Å; V993-T997 PolarHBondContact O-OG1 3.13Å; I994-T997 PolarHBondContact O-N 2.82Å; T995-T997 VanDerWaalsContact C-N 3.33Å; T995-T997 PolarHBondContact O-N 2.94Å; T997-K999 VanDerWaalsContact C-N 3.34Å; T997-L1000 WeakPolarHBondContact O-CB 3.45Å; T997-L1000 PolarHBondContact O-N 3.46Å; T997-A1001 PolarHBondContact O-N 2.98Å; T997-T1015 HydrophobicContact CG2-CG2 3.71Å; T997-I1019 HydrophobicContact CG2-CD1 3.92Å; T997-I1019 HydrophobicContact CG2-CG1 3.88Å |
| 998 | L | 95.2 | Very high | 94.1 | Very high | 42 Ų | 42 | 21.8 Ų | 21.8 | 22% | 0.22 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67 | -33.9 | 174.2 | -70.5 | 179.2 | 0 | 0 | 0 | 112.3 | I994 T995 L1000 A1001 L1002 W1016 V1063 L1067 | I994-L998 HydrophobicContact CG2-CD1 3.65Å; I994-L998 HydrophobicContact CG2-CG 4.2Å; I994-L998 WeakPolarHBondContact O-CB 3.34Å; I994-L998 VanDerWaalsContact O-CG 3.29Å; I994-L998 WeakPolarHBondContact O-CG 3.14Å; I994-L998 PolarHBondContact O-N 3.44Å; T995-L998 PolarHBondContact O-N 2.77Å; L998-L1000 VanDerWaalsContact C-N 3.29Å; L998-L1000 PolarHBondContact O-N 3.26Å; L998-A1001 WeakPolarHBondContact O-CB 3.19Å; L998-A1001 PolarHBondContact O-N 3.41Å; L998-L1002 WeakPolarHBondContact O-CG 3.46Å; L998-L1002 PolarHBondContact O-N 3.08Å; L998-W1016 HydrophobicContact CD2-CH2 3.99Å; L998-W1016 HydrophobicContact CD2-CZ3 3.74Å; L998-V1063 HydrophobicContact CD1-CG1 3.79Å; L998-L1067 HydrophobicContact CB-CD1 3.66Å; L998-L1067 HydrophobicContact CD1-CD1 4.08Å |
| 999 | K | 95.1 | Very high | 94 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 0% | 0.004 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.7 | -40.9 | 172.9 | 179.2 | 57.1 | 165.9 | 71.2 | 0 | 111.2 | Y859 W939 T995 V996 T997 L1002 E1003 L1067 E1070 | Y859-K999 HydrophobicContact CE1-CB 4.39Å; Y859-K999 HydrophobicContact CE1-CG 3.96Å; W939-K999 VanDerWaalsContact CZ3-NZ 3.32Å; T995-K999 VanDerWaalsContact O-CB 3.28Å; T995-K999 WeakPolarHBondContact O-CB 3.41Å; T995-K999 PolarHBondContact O-N 3.28Å; V996-K999 PolarHBondContact O-N 3.32Å; T997-K999 VanDerWaalsContact C-N 3.34Å; K999-L1002 PolarHBondContact O-N 2.93Å; K999-E1003 IonicContact NZ-OE1 3.28Å; K999-E1003 PolarHBondContact NZ-OE1 3.44Å; K999-E1003 PolarHBondContact O-N 3.31Å; K999-L1067 HydrophobicContact CB-CD2 4.09Å; K999-L1067 HydrophobicContact CD-CD2 4.42Å; K999-E1070 WeakPolarHBondContact CE-OE2 3.33Å; K999-E1070 IonicContact NZ-OE2 3.67Å |
| 1000 | L | 94.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.1 | -40.8 | 173.7 | -176.6 | 62.3 | 0 | 0 | 0 | 112 | Y856 P899 I900 Y903 V996 T997 L998 L1002 E1003 T1004 | Y856-L1000 HydrophobicContact CD2-CB 4.44Å; Y856-L1000 HydrophobicContact CD2-CD1 4.27Å; Y856-L1000 HydrophobicContact CE1-CD2 4.41Å; Y856-L1000 HydrophobicContact CE2-CB 3.76Å; Y856-L1000 HydrophobicContact CE2-CD1 4.34Å; Y856-L1000 HydrophobicContact CE2-CG 4.49Å; Y856-L1000 HydrophobicContact CG-CD1 4.46Å; P899-L1000 HydrophobicContact CB-CD2 3.67Å; I900-L1000 HydrophobicContact CB-CD2 4.04Å; I900-L1000 HydrophobicContact CD1-CD1 3.61Å; I900-L1000 HydrophobicContact CD1-CD2 4.2Å; Y903-L1000 HydrophobicContact CD1-CD1 4.22Å; Y903-L1000 HydrophobicContact CD2-CD1 4.18Å; Y903-L1000 HydrophobicContact CG-CD1 3.96Å; V996-L1000 PolarHBondContact O-N 2.97Å; V996-L1000 VanDerWaalsContact O-N 3.11Å; T997-L1000 WeakPolarHBondContact O-CB 3.45Å; T997-L1000 PolarHBondContact O-N 3.46Å; L998-L1000 VanDerWaalsContact C-N 3.29Å; L998-L1000 PolarHBondContact O-N 3.26Å; L1000-L1002 PolarHBondContact O-N 3.4Å; L1000-E1003 PolarHBondContact O-N 2.88Å; L1000-T1004 PolarHBondContact O-N 2.76Å; L1000-T1004 PolarHBondContact O-OG1 2.7Å |
| 1001 | A | 94 | Very high | 93.8 | Very high | 10 Ų | 10 | 33.7 Ų | 33.7 | 8% | 0.083 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.4 | -39.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T997 L998 E1003 T1004 W1007 T1015 | T997-A1001 PolarHBondContact O-N 2.98Å; L998-A1001 WeakPolarHBondContact O-CB 3.19Å; L998-A1001 PolarHBondContact O-N 3.41Å; A1001-E1003 VanDerWaalsContact C-N 3.32Å; A1001-E1003 PolarHBondContact O-N 2.65Å; A1001-T1004 WeakPolarHBondContact O-CB 3.4Å; A1001-T1004 PolarHBondContact O-N 2.81Å; A1001-W1007 HydrophobicContact CB-CH2 3.61Å; A1001-W1007 HydrophobicContact CB-CZ2 3.69Å; A1001-W1007 WeakPolarHBondContact O-CZ2 3.49Å; A1001-T1015 HydrophobicContact CB-CG2 4.25Å |
| 1002 | L | 92.6 | Very high | 93.8 | Very high | 62 Ų | 62 | 37.5 Ų | 37.5 | 33% | 0.325 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -69.3 | -24.4 | 175.4 | -69.2 | 173.5 | 0 | 0 | 0 | 114 | L998 K999 L1000 L1067 V1071 K1074 | L998-L1002 WeakPolarHBondContact O-CG 3.46Å; L998-L1002 PolarHBondContact O-N 3.08Å; K999-L1002 PolarHBondContact O-N 2.93Å; L1000-L1002 PolarHBondContact O-N 3.4Å; L1002-L1067 HydrophobicContact CD1-CB 4.27Å; L1002-L1067 HydrophobicContact CD1-CD1 4.32Å; L1002-L1067 HydrophobicContact CD1-CD2 4.1Å; L1002-L1067 HydrophobicContact CD1-CG 4.46Å; L1002-V1071 HydrophobicContact CD1-CG2 3.9Å; L1002-V1071 HydrophobicContact CD2-CG2 4.13Å; L1002-K1074 PolarHBondContact O-NZ 3.41Å |
| 1003 | E | 91.4 | Very high | 93.7 | Very high | 32 Ų | 32 | 44.3 Ų | 44.3 | 15% | 0.15 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -78.1 | -33.2 | 172.1 | -65.6 | -50.5 | 143.4 | 0 | 0 | 112.4 | Y903 W939 K999 L1000 A1001 Q1005 K1074 | Y903-E1003 HydrophobicContact CE2-CB 4.46Å; W939-E1003 HydrophobicContact CH2-CG 4Å; K999-E1003 IonicContact NZ-OE1 3.28Å; K999-E1003 PolarHBondContact NZ-OE1 3.44Å; K999-E1003 PolarHBondContact O-N 3.31Å; L1000-E1003 PolarHBondContact O-N 2.88Å; A1001-E1003 VanDerWaalsContact C-N 3.32Å; A1001-E1003 PolarHBondContact O-N 2.65Å; E1003-Q1005 PolarHBondContact O-N 2.96Å; E1003-Q1005 PolarHBondContact O-NE2 3.45Å; E1003-Q1005 VanDerWaalsContact O-NE2 3.14Å; E1003-K1074 WeakPolarHBondContact OE1-CE 3.49Å; E1003-K1074 IonicContact OE1-NZ 3.52Å; E1003-K1074 PolarHBondContact OE1-NZ 2.81Å; E1003-K1074 IonicContact OE2-NZ 3.04Å; E1003-K1074 PolarHBondContact OE2-NZ 3.34Å |
| 1004 | T | 92.4 | Very high | 93.7 | Very high | 8 Ų | 8 | 45.4 Ų | 45.4 | 5% | 0.049 | 21% | 0.207 | C | C | . | . | trans | -61.1 | 114.4 | -179 | -52.3 | 0 | 0 | 0 | 0 | 111.2 | Y903 L1000 A1001 W1007 | Y903-T1004 HydrophobicContact CD2-CG2 4.34Å; Y903-T1004 WeakPolarHBondContact CD2-OG1 3.28Å; L1000-T1004 PolarHBondContact O-N 2.76Å; L1000-T1004 PolarHBondContact O-OG1 2.7Å; A1001-T1004 WeakPolarHBondContact O-CB 3.4Å; A1001-T1004 PolarHBondContact O-N 2.81Å; T1004-W1007 HydrophobicContact CG2-CD2 4.12Å; T1004-W1007 HydrophobicContact CG2-CG 4.26Å; T1004-W1007 PolarHBondContact O-NE1 3.41Å; T1004-W1007 VanDerWaalsContact O-NE1 3.16Å | ||
| 1005 | Q | 88.4 | Confident | 93.6 | Very high | 82 Ų | 82 | 44.5 Ų | 44.5 | 38% | 0.383 | 20% | 0.203 | S | C | . | . | trans | -94.1 | -33.7 | 173.5 | -56.7 | -58 | -62.8 | 0 | 0 | 111 | E907 L909 E1003 | E907-Q1005 WeakPolarHBondContact OE1-CA 3.42Å; E907-Q1005 VanDerWaalsContact OE1-CB 3.31Å; E907-Q1005 WeakPolarHBondContact OE1-CB 3.21Å; E907-Q1005 PolarHBondContact OE1-N 3Å; L909-Q1005 HydrophobicContact CD1-CB 4.41Å; L909-Q1005 HydrophobicContact CD1-CG 3.68Å; E1003-Q1005 PolarHBondContact O-N 2.96Å; E1003-Q1005 PolarHBondContact O-NE2 3.45Å; E1003-Q1005 VanDerWaalsContact O-NE2 3.14Å | ||
| 1006 | F | 91 | Very high | 93.6 | Very high | 82 Ų | 82 | 50.3 Ų | 50.3 | 36% | 0.36 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -103.3 | 94 | -179.5 | -172.2 | -115 | 0 | 0 | 0 | 112.2 | E907 Q908 T1008 N1011 | E907-F1006 PolarHBondContact OE1-N 2.91Å; E907-F1006 PolarHBondContact OE2-N 2.88Å; Q908-F1006 HydrophobicContact CB-CB 4.13Å; Q908-F1006 HydrophobicContact CB-CD1 4.25Å; Q908-F1006 HydrophobicContact CB-CG 4.09Å; Q908-F1006 HydrophobicContact CG-CD1 4.28Å; F1006-T1008 HydrophobicContact CD1-CG2 3.6Å; F1006-T1008 HydrophobicContact CE1-CG2 3.27Å; F1006-T1008 HydrophobicContact CZ-CG2 4.05Å; F1006-T1008 PolarHBondContact O-N 3Å; F1006-N1011 PolarHBondContact O-ND2 2.81Å |
| 1007 | W | 93.3 | Very high | 93.5 | Very high | 89 Ų | 89 | 51.7 Ų | 51.7 | 34% | 0.337 | 24% | 0.239 | S | C | . | . | trans | -81.3 | 113 | 179.9 | -76.5 | 87.5 | 0 | 0 | 0 | 112.2 | A1001 T1004 N1011 H1012 W1016 | A1001-W1007 HydrophobicContact CB-CH2 3.61Å; A1001-W1007 HydrophobicContact CB-CZ2 3.69Å; A1001-W1007 WeakPolarHBondContact O-CZ2 3.49Å; T1004-W1007 HydrophobicContact CG2-CD2 4.12Å; T1004-W1007 HydrophobicContact CG2-CG 4.26Å; T1004-W1007 PolarHBondContact O-NE1 3.41Å; T1004-W1007 VanDerWaalsContact O-NE1 3.16Å; W1007-N1011 HydrophobicContact CE3-CB 4.21Å; W1007-H1012 AromaticContact CD2-CE1 3.82Å; W1007-H1012 AromaticContact CE3-CE1 3.16Å; W1007-H1012 AromaticContact CE3-CG 3.86Å; W1007-H1012 AromaticContact CE3-ND1 3.29Å; W1007-H1012 VanDerWaalsContact CE3-ND1 3.29Å; W1007-H1012 AromaticContact CE3-NE2 3.64Å; W1007-H1012 AromaticContact CZ3-CE1 3.64Å; W1007-H1012 AromaticContact CZ3-ND1 3.38Å; W1007-H1012 WeakPolarHBondContact CZ3-ND1 3.22Å; W1007-W1016 HydrophobicContact CH2-CZ2 4.35Å | ||
| 1008 | T | 92.7 | Very high | 93.5 | Very high | 26 Ų | 26 | 52.1 Ų | 52.1 | 16% | 0.16 | 24% | 0.242 | C | C | . | . | trans | -106.4 | 165.1 | 172.8 | 65.1 | 0 | 0 | 0 | 0 | 110.8 | F1006 M1010 N1011 H1012 | F1006-T1008 HydrophobicContact CD1-CG2 3.6Å; F1006-T1008 HydrophobicContact CE1-CG2 3.27Å; F1006-T1008 HydrophobicContact CZ-CG2 4.05Å; F1006-T1008 PolarHBondContact O-N 3Å; T1008-M1010 PolarHBondContact O-N 2.67Å; T1008-N1011 WeakPolarHBondContact O-CB 3.39Å; T1008-N1011 PolarHBondContact O-N 2.8Å; T1008-N1011 VanDerWaalsContact O-N 3.13Å; T1008-N1011 PolarHBondContact OG1-N 2.99Å; T1008-N1011 VanDerWaalsContact OG1-N 3.15Å; T1008-N1011 PolarHBondContact OG1-ND2 3.32Å; T1008-H1012 PolarHBondContact O-CD2 3.09Å; T1008-H1012 PolarHBondContact O-N 3.38Å | ||
| 1009 | W | 93.9 | Very high | 93.5 | Very high | 185 Ų | 185 | 51.3 Ų | 51.3 | 70% | 0.701 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -58.9 | -34 | 173.7 | 75 | -93.7 | 0 | 0 | 0 | 112.2 | H1012 F1013 | W1009-H1012 PolarHBondContact O-N 3.28Å; W1009-F1013 HydrophobicContact CE3-CB 4.5Å; W1009-F1013 VanDerWaalsContact O-CB 3.3Å; W1009-F1013 WeakPolarHBondContact O-CB 3.14Å; W1009-F1013 PolarHBondContact O-N 3.07Å |
| 1010 | M | 92.6 | Very high | 93.5 | Very high | 62 Ų | 62 | 53.6 Ų | 53.6 | 31% | 0.305 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.6 | -42 | 175.9 | -62.6 | -178.2 | 77 | 0 | 0 | 111.3 | V902 F906 T1008 F1013 V1014 | V902-M1010 HydrophobicContact CG1-CB 3.98Å; F906-M1010 HydrophobicContact CD2-SD 4.44Å; F906-M1010 HydrophobicContact CE1-SD 4.42Å; F906-M1010 HydrophobicContact CE2-CE 3.82Å; F906-M1010 HydrophobicContact CE2-SD 3.74Å; F906-M1010 HydrophobicContact CZ-CE 4.05Å; F906-M1010 HydrophobicContact CZ-SD 3.72Å; T1008-M1010 PolarHBondContact O-N 2.67Å; M1010-F1013 PolarHBondContact O-N 3.4Å; M1010-V1014 WeakPolarHBondContact O-CB 3.46Å; M1010-V1014 WeakPolarHBondContact O-CG2 3.18Å; M1010-V1014 PolarHBondContact O-N 3.05Å |
| 1011 | N | 92.1 | Very high | 93.5 | Very high | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.6 | -46 | 175.3 | -74.2 | -30.2 | 0 | 0 | 0 | 111.1 | V902 F1006 W1007 T1008 T1015 | V902-N1011 VanDerWaalsContact CG1-OD1 3.24Å; V902-N1011 WeakPolarHBondContact CG1-OD1 3.4Å; F1006-N1011 PolarHBondContact O-ND2 2.81Å; W1007-N1011 HydrophobicContact CE3-CB 4.21Å; T1008-N1011 WeakPolarHBondContact O-CB 3.39Å; T1008-N1011 PolarHBondContact O-N 2.8Å; T1008-N1011 VanDerWaalsContact O-N 3.13Å; T1008-N1011 PolarHBondContact OG1-N 2.99Å; T1008-N1011 VanDerWaalsContact OG1-N 3.15Å; T1008-N1011 PolarHBondContact OG1-ND2 3.32Å; N1011-T1015 WeakPolarHBondContact O-CB 3.48Å; N1011-T1015 PolarHBondContact O-N 3.36Å; N1011-T1015 PolarHBondContact O-OG1 3.34Å |
| 1012 | H | 93.9 | Very high | 93.5 | Very high | 80 Ų | 80 | 57.5 Ų | 57.5 | 37% | 0.37 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.1 | -50.2 | 174.5 | -76.8 | -57 | 0 | 0 | 0 | 112.2 | W1007 T1008 W1009 V1014 W1016 | W1007-H1012 AromaticContact CD2-CE1 3.82Å; W1007-H1012 AromaticContact CE3-CE1 3.16Å; W1007-H1012 AromaticContact CE3-CG 3.86Å; W1007-H1012 AromaticContact CE3-ND1 3.29Å; W1007-H1012 VanDerWaalsContact CE3-ND1 3.29Å; W1007-H1012 AromaticContact CE3-NE2 3.64Å; W1007-H1012 AromaticContact CZ3-CE1 3.64Å; W1007-H1012 AromaticContact CZ3-ND1 3.38Å; W1007-H1012 WeakPolarHBondContact CZ3-ND1 3.22Å; T1008-H1012 PolarHBondContact O-CD2 3.09Å; T1008-H1012 PolarHBondContact O-N 3.38Å; W1009-H1012 PolarHBondContact O-N 3.28Å; H1012-V1014 VanDerWaalsContact C-N 3.34Å; H1012-V1014 PolarHBondContact O-N 3.2Å; H1012-W1016 AromaticContact ND1-NE1 3.28Å; H1012-W1016 PolarHBondContact ND1-NE1 2.96Å; H1012-W1016 WeakPolarHBondContact O-CB 3.42Å; H1012-W1016 PolarHBondContact O-N 3.48Å |
| 1013 | F | 95.4 | Very high | 93.6 | Very high | 144 Ų | 144 | 56.2 Ų | 56.2 | 63% | 0.632 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -57.8 | -46.8 | -178.3 | 176.6 | -104.4 | 0 | 0 | 0 | 111.7 | W1009 M1010 G1017 | W1009-F1013 HydrophobicContact CE3-CB 4.5Å; W1009-F1013 VanDerWaalsContact O-CB 3.3Å; W1009-F1013 WeakPolarHBondContact O-CB 3.14Å; W1009-F1013 PolarHBondContact O-N 3.07Å; M1010-F1013 PolarHBondContact O-N 3.4Å; F1013-G1017 WeakPolarHBondContact O-CA 3.37Å; F1013-G1017 PolarHBondContact O-N 3Å |
| 1014 | V | 94.9 | Very high | 93.7 | Very high | 22 Ų | 22 | 60 Ų | 60 | 13% | 0.133 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -78.4 | -38.3 | -175.9 | 176.8 | 0 | 0 | 0 | 0 | 112.4 | L898 P899 V902 M1010 H1012 S1018 | L898-V1014 HydrophobicContact CB-CG1 3.52Å; P899-V1014 HydrophobicContact CB-CG1 4.36Å; P899-V1014 HydrophobicContact CG-CG1 4Å; V902-V1014 HydrophobicContact CG2-CB 4.19Å; V902-V1014 HydrophobicContact CG2-CG1 4.14Å; V902-V1014 HydrophobicContact CG2-CG2 3.87Å; M1010-V1014 WeakPolarHBondContact O-CB 3.46Å; M1010-V1014 WeakPolarHBondContact O-CG2 3.18Å; M1010-V1014 PolarHBondContact O-N 3.05Å; H1012-V1014 VanDerWaalsContact C-N 3.34Å; H1012-V1014 PolarHBondContact O-N 3.2Å; V1014-S1018 VanDerWaalsContact O-CB 3.27Å; V1014-S1018 WeakPolarHBondContact O-CB 3.41Å; V1014-S1018 PolarHBondContact O-N 3.41Å; V1014-S1018 PolarHBondContact O-OG 2.96Å |
| 1015 | T | 93.7 | Very high | 93.8 | Very high | 4 Ų | 4 | 61.7 Ų | 61.7 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65 | -53.3 | 179.1 | -56.4 | 0 | 0 | 0 | 0 | 110.9 | T997 A1001 N1011 S1018 I1019 | T997-T1015 HydrophobicContact CG2-CG2 3.71Å; A1001-T1015 HydrophobicContact CB-CG2 4.25Å; N1011-T1015 WeakPolarHBondContact O-CB 3.48Å; N1011-T1015 PolarHBondContact O-N 3.36Å; N1011-T1015 PolarHBondContact O-OG1 3.34Å; T1015-S1018 PolarHBondContact O-N 3.37Å; T1015-I1019 PolarHBondContact O-N 3.33Å |
| 1016 | W | 95.4 | Very high | 93.9 | Very high | 122 Ų | 122 | 57.8 Ų | 57.8 | 46% | 0.462 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -73.4 | -36.5 | 179.4 | -53.3 | 133 | 0 | 0 | 0 | 112 | L998 W1007 H1012 S1018 I1019 A1020 | L998-W1016 HydrophobicContact CD2-CH2 3.99Å; L998-W1016 HydrophobicContact CD2-CZ3 3.74Å; W1007-W1016 HydrophobicContact CH2-CZ2 4.35Å; H1012-W1016 AromaticContact ND1-NE1 3.28Å; H1012-W1016 PolarHBondContact ND1-NE1 2.96Å; H1012-W1016 WeakPolarHBondContact O-CB 3.42Å; H1012-W1016 PolarHBondContact O-N 3.48Å; W1016-S1018 VanDerWaalsContact C-N 3.28Å; W1016-S1018 PolarHBondContact O-N 3.06Å; W1016-I1019 HydrophobicContact CE3-CD1 4.09Å; W1016-I1019 HydrophobicContact CZ3-CD1 4.22Å; W1016-I1019 PolarHBondContact O-N 3.26Å; W1016-A1020 WeakPolarHBondContact O-CB 3.12Å; W1016-A1020 PolarHBondContact O-N 3.45Å |
| 1017 | G | 95.3 | Very high | 94 | Very high | 29 Ų | 29 | 57.5 Ų | 57.5 | 30% | 0.299 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.4 | -34.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1013 A1020 F1021 | F1013-G1017 WeakPolarHBondContact O-CA 3.37Å; F1013-G1017 PolarHBondContact O-N 3Å; G1017-A1020 PolarHBondContact O-N 2.98Å; G1017-F1021 WeakPolarHBondContact O-CB 3.39Å; G1017-F1021 PolarHBondContact O-N 3.45Å |
| 1018 | S | 94.9 | Very high | 93.9 | Very high | 8 Ų | 8 | 58.5 Ų | 58.5 | 6% | 0.056 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.8 | -39.9 | 177.1 | -61.6 | 0 | 0 | 0 | 0 | 112.5 | F895 P899 V1014 T1015 W1016 Y1022 | F895-S1018 WeakPolarHBondContact O-CB 3.49Å; P899-S1018 WeakPolarHBondContact CD-OG 3.4Å; P899-S1018 WeakPolarHBondContact CG-OG 3.37Å; V1014-S1018 VanDerWaalsContact O-CB 3.27Å; V1014-S1018 WeakPolarHBondContact O-CB 3.41Å; V1014-S1018 PolarHBondContact O-N 3.41Å; V1014-S1018 PolarHBondContact O-OG 2.96Å; T1015-S1018 PolarHBondContact O-N 3.37Å; W1016-S1018 VanDerWaalsContact C-N 3.28Å; W1016-S1018 PolarHBondContact O-N 3.06Å; S1018-Y1022 PolarHBondContact O-N 3.36Å |
| 1019 | I | 94.8 | Very high | 93.8 | Very high | 26 Ų | 26 | 58.4 Ų | 58.4 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.8 | -51.4 | 173 | -63.4 | 172.7 | 0 | 0 | 0 | 109.3 | T997 T1015 W1016 F1021 Y1022 F1023 | T997-I1019 HydrophobicContact CG2-CD1 3.92Å; T997-I1019 HydrophobicContact CG2-CG1 3.88Å; T1015-I1019 PolarHBondContact O-N 3.33Å; W1016-I1019 HydrophobicContact CE3-CD1 4.09Å; W1016-I1019 HydrophobicContact CZ3-CD1 4.22Å; W1016-I1019 PolarHBondContact O-N 3.26Å; I1019-F1021 VanDerWaalsContact C-N 3.31Å; I1019-F1021 PolarHBondContact O-N 3.26Å; I1019-Y1022 WeakPolarHBondContact O-CB 3.31Å; I1019-Y1022 PolarHBondContact O-N 3.08Å; I1019-Y1022 VanDerWaalsContact O-N 3.15Å; I1019-F1023 HydrophobicContact CG2-CD2 4.07Å; I1019-F1023 HydrophobicContact CG2-CE2 3.93Å; I1019-F1023 WeakPolarHBondContact O-CD2 3.3Å; I1019-F1023 PolarHBondContact O-N 2.91Å |
| 1020 | A | 95.4 | Very high | 93.4 | Very high | 49 Ų | 49 | 49.7 Ų | 49.7 | 41% | 0.405 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.6 | -42.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | W1016 G1017 Y1022 F1023 I1024 | W1016-A1020 WeakPolarHBondContact O-CB 3.12Å; W1016-A1020 PolarHBondContact O-N 3.45Å; G1017-A1020 PolarHBondContact O-N 2.98Å; A1020-Y1022 VanDerWaalsContact C-N 3.34Å; A1020-Y1022 PolarHBondContact O-N 3.25Å; A1020-F1023 PolarHBondContact O-N 3.45Å; A1020-I1024 VanDerWaalsContact O-CG1 3.28Å; A1020-I1024 WeakPolarHBondContact O-CG1 3.3Å; A1020-I1024 PolarHBondContact O-N 3.2Å |
| 1021 | F | 94.8 | Very high | 93.1 | Very high | 93 Ų | 93 | 48.6 Ų | 48.6 | 41% | 0.408 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60.8 | -41.6 | 176.7 | 177 | -106.7 | 0 | 0 | 0 | 111.9 | C894 F895 G1017 I1019 F1023 I1024 F1025 | C894-F1021 HydrophobicContact CB-CE1 4.14Å; F895-F1021 AromaticContact CD1-CD1 3.83Å; F895-F1021 HydrophobicContact CD1-CD1 3.83Å; F895-F1021 AromaticContact CD1-CE1 3.89Å; F895-F1021 HydrophobicContact CD1-CE1 3.89Å; F895-F1021 AromaticContact CE1-CD1 3.94Å; F895-F1021 HydrophobicContact CE1-CD1 3.94Å; F895-F1021 AromaticContact CE1-CE1 3.71Å; F895-F1021 HydrophobicContact CE1-CE1 3.71Å; G1017-F1021 WeakPolarHBondContact O-CB 3.39Å; G1017-F1021 PolarHBondContact O-N 3.45Å; I1019-F1021 VanDerWaalsContact C-N 3.31Å; I1019-F1021 PolarHBondContact O-N 3.26Å; F1021-F1023 PolarHBondContact O-N 3.02Å; F1021-I1024 PolarHBondContact O-N 3.44Å; F1021-F1025 HydrophobicContact CZ-CD2 4.41Å; F1021-F1025 WeakPolarHBondContact O-CB 3.48Å; F1021-F1025 PolarHBondContact O-N 3.26Å |
| 1022 | Y | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.9 | -46.9 | 174.4 | 165.6 | -107.2 | 0 | 0 | 0 | 112.2 | F895 F989 T990 V993 S1018 I1019 A1020 F1025 S1026 F1046 | F895-Y1022 HydrophobicContact CD1-CD2 4.4Å; F895-Y1022 HydrophobicContact CD2-CD2 4.21Å; F895-Y1022 HydrophobicContact CE1-CD2 4.25Å; F895-Y1022 HydrophobicContact CE2-CD2 4.04Å; F895-Y1022 HydrophobicContact CG-CD2 4.4Å; F895-Y1022 HydrophobicContact CZ-CD2 4.08Å; F989-Y1022 HydrophobicContact CD1-CD2 4.48Å; F989-Y1022 AromaticContact CD1-CE2 3.57Å; F989-Y1022 HydrophobicContact CD1-CE2 3.57Å; F989-Y1022 AromaticContact CD1-CZ 3.84Å; F989-Y1022 HydrophobicContact CE1-CD2 4.03Å; F989-Y1022 AromaticContact CE1-CE2 3.49Å; F989-Y1022 HydrophobicContact CE1-CE2 3.49Å; F989-Y1022 VanDerWaalsContact CE1-CE2 3.49Å; T990-Y1022 HydrophobicContact CG2-CE1 4.13Å; T990-Y1022 PolarHBondContact OG1-OH 3.46Å; V993-Y1022 HydrophobicContact CG1-CD1 4.22Å; V993-Y1022 HydrophobicContact CG1-CG 4.09Å; S1018-Y1022 PolarHBondContact O-N 3.36Å; I1019-Y1022 WeakPolarHBondContact O-CB 3.31Å; I1019-Y1022 PolarHBondContact O-N 3.08Å; I1019-Y1022 VanDerWaalsContact O-N 3.15Å; A1020-Y1022 VanDerWaalsContact C-N 3.34Å; A1020-Y1022 PolarHBondContact O-N 3.25Å; Y1022-F1025 PolarHBondContact O-N 2.93Å; Y1022-S1026 WeakPolarHBondContact CD2-OG 3.43Å; Y1022-S1026 WeakPolarHBondContact CE2-OG 3.18Å; Y1022-S1026 VanDerWaalsContact O-CB 3.29Å; Y1022-S1026 WeakPolarHBondContact O-CB 3.42Å; Y1022-S1026 PolarHBondContact O-N 3.37Å; Y1022-S1026 PolarHBondContact O-OG 3.02Å; Y1022-F1046 HydrophobicContact CE1-CE2 4.29Å; Y1022-F1046 HydrophobicContact CE1-CZ 4.27Å |
| 1023 | F | 94.2 | Very high | 92.4 | Very high | 34 Ų | 34 | 52.9 Ų | 52.9 | 15% | 0.149 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64 | -46.3 | 178.2 | -83.4 | -93.1 | 0 | 0 | 0 | 112 | T990 I994 I1019 A1020 F1021 S1026 L1027 F1046 L1050 W1056 | T990-F1023 HydrophobicContact CG2-CZ 4.18Å; I994-F1023 HydrophobicContact CD1-CE2 4.15Å; I994-F1023 HydrophobicContact CD1-CZ 4.15Å; I1019-F1023 HydrophobicContact CG2-CD2 4.07Å; I1019-F1023 HydrophobicContact CG2-CE2 3.93Å; I1019-F1023 WeakPolarHBondContact O-CD2 3.3Å; I1019-F1023 PolarHBondContact O-N 2.91Å; A1020-F1023 PolarHBondContact O-N 3.45Å; F1021-F1023 PolarHBondContact O-N 3.02Å; F1023-S1026 PolarHBondContact O-N 3.44Å; F1023-L1027 WeakPolarHBondContact O-CB 3.48Å; F1023-L1027 WeakPolarHBondContact O-CG 3.49Å; F1023-L1027 PolarHBondContact O-N 3.49Å; F1023-F1046 AromaticContact CD1-CE1 3.98Å; F1023-F1046 HydrophobicContact CD1-CE1 3.98Å; F1023-F1046 AromaticContact CD1-CZ 3.61Å; F1023-F1046 HydrophobicContact CD1-CZ 3.61Å; F1023-F1046 HydrophobicContact CE1-CZ 4Å; F1023-F1046 HydrophobicContact CG-CZ 4.24Å; F1023-L1050 HydrophobicContact CD1-CD1 4.22Å; F1023-L1050 HydrophobicContact CD1-CD2 4.25Å; F1023-L1050 HydrophobicContact CE1-CD2 3.74Å; F1023-W1056 AromaticContact CE1-CH2 3.66Å; F1023-W1056 HydrophobicContact CE1-CH2 3.66Å; F1023-W1056 HydrophobicContact CE1-CZ2 4.5Å; F1023-W1056 HydrophobicContact CE1-CZ3 4.21Å; F1023-W1056 HydrophobicContact CZ-CH2 4.14Å; F1023-W1056 HydrophobicContact CZ-CZ3 4.25Å |
| 1024 | I | 94.3 | Very high | 91.9 | Very high | 112 Ų | 112 | 48.5 Ų | 48.5 | 57% | 0.574 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -62 | -46.4 | 178.6 | -67.3 | 165.6 | 0 | 0 | 0 | 110.5 | A1020 F1021 L1027 F1028 | A1020-I1024 VanDerWaalsContact O-CG1 3.28Å; A1020-I1024 WeakPolarHBondContact O-CG1 3.3Å; A1020-I1024 PolarHBondContact O-N 3.2Å; F1021-I1024 PolarHBondContact O-N 3.44Å; I1024-L1027 PolarHBondContact O-N 3.28Å; I1024-F1028 WeakPolarHBondContact O-CB 3.47Å; I1024-F1028 PolarHBondContact O-N 3.48Å |
| 1025 | F | 93.6 | Very high | 91.3 | Very high | 43 Ų | 43 | 53.6 Ų | 53.6 | 19% | 0.189 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 179.2 | 179.4 | -89.5 | 0 | 0 | 0 | 111.4 | V886 Y887 L890 F895 F1021 Y1022 L1027 F1028 Y1029 | V886-F1025 HydrophobicContact CG1-CE1 3.79Å; V886-F1025 HydrophobicContact CG1-CZ 3.62Å; Y887-F1025 HydrophobicContact CE1-CD1 4.49Å; Y887-F1025 HydrophobicContact CE1-CE1 4.33Å; L890-F1025 HydrophobicContact CD1-CD1 4.19Å; L890-F1025 HydrophobicContact CD1-CD2 4.36Å; L890-F1025 HydrophobicContact CD1-CE1 3.47Å; L890-F1025 VanDerWaalsContact CD1-CE1 3.47Å; L890-F1025 HydrophobicContact CD1-CE2 3.67Å; L890-F1025 HydrophobicContact CD1-CZ 3.17Å; F895-F1025 HydrophobicContact CE1-CB 4.2Å; F895-F1025 HydrophobicContact CE1-CD1 4.08Å; F895-F1025 HydrophobicContact CE1-CG 4.15Å; F895-F1025 AromaticContact CZ-CD1 3.57Å; F895-F1025 HydrophobicContact CZ-CD1 3.57Å; F895-F1025 HydrophobicContact CZ-CE1 4.07Å; F895-F1025 HydrophobicContact CZ-CG 4.12Å; F1021-F1025 HydrophobicContact CZ-CD2 4.41Å; F1021-F1025 WeakPolarHBondContact O-CB 3.48Å; F1021-F1025 PolarHBondContact O-N 3.26Å; Y1022-F1025 PolarHBondContact O-N 2.93Å; F1025-L1027 PolarHBondContact O-N 2.91Å; F1025-F1028 PolarHBondContact O-N 3.5Å; F1025-Y1029 HydrophobicContact CE1-CG 4.26Å; F1025-Y1029 HydrophobicContact CZ-CG 4.46Å; F1025-Y1029 VanDerWaalsContact O-CB 3.26Å; F1025-Y1029 WeakPolarHBondContact O-CB 3.37Å; F1025-Y1029 PolarHBondContact O-N 3.48Å |
| 1026 | S | 91.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.7 | -35.1 | -178.4 | -56.4 | 0 | 0 | 0 | 0 | 112.1 | Y887 Y1022 F1023 G1030 F1046 | Y887-S1026 WeakPolarHBondContact OH-CB 3.35Å; Y887-S1026 PolarHBondContact OH-OG 2.77Å; Y1022-S1026 WeakPolarHBondContact CD2-OG 3.43Å; Y1022-S1026 WeakPolarHBondContact CE2-OG 3.18Å; Y1022-S1026 VanDerWaalsContact O-CB 3.29Å; Y1022-S1026 WeakPolarHBondContact O-CB 3.42Å; Y1022-S1026 PolarHBondContact O-N 3.37Å; Y1022-S1026 PolarHBondContact O-OG 3.02Å; F1023-S1026 PolarHBondContact O-N 3.44Å; S1026-G1030 PolarHBondContact O-N 3.46Å; S1026-F1046 VanDerWaalsContact CB-CD1 3.49Å; S1026-F1046 VanDerWaalsContact CB-CE1 3.49Å |
| 1027 | L | 92.1 | Very high | 90 | Very high | 77 Ų | 77 | 57.2 Ų | 57.2 | 40% | 0.403 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 170.6 | -77.5 | 170.9 | 0 | 0 | 0 | 112.1 | F1023 I1024 F1025 G1031 F1046 V1047 L1050 | F1023-L1027 WeakPolarHBondContact O-CB 3.48Å; F1023-L1027 WeakPolarHBondContact O-CG 3.49Å; F1023-L1027 PolarHBondContact O-N 3.49Å; I1024-L1027 PolarHBondContact O-N 3.28Å; F1025-L1027 PolarHBondContact O-N 2.91Å; L1027-G1031 WeakPolarHBondContact O-CA 3.48Å; L1027-G1031 PolarHBondContact O-N 3.35Å; L1027-F1046 HydrophobicContact CB-CD1 4.47Å; L1027-F1046 HydrophobicContact CD2-CD1 3.85Å; L1027-F1046 HydrophobicContact CD2-CE1 4.32Å; L1027-F1046 HydrophobicContact CG-CD1 3.79Å; L1027-F1046 HydrophobicContact CG-CE1 3.9Å; L1027-V1047 HydrophobicContact CD2-CG2 3.97Å; L1027-L1050 HydrophobicContact CD2-CD1 4.07Å; L1027-L1050 HydrophobicContact CG-CD1 4.44Å |
| 1028 | F | 91.1 | Very high | 88.9 | Confident | 109 Ų | 109 | 65.1 Ų | 65.1 | 48% | 0.478 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68.5 | -47.1 | 179.8 | 178.3 | -104.2 | 0 | 0 | 0 | 112 | I1024 F1025 G1031 I1032 W1034 | I1024-F1028 WeakPolarHBondContact O-CB 3.47Å; I1024-F1028 PolarHBondContact O-N 3.48Å; F1025-F1028 PolarHBondContact O-N 3.5Å; F1028-G1031 PolarHBondContact O-N 3.35Å; F1028-I1032 HydrophobicContact CD2-CD1 3.64Å; F1028-I1032 HydrophobicContact CE2-CD1 3.27Å; F1028-I1032 HydrophobicContact CG-CD1 4.46Å; F1028-I1032 HydrophobicContact CZ-CD1 3.84Å; F1028-I1032 PolarHBondContact O-N 3.03Å; F1028-W1034 HydrophobicContact CD1-CH2 4.42Å; F1028-W1034 AromaticContact CD1-CZ2 3.95Å; F1028-W1034 HydrophobicContact CD1-CZ2 3.95Å; F1028-W1034 AromaticContact CE1-CH2 3.42Å; F1028-W1034 HydrophobicContact CE1-CH2 3.42Å; F1028-W1034 VanDerWaalsContact CE1-CH2 3.42Å; F1028-W1034 AromaticContact CE1-CZ2 3.38Å; F1028-W1034 HydrophobicContact CE1-CZ2 3.38Å; F1028-W1034 AromaticContact CZ-CH2 3.59Å; F1028-W1034 HydrophobicContact CZ-CH2 3.59Å; F1028-W1034 AromaticContact CZ-CZ2 3.83Å; F1028-W1034 HydrophobicContact CZ-CZ2 3.83Å |
| 1029 | Y | 89.8 | Confident | 87.8 | Confident | 25 Ų | 25 | 68.4 Ų | 68.4 | 10% | 0.098 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.5 | -46.4 | 180 | 178.3 | -119.5 | 0 | 0 | 0 | 111.8 | D884 V886 Y887 F1025 W1034 L1037 M1042 | D884-Y1029 VanDerWaalsContact OD2-CE1 3.26Å; D884-Y1029 WeakPolarHBondContact OD2-CE1 3.3Å; D884-Y1029 PolarHBondContact OD2-OH 2.88Å; V886-Y1029 HydrophobicContact CB-CE1 4.13Å; V886-Y1029 HydrophobicContact CB-CE2 4.37Å; V886-Y1029 HydrophobicContact CG1-CE2 4.48Å; V886-Y1029 HydrophobicContact CG2-CE1 4.35Å; V886-Y1029 HydrophobicContact CG2-CE2 3.87Å; V886-Y1029 VanDerWaalsContact CG2-OH 3.24Å; V886-Y1029 WeakPolarHBondContact CG2-OH 3.3Å; Y887-Y1029 HydrophobicContact CE1-CD1 4.37Å; F1025-Y1029 HydrophobicContact CE1-CG 4.26Å; F1025-Y1029 HydrophobicContact CZ-CG 4.46Å; F1025-Y1029 VanDerWaalsContact O-CB 3.26Å; F1025-Y1029 WeakPolarHBondContact O-CB 3.37Å; F1025-Y1029 PolarHBondContact O-N 3.48Å; Y1029-W1034 AromaticContact CD2-NE1 3.85Å; Y1029-W1034 PolarHBondContact O-NE1 3.01Å; Y1029-L1037 HydrophobicContact CE2-CD1 4Å; Y1029-M1042 HydrophobicContact CD1-CB 4.39Å; Y1029-M1042 HydrophobicContact CE1-CB 3.9Å; Y1029-M1042 HydrophobicContact CE1-CG 3.99Å |
| 1030 | G | 87.4 | Confident | 87.2 | Confident | 2 Ų | 2 | 70.2 Ų | 70.2 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -80.2 | -14 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S1026 M1042 F1044 | S1026-G1030 PolarHBondContact O-N 3.46Å; G1030-M1042 WeakPolarHBondContact CA-O 3.29Å; G1030-F1044 PolarHBondContact O-N 3.32Å |
| 1031 | G | 85.3 | Confident | 86.5 | Confident | 39 Ų | 39 | 71.4 Ų | 71.4 | 40% | 0.402 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -89.1 | -22 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1027 F1028 | L1027-G1031 WeakPolarHBondContact O-CA 3.48Å; L1027-G1031 PolarHBondContact O-N 3.35Å; F1028-G1031 PolarHBondContact O-N 3.35Å |
| 1032 | I | 87.5 | Confident | 86.1 | Confident | 70 Ų | 70 | 67.6 Ų | 67.6 | 36% | 0.359 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -111.3 | 139.3 | -175.1 | -60.2 | 176.2 | 0 | 0 | 0 | 109.8 | F1028 W1034 | F1028-I1032 HydrophobicContact CD2-CD1 3.64Å; F1028-I1032 HydrophobicContact CE2-CD1 3.27Å; F1028-I1032 HydrophobicContact CG-CD1 4.46Å; F1028-I1032 HydrophobicContact CZ-CD1 3.84Å; F1028-I1032 PolarHBondContact O-N 3.03Å; I1032-W1034 HydrophobicContact CB-CZ2 4.32Å; I1032-W1034 HydrophobicContact CD1-CZ2 4.44Å; I1032-W1034 HydrophobicContact CG2-CD2 4.38Å; I1032-W1034 HydrophobicContact CG2-CZ2 4.45Å; I1032-W1034 PolarHBondContact O-NE1 3.27Å |
| 1033 | I | 84.4 | Confident | 85.7 | Confident | 103 Ų | 103 | 73.2 Ų | 73.2 | 53% | 0.528 | 37% | 0.37 | S | S | . | . | trans | -82.5 | 119 | 170.3 | -59.6 | 174.8 | 0 | 0 | 0 | 108.1 | P1035 Q1040 Y1043 | I1033-P1035 WeakPolarHBondContact O-CD 3.37Å; I1033-Q1040 HydrophobicContact CG2-CG 4.25Å; I1033-Y1043 HydrophobicContact CD1-CE2 4.19Å; I1033-Y1043 HydrophobicContact CG1-CD2 3.82Å; I1033-Y1043 HydrophobicContact CG1-CE2 3.64Å | ||
| 1034 | W | 84.3 | Confident | 85.3 | Confident | 52 Ų | 52 | 76.4 Ų | 76.4 | 20% | 0.197 | 38% | 0.384 | C | S | . | . | trans | -96.1 | 116.1 | -174.1 | -66.9 | 98.5 | 0 | 0 | 0 | 111.5 | F1028 Y1029 I1032 F1036 L1037 Q1040 | F1028-W1034 HydrophobicContact CD1-CH2 4.42Å; F1028-W1034 AromaticContact CD1-CZ2 3.95Å; F1028-W1034 HydrophobicContact CD1-CZ2 3.95Å; F1028-W1034 AromaticContact CE1-CH2 3.42Å; F1028-W1034 HydrophobicContact CE1-CH2 3.42Å; F1028-W1034 VanDerWaalsContact CE1-CH2 3.42Å; F1028-W1034 AromaticContact CE1-CZ2 3.38Å; F1028-W1034 HydrophobicContact CE1-CZ2 3.38Å; F1028-W1034 AromaticContact CZ-CH2 3.59Å; F1028-W1034 HydrophobicContact CZ-CH2 3.59Å; F1028-W1034 AromaticContact CZ-CZ2 3.83Å; F1028-W1034 HydrophobicContact CZ-CZ2 3.83Å; Y1029-W1034 AromaticContact CD2-NE1 3.85Å; Y1029-W1034 PolarHBondContact O-NE1 3.01Å; I1032-W1034 HydrophobicContact CB-CZ2 4.32Å; I1032-W1034 HydrophobicContact CD1-CZ2 4.44Å; I1032-W1034 HydrophobicContact CG2-CD2 4.38Å; I1032-W1034 HydrophobicContact CG2-CZ2 4.45Å; I1032-W1034 PolarHBondContact O-NE1 3.27Å; W1034-F1036 HydrophobicContact CB-CD1 4.47Å; W1034-F1036 HydrophobicContact CB-CE1 4.12Å; W1034-F1036 HydrophobicContact CB-CE2 4.44Å; W1034-F1036 HydrophobicContact CB-CZ 4.08Å; W1034-F1036 HydrophobicContact CD2-CE1 4Å; W1034-F1036 AromaticContact CD2-CZ 3.94Å; W1034-F1036 HydrophobicContact CD2-CZ 3.94Å; W1034-F1036 HydrophobicContact CE3-CD1 4.31Å; W1034-F1036 AromaticContact CE3-CE1 3.29Å; W1034-F1036 HydrophobicContact CE3-CE1 3.29Å; W1034-F1036 AromaticContact CE3-CZ 3.64Å; W1034-F1036 HydrophobicContact CE3-CZ 3.64Å; W1034-F1036 HydrophobicContact CG-CE1 4.37Å; W1034-F1036 HydrophobicContact CG-CZ 4.16Å; W1034-F1036 AromaticContact CZ3-CE1 3.95Å; W1034-F1036 HydrophobicContact CZ3-CE1 3.95Å; W1034-F1036 HydrophobicContact CZ3-CZ 4.32Å; W1034-F1036 PolarHBondContact O-N 3.32Å; W1034-F1036 VanDerWaalsContact O-N 3.11Å; W1034-L1037 HydrophobicContact CB-CB 4.27Å; W1034-L1037 HydrophobicContact CB-CD1 3.7Å; W1034-L1037 HydrophobicContact CB-CG 3.78Å; W1034-L1037 HydrophobicContact CG-CD1 4.04Å; W1034-L1037 PolarHBondContact O-N 3.23Å; W1034-L1037 VanDerWaalsContact O-N 3.14Å; W1034-Q1040 VanDerWaalsContact N-OE1 3.14Å; W1034-Q1040 PolarHBondContact O-NE2 3.02Å | ||
| 1035 | P | 82.9 | Confident | 84.9 | Confident | 129 Ų | 129 | 71.7 Ų | 71.7 | 84% | 0.838 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -20.5 | -175 | -23.3 | 33.5 | 0 | 0 | 0 | 115 | I1033 | I1033-P1035 WeakPolarHBondContact O-CD 3.37Š|
| 1036 | F | 82.8 | Confident | 84.6 | Confident | 151 Ų | 151 | 69.8 Ų | 69.8 | 66% | 0.662 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -7.1 | -178.9 | 61.5 | -100.9 | 0 | 0 | 0 | 113.6 | W1034 | W1034-F1036 HydrophobicContact CB-CD1 4.47Å; W1034-F1036 HydrophobicContact CB-CE1 4.12Å; W1034-F1036 HydrophobicContact CB-CE2 4.44Å; W1034-F1036 HydrophobicContact CB-CZ 4.08Å; W1034-F1036 HydrophobicContact CD2-CE1 4Å; W1034-F1036 AromaticContact CD2-CZ 3.94Å; W1034-F1036 HydrophobicContact CD2-CZ 3.94Å; W1034-F1036 HydrophobicContact CE3-CD1 4.31Å; W1034-F1036 AromaticContact CE3-CE1 3.29Å; W1034-F1036 HydrophobicContact CE3-CE1 3.29Å; W1034-F1036 AromaticContact CE3-CZ 3.64Å; W1034-F1036 HydrophobicContact CE3-CZ 3.64Å; W1034-F1036 HydrophobicContact CG-CE1 4.37Å; W1034-F1036 HydrophobicContact CG-CZ 4.16Å; W1034-F1036 AromaticContact CZ3-CE1 3.95Å; W1034-F1036 HydrophobicContact CZ3-CE1 3.95Å; W1034-F1036 HydrophobicContact CZ3-CZ 4.32Å; W1034-F1036 PolarHBondContact O-N 3.32Å; W1034-F1036 VanDerWaalsContact O-N 3.11Å |
| 1037 | L | 78.9 | Confident | 84.4 | Confident | 50 Ų | 50 | 71.6 Ų | 71.6 | 26% | 0.262 | 36% | 0.362 | S | S | . | . | trans | -89.2 | 129.2 | 175.8 | -66.3 | 179.2 | 0 | 0 | 0 | 109.9 | Y1029 W1034 T1039 Q1040 | Y1029-L1037 HydrophobicContact CE2-CD1 4Å; W1034-L1037 HydrophobicContact CB-CB 4.27Å; W1034-L1037 HydrophobicContact CB-CD1 3.7Å; W1034-L1037 HydrophobicContact CB-CG 3.78Å; W1034-L1037 HydrophobicContact CG-CD1 4.04Å; W1034-L1037 PolarHBondContact O-N 3.23Å; W1034-L1037 VanDerWaalsContact O-N 3.14Å; L1037-T1039 VanDerWaalsContact C-N 3.35Å; L1037-Q1040 PolarHBondContact O-NE2 3.08Å | ||
| 1038 | H | 72.7 | Confident | 83.9 | Confident | 195 Ų | 195 | 69.8 Ų | 69.8 | 90% | 0.903 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -69.6 | -32.5 | -179.9 | -166.8 | -82 | 0 | 0 | 0 | 112.3 | ||
| 1039 | T | 71.9 | Confident | 83.6 | Confident | 77 Ų | 77 | 64.7 Ų | 64.7 | 47% | 0.472 | 33% | 0.33 | S | S | . | . | trans | -126.8 | 144.8 | 174.5 | 59 | 0 | 0 | 0 | 0 | 110.3 | L1037 D1041 | L1037-T1039 VanDerWaalsContact C-N 3.35Å; T1039-D1041 WeakPolarHBondContact CB-OD2 3.38Å; T1039-D1041 PolarHBondContact OG1-OD2 3.24Å | ||
| 1040 | Q | 81.6 | Confident | 83.3 | Confident | 65 Ų | 65 | 65.1 Ų | 65.1 | 30% | 0.304 | 33% | 0.333 | S | S | . | . | trans | -107.7 | 44.8 | -177.5 | -58.2 | -66.4 | -42.3 | 0 | 0 | 110.9 | I1033 W1034 L1037 M1042 Y1043 | I1033-Q1040 HydrophobicContact CG2-CG 4.25Å; W1034-Q1040 VanDerWaalsContact N-OE1 3.14Å; W1034-Q1040 PolarHBondContact O-NE2 3.02Å; L1037-Q1040 PolarHBondContact O-NE2 3.08Å; Q1040-M1042 PolarHBondContact O-N 3.13Å; Q1040-Y1043 WeakPolarHBondContact O-CB 3.49Å; Q1040-Y1043 PolarHBondContact O-N 2.71Å; Q1040-Y1043 VanDerWaalsContact O-N 3.15Å | ||
| 1041 | D | 81.4 | Confident | 83.1 | Confident | 74 Ų | 74 | 68.8 Ų | 68.8 | 40% | 0.396 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -24.5 | -166.8 | -61.5 | -38.4 | 0 | 0 | 0 | 113.9 | W982 T1039 | W982-D1041 HydrophobicContact CD2-CB 4.48Å; W982-D1041 HydrophobicContact CZ2-CB 4.21Å; T1039-D1041 WeakPolarHBondContact CB-OD2 3.38Å; T1039-D1041 PolarHBondContact OG1-OD2 3.24Å |
| 1042 | M | 84.7 | Confident | 82.8 | Confident | 13 Ų | 13 | 67.4 Ų | 67.4 | 6% | 0.064 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 2.5 | 179.9 | -77.7 | -66.4 | -163.9 | 0 | 0 | 114.3 | D884 Y887 W982 Y1029 G1030 Q1040 F1044 V1045 | D884-M1042 HydrophobicContact CB-CE 3.31Å; D884-M1042 HydrophobicContact CB-CG 3.96Å; D884-M1042 HydrophobicContact CB-SD 4.48Å; Y887-M1042 HydrophobicContact CD2-CE 4Å; Y887-M1042 HydrophobicContact CE2-CE 3.67Å; W982-M1042 HydrophobicContact CB-CE 4.45Å; W982-M1042 HydrophobicContact CB-SD 4.17Å; W982-M1042 HydrophobicContact CE3-CE 3.91Å; Y1029-M1042 HydrophobicContact CD1-CB 4.39Å; Y1029-M1042 HydrophobicContact CE1-CB 3.9Å; Y1029-M1042 HydrophobicContact CE1-CG 3.99Å; G1030-M1042 WeakPolarHBondContact CA-O 3.29Å; Q1040-M1042 PolarHBondContact O-N 3.13Å; M1042-F1044 PolarHBondContact O-N 2.59Å; M1042-V1045 PolarHBondContact O-N 2.87Å; M1042-V1045 HydrophobicContact SD-CB 4.26Å; M1042-V1045 HydrophobicContact SD-CG1 4.22Å; M1042-V1045 HydrophobicContact SD-CG2 4.46Å |
| 1043 | Y | 87.1 | Confident | 82.4 | Confident | 118 Ų | 118 | 66.1 Ų | 66.1 | 46% | 0.463 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | 124.2 | -178.1 | -178.4 | -108.8 | 0 | 0 | 0 | 111.4 | I1033 Q1040 V1045 | I1033-Y1043 HydrophobicContact CD1-CE2 4.19Å; I1033-Y1043 HydrophobicContact CG1-CD2 3.82Å; I1033-Y1043 HydrophobicContact CG1-CE2 3.64Å; Q1040-Y1043 WeakPolarHBondContact O-CB 3.49Å; Q1040-Y1043 PolarHBondContact O-N 2.71Å; Q1040-Y1043 VanDerWaalsContact O-N 3.15Å; Y1043-V1045 PolarHBondContact O-N 3.2Å |
| 1044 | F | 86.2 | Confident | 82.1 | Confident | 101 Ų | 101 | 62.5 Ų | 62.5 | 44% | 0.443 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | -0 | 179.8 | -148.9 | -107.3 | 0 | 0 | 0 | 116.7 | G1030 M1042 F1046 V1047 Q1048 | G1030-F1044 PolarHBondContact O-N 3.32Å; M1042-F1044 PolarHBondContact O-N 2.59Å; F1044-F1046 PolarHBondContact O-N 3.47Å; F1044-V1047 HydrophobicContact CD1-CB 4.47Å; F1044-V1047 HydrophobicContact CD2-CB 3.96Å; F1044-V1047 HydrophobicContact CD2-CG1 4.23Å; F1044-V1047 HydrophobicContact CD2-CG2 4.21Å; F1044-V1047 HydrophobicContact CE1-CB 4.36Å; F1044-V1047 HydrophobicContact CE1-CG1 4.12Å; F1044-V1047 HydrophobicContact CE2-CB 3.84Å; F1044-V1047 HydrophobicContact CE2-CG1 3.57Å; F1044-V1047 HydrophobicContact CE2-CG2 4.23Å; F1044-V1047 HydrophobicContact CG-CB 4.29Å; F1044-V1047 HydrophobicContact CZ-CB 4.05Å; F1044-V1047 HydrophobicContact CZ-CG1 3.51Å; F1044-V1047 PolarHBondContact O-N 3.42Å; F1044-Q1048 HydrophobicContact CD1-CB 4.47Å; F1044-Q1048 WeakPolarHBondContact O-CB 3.37Å; F1044-Q1048 PolarHBondContact O-N 3.09Å |
| 1045 | V | 86.2 | Confident | 81.9 | Confident | 13 Ų | 13 | 60 Ų | 60 | 8% | 0.079 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.3 | -47.5 | -177.9 | 172.4 | 0 | 0 | 0 | 0 | 112 | W982 T983 M1042 Y1043 Q1048 L1049 | W982-V1045 HydrophobicContact CB-CG1 4.41Å; W982-V1045 HydrophobicContact CB-CG2 4.35Å; T983-V1045 HydrophobicContact CG2-CG1 4.18Å; M1042-V1045 PolarHBondContact O-N 2.87Å; M1042-V1045 HydrophobicContact SD-CB 4.26Å; M1042-V1045 HydrophobicContact SD-CG1 4.22Å; M1042-V1045 HydrophobicContact SD-CG2 4.46Å; Y1043-V1045 PolarHBondContact O-N 3.2Å; V1045-Q1048 PolarHBondContact O-N 2.98Å; V1045-L1049 PolarHBondContact O-N 3.29Å; V1045-L1049 VanDerWaalsContact O-N 3.09Å |
| 1046 | F | 88 | Confident | 82.1 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 1% | 0.013 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.6 | -39.2 | -178.2 | -165.2 | -118.1 | 0 | 0 | 0 | 112.2 | T986 Y1022 F1023 S1026 L1027 F1044 Q1048 L1049 L1050 | T986-F1046 HydrophobicContact CG2-CD2 3.58Å; T986-F1046 HydrophobicContact CG2-CE2 4.18Å; Y1022-F1046 HydrophobicContact CE1-CE2 4.29Å; Y1022-F1046 HydrophobicContact CE1-CZ 4.27Å; F1023-F1046 AromaticContact CD1-CE1 3.98Å; F1023-F1046 HydrophobicContact CD1-CE1 3.98Å; F1023-F1046 AromaticContact CD1-CZ 3.61Å; F1023-F1046 HydrophobicContact CD1-CZ 3.61Å; F1023-F1046 HydrophobicContact CE1-CZ 4Å; F1023-F1046 HydrophobicContact CG-CZ 4.24Å; S1026-F1046 VanDerWaalsContact CB-CD1 3.49Å; S1026-F1046 VanDerWaalsContact CB-CE1 3.49Å; L1027-F1046 HydrophobicContact CB-CD1 4.47Å; L1027-F1046 HydrophobicContact CD2-CD1 3.85Å; L1027-F1046 HydrophobicContact CD2-CE1 4.32Å; L1027-F1046 HydrophobicContact CG-CD1 3.79Å; L1027-F1046 HydrophobicContact CG-CE1 3.9Å; F1044-F1046 PolarHBondContact O-N 3.47Å; F1046-Q1048 VanDerWaalsContact C-N 3.33Å; F1046-Q1048 PolarHBondContact O-N 3.01Å; F1046-L1049 PolarHBondContact O-N 3.29Å; F1046-L1050 HydrophobicContact CD1-CD1 3.8Å; F1046-L1050 HydrophobicContact CD1-CG 4.29Å; F1046-L1050 HydrophobicContact CE1-CD1 3.45Å; F1046-L1050 VanDerWaalsContact CE1-CD1 3.45Å; F1046-L1050 HydrophobicContact CE1-CD2 4.44Å; F1046-L1050 HydrophobicContact CE1-CG 4.1Å; F1046-L1050 HydrophobicContact CE2-CD2 4.38Å; F1046-L1050 HydrophobicContact CZ-CD1 3.96Å; F1046-L1050 HydrophobicContact CZ-CD2 4.12Å; F1046-L1050 HydrophobicContact CZ-CG 4.24Å; F1046-L1050 WeakPolarHBondContact O-CG 3.41Å; F1046-L1050 PolarHBondContact O-N 2.86Å |
| 1047 | V | 86.4 | Confident | 82.3 | Confident | 37 Ų | 37 | 58.7 Ų | 58.7 | 22% | 0.224 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.2 | -42 | 177.6 | 179.6 | 0 | 0 | 0 | 0 | 110.7 | L1027 F1044 L1050 S1051 | L1027-V1047 HydrophobicContact CD2-CG2 3.97Å; F1044-V1047 HydrophobicContact CD1-CB 4.47Å; F1044-V1047 HydrophobicContact CD2-CB 3.96Å; F1044-V1047 HydrophobicContact CD2-CG1 4.23Å; F1044-V1047 HydrophobicContact CD2-CG2 4.21Å; F1044-V1047 HydrophobicContact CE1-CB 4.36Å; F1044-V1047 HydrophobicContact CE1-CG1 4.12Å; F1044-V1047 HydrophobicContact CE2-CB 3.84Å; F1044-V1047 HydrophobicContact CE2-CG1 3.57Å; F1044-V1047 HydrophobicContact CE2-CG2 4.23Å; F1044-V1047 HydrophobicContact CG-CB 4.29Å; F1044-V1047 HydrophobicContact CZ-CB 4.05Å; F1044-V1047 HydrophobicContact CZ-CG1 3.51Å; F1044-V1047 PolarHBondContact O-N 3.42Å; V1047-L1050 PolarHBondContact O-N 3.4Å; V1047-S1051 WeakPolarHBondContact O-CB 3.33Å; V1047-S1051 PolarHBondContact O-N 2.88Å; V1047-S1051 PolarHBondContact O-OG 3.48Å |
| 1048 | Q | 82.3 | Confident | 82.6 | Confident | 40 Ų | 40 | 56.7 Ų | 56.7 | 19% | 0.187 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 175.6 | -176.9 | 176.9 | -12.8 | 0 | 0 | 111.9 | L977 F979 F1044 V1045 F1046 S1051 | L977-Q1048 HydrophobicContact CD2-CG 4.21Å; F979-Q1048 HydrophobicContact CE1-CG 4.34Å; F1044-Q1048 HydrophobicContact CD1-CB 4.47Å; F1044-Q1048 WeakPolarHBondContact O-CB 3.37Å; F1044-Q1048 PolarHBondContact O-N 3.09Å; V1045-Q1048 PolarHBondContact O-N 2.98Å; F1046-Q1048 VanDerWaalsContact C-N 3.33Å; F1046-Q1048 PolarHBondContact O-N 3.01Å; Q1048-S1051 PolarHBondContact O-N 3.3Å |
| 1049 | L | 83.4 | Confident | 83.5 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.1 | -47.4 | 177 | -176 | 66.5 | 0 | 0 | 0 | 111.9 | T983 T986 L987 V1045 F1046 S1051 C1052 A1055 | T983-L1049 HydrophobicContact CG2-CB 4.13Å; T983-L1049 HydrophobicContact CG2-CD1 4.08Å; T986-L1049 HydrophobicContact CG2-CD2 3.95Å; L987-L1049 HydrophobicContact CB-CD1 4.09Å; L987-L1049 HydrophobicContact CB-CD2 4.23Å; L987-L1049 HydrophobicContact CD1-CD1 4.24Å; V1045-L1049 PolarHBondContact O-N 3.29Å; V1045-L1049 VanDerWaalsContact O-N 3.09Å; F1046-L1049 PolarHBondContact O-N 3.29Å; L1049-S1051 VanDerWaalsContact C-N 3.31Å; L1049-S1051 PolarHBondContact O-N 3.46Å; L1049-C1052 PolarHBondContact O-N 2.95Å; L1049-A1055 HydrophobicContact CD1-CB 3.98Å; L1049-A1055 WeakPolarHBondContact O-CB 3.29Å |
| 1050 | L | 83.6 | Confident | 84.5 | Confident | 33 Ų | 33 | 47.6 Ų | 47.6 | 17% | 0.173 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71.9 | -23.2 | -178.6 | -62 | -176.1 | 0 | 0 | 0 | 113.7 | F1023 L1027 F1046 V1047 C1052 W1056 | F1023-L1050 HydrophobicContact CD1-CD1 4.22Å; F1023-L1050 HydrophobicContact CD1-CD2 4.25Å; F1023-L1050 HydrophobicContact CE1-CD2 3.74Å; L1027-L1050 HydrophobicContact CD2-CD1 4.07Å; L1027-L1050 HydrophobicContact CG-CD1 4.44Å; F1046-L1050 HydrophobicContact CD1-CD1 3.8Å; F1046-L1050 HydrophobicContact CD1-CG 4.29Å; F1046-L1050 HydrophobicContact CE1-CD1 3.45Å; F1046-L1050 VanDerWaalsContact CE1-CD1 3.45Å; F1046-L1050 HydrophobicContact CE1-CD2 4.44Å; F1046-L1050 HydrophobicContact CE1-CG 4.1Å; F1046-L1050 HydrophobicContact CE2-CD2 4.38Å; F1046-L1050 HydrophobicContact CZ-CD1 3.96Å; F1046-L1050 HydrophobicContact CZ-CD2 4.12Å; F1046-L1050 HydrophobicContact CZ-CG 4.24Å; F1046-L1050 WeakPolarHBondContact O-CG 3.41Å; F1046-L1050 PolarHBondContact O-N 2.86Å; V1047-L1050 PolarHBondContact O-N 3.4Å; L1050-C1052 PolarHBondContact O-N 3.15Å; L1050-W1056 HydrophobicContact CB-CZ2 4.33Å; L1050-W1056 HydrophobicContact CD2-CH2 3.97Å; L1050-W1056 HydrophobicContact CD2-CZ2 3.54Å; L1050-W1056 HydrophobicContact CG-CZ2 4.37Å; L1050-W1056 PolarHBondContact O-NE1 3.37Å |
| 1051 | S | 82.6 | Confident | 85 | Confident | 80 Ų | 80 | 48 Ų | 48 | 56% | 0.559 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -13 | 176.8 | -59.9 | 0 | 0 | 0 | 0 | 112.7 | V1047 Q1048 L1049 | V1047-S1051 WeakPolarHBondContact O-CB 3.33Å; V1047-S1051 PolarHBondContact O-N 2.88Å; V1047-S1051 PolarHBondContact O-OG 3.48Å; Q1048-S1051 PolarHBondContact O-N 3.3Å; L1049-S1051 VanDerWaalsContact C-N 3.31Å; L1049-S1051 PolarHBondContact O-N 3.46Å |
| 1052 | C | 79.3 | Confident | 85.6 | Confident | 9 Ų | 9 | 44.9 Ų | 44.9 | 6% | 0.061 | 24% | 0.235 | C | C | . | . | trans | -90.8 | 115.1 | 179.2 | -175.7 | 0 | 0 | 0 | 0 | 111.2 | M965 F979 L1049 L1050 S1054 A1055 | M965-C1052 VanDerWaalsContact CB-SG 3.58Å; M965-C1052 HydrophobicContact CE-CB 4.25Å; M965-C1052 VanDerWaalsContact CE-SG 3.55Å; M965-C1052 PolarHBondContact O-SG 3.27Å; F979-C1052 HydrophobicContact CZ-CB 4.42Å; L1049-C1052 PolarHBondContact O-N 2.95Å; L1050-C1052 PolarHBondContact O-N 3.15Å; C1052-S1054 PolarHBondContact O-N 3.11Å; C1052-S1054 PolarHBondContact SG-OG 2.95Å; C1052-A1055 HydrophobicContact CB-CB 3.89Å; C1052-A1055 WeakPolarHBondContact O-CB 3.35Å; C1052-A1055 PolarHBondContact O-N 2.91Å | ||
| 1053 | G | 79.1 | Confident | 86.1 | Confident | 44 Ų | 44 | 44.9 Ų | 44.9 | 45% | 0.454 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.1 | -36.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | W1056 F1057 | G1053-W1056 PolarHBondContact O-N 3.46Å; G1053-F1057 PolarHBondContact O-N 3.03Å |
| 1054 | S | 79.3 | Confident | 86.5 | Confident | 27 Ų | 27 | 44 Ų | 44 | 19% | 0.189 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -75.1 | -23.9 | 177.9 | 51.7 | 0 | 0 | 0 | 0 | 113.4 | L964 M965 C1052 W1056 F1057 A1058 | L964-S1054 VanDerWaalsContact O-CB 3.22Å; L964-S1054 WeakPolarHBondContact O-CB 3.34Å; L964-S1054 PolarHBondContact O-OG 2.91Å; M965-S1054 VanDerWaalsContact CA-OG 3.27Å; M965-S1054 WeakPolarHBondContact CA-OG 3.41Å; M965-S1054 WeakPolarHBondContact CG-OG 3.49Å; C1052-S1054 PolarHBondContact O-N 3.11Å; C1052-S1054 PolarHBondContact SG-OG 2.95Å; S1054-W1056 VanDerWaalsContact C-N 3.32Å; S1054-W1056 PolarHBondContact O-N 2.8Å; S1054-F1057 PolarHBondContact O-N 2.91Å; S1054-A1058 WeakPolarHBondContact O-CB 3.46Å; S1054-A1058 PolarHBondContact O-N 3.42Å |
| 1055 | A | 80.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.1 | -43 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | M965 L1049 C1052 A1058 I1059 | M965-A1055 HydrophobicContact CE-CB 3.73Å; L1049-A1055 HydrophobicContact CD1-CB 3.98Å; L1049-A1055 WeakPolarHBondContact O-CB 3.29Å; C1052-A1055 HydrophobicContact CB-CB 3.89Å; C1052-A1055 WeakPolarHBondContact O-CB 3.35Å; C1052-A1055 PolarHBondContact O-N 2.91Å; A1055-A1058 PolarHBondContact O-N 2.91Å; A1055-I1059 WeakPolarHBondContact O-CD1 3.27Å; A1055-I1059 VanDerWaalsContact O-CG1 3.22Å; A1055-I1059 WeakPolarHBondContact O-CG1 3.44Å; A1055-I1059 PolarHBondContact O-N 3.37Å |
| 1056 | W | 86.8 | Confident | 87.2 | Confident | 109 Ų | 109 | 42.2 Ų | 42.2 | 41% | 0.413 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.4 | -44.4 | 175.5 | -74 | 101.7 | 0 | 0 | 0 | 112.9 | F1023 L1050 G1053 S1054 A1058 I1059 V1060 | F1023-W1056 AromaticContact CE1-CH2 3.66Å; F1023-W1056 HydrophobicContact CE1-CH2 3.66Å; F1023-W1056 HydrophobicContact CE1-CZ2 4.5Å; F1023-W1056 HydrophobicContact CE1-CZ3 4.21Å; F1023-W1056 HydrophobicContact CZ-CH2 4.14Å; F1023-W1056 HydrophobicContact CZ-CZ3 4.25Å; L1050-W1056 HydrophobicContact CB-CZ2 4.33Å; L1050-W1056 HydrophobicContact CD2-CH2 3.97Å; L1050-W1056 HydrophobicContact CD2-CZ2 3.54Å; L1050-W1056 HydrophobicContact CG-CZ2 4.37Å; L1050-W1056 PolarHBondContact O-NE1 3.37Å; G1053-W1056 PolarHBondContact O-N 3.46Å; S1054-W1056 VanDerWaalsContact C-N 3.32Å; S1054-W1056 PolarHBondContact O-N 2.8Å; W1056-A1058 VanDerWaalsContact C-N 3.33Å; W1056-A1058 PolarHBondContact O-N 3.37Å; W1056-I1059 PolarHBondContact O-N 2.9Å; W1056-V1060 WeakPolarHBondContact O-CG2 3.27Å; W1056-V1060 PolarHBondContact O-N 3.07Å |
| 1057 | F | 87.3 | Confident | 87.5 | Confident | 142 Ų | 142 | 42.9 Ų | 42.9 | 62% | 0.623 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -62.2 | -42.4 | 177.5 | -173.6 | -111.7 | 0 | 0 | 0 | 111.6 | G1053 S1054 V1060 I1061 | G1053-F1057 PolarHBondContact O-N 3.03Å; S1054-F1057 PolarHBondContact O-N 2.91Å; F1057-V1060 PolarHBondContact O-N 3.4Å; F1057-I1061 HydrophobicContact CD1-CD1 3.65Å; F1057-I1061 HydrophobicContact CD1-CG1 4.49Å; F1057-I1061 HydrophobicContact CE1-CD1 3.14Å; F1057-I1061 HydrophobicContact CE1-CG1 4.23Å; F1057-I1061 HydrophobicContact CE2-CD1 4.14Å; F1057-I1061 HydrophobicContact CG-CD1 4.36Å; F1057-I1061 HydrophobicContact CZ-CD1 3.44Å; F1057-I1061 VanDerWaalsContact CZ-CD1 3.44Å; F1057-I1061 HydrophobicContact CZ-CG1 4.25Å; F1057-I1061 WeakPolarHBondContact O-CG1 3.18Å; F1057-I1061 PolarHBondContact O-N 3.08Å |
| 1058 | A | 84.9 | Confident | 87.9 | Confident | 8 Ų | 8 | 46.9 Ų | 46.9 | 7% | 0.066 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L957 S1054 A1055 W1056 V1060 I1061 I1062 | L957-A1058 HydrophobicContact CD1-CB 3.65Å; L957-A1058 HydrophobicContact CD2-CB 3.29Å; L957-A1058 HydrophobicContact CG-CB 4.03Å; S1054-A1058 WeakPolarHBondContact O-CB 3.46Å; S1054-A1058 PolarHBondContact O-N 3.42Å; A1055-A1058 PolarHBondContact O-N 2.91Å; W1056-A1058 VanDerWaalsContact C-N 3.33Å; W1056-A1058 PolarHBondContact O-N 3.37Å; A1058-V1060 VanDerWaalsContact C-N 3.29Å; A1058-V1060 PolarHBondContact O-N 3.29Å; A1058-I1061 PolarHBondContact O-N 3.23Å; A1058-I1062 WeakPolarHBondContact O-CB 3.49Å; A1058-I1062 WeakPolarHBondContact O-CD1 3.34Å; A1058-I1062 WeakPolarHBondContact O-CG1 3.44Å; A1058-I1062 PolarHBondContact O-N 3.2Å |
| 1059 | I | 91.1 | Very high | 88.3 | Confident | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.036 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -54.9 | -48.2 | 175.6 | -70 | 162.2 | 0 | 0 | 0 | 110.1 | L987 T990 V991 I994 A1055 W1056 I1062 V1063 | L987-I1059 HydrophobicContact CD1-CD1 4.1Å; L987-I1059 HydrophobicContact CD1-CG1 3.66Å; T990-I1059 HydrophobicContact CG2-CD1 3.97Å; V991-I1059 HydrophobicContact CG2-CB 4.27Å; V991-I1059 HydrophobicContact CG2-CG1 3.88Å; V991-I1059 HydrophobicContact CG2-CG2 4.29Å; I994-I1059 HydrophobicContact CD1-CG2 3.94Å; A1055-I1059 WeakPolarHBondContact O-CD1 3.27Å; A1055-I1059 VanDerWaalsContact O-CG1 3.22Å; A1055-I1059 WeakPolarHBondContact O-CG1 3.44Å; A1055-I1059 PolarHBondContact O-N 3.37Å; W1056-I1059 PolarHBondContact O-N 2.9Å; I1059-I1062 PolarHBondContact O-N 3.14Å; I1059-V1063 HydrophobicContact CG2-CG2 4.39Å; I1059-V1063 WeakPolarHBondContact O-CB 3.39Å; I1059-V1063 WeakPolarHBondContact O-CG2 3.3Å; I1059-V1063 PolarHBondContact O-N 2.91Å |
| 1060 | V | 93.1 | Very high | 88.6 | Confident | 75 Ų | 75 | 49 Ų | 49 | 46% | 0.455 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 179.7 | 172.9 | 0 | 0 | 0 | 0 | 111.8 | W1056 F1057 A1058 V1063 I1064 | W1056-V1060 WeakPolarHBondContact O-CG2 3.27Å; W1056-V1060 PolarHBondContact O-N 3.07Å; F1057-V1060 PolarHBondContact O-N 3.4Å; A1058-V1060 VanDerWaalsContact C-N 3.29Å; A1058-V1060 PolarHBondContact O-N 3.29Å; V1060-V1063 PolarHBondContact O-N 3.05Å; V1060-I1064 HydrophobicContact CG1-CD1 3.7Å; V1060-I1064 HydrophobicContact CG1-CG1 4.44Å; V1060-I1064 VanDerWaalsContact O-CG1 3.28Å; V1060-I1064 WeakPolarHBondContact O-CG1 3.43Å; V1060-I1064 PolarHBondContact O-N 3.32Å |
| 1061 | I | 92.6 | Very high | 88.9 | Confident | 73 Ų | 73 | 50.1 Ų | 50.1 | 37% | 0.374 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 178.9 | -75.6 | 179.9 | 0 | 0 | 0 | 111.5 | F1057 A1058 V1063 I1064 T1065 | F1057-I1061 HydrophobicContact CD1-CD1 3.65Å; F1057-I1061 HydrophobicContact CD1-CG1 4.49Å; F1057-I1061 HydrophobicContact CE1-CD1 3.14Å; F1057-I1061 HydrophobicContact CE1-CG1 4.23Å; F1057-I1061 HydrophobicContact CE2-CD1 4.14Å; F1057-I1061 HydrophobicContact CG-CD1 4.36Å; F1057-I1061 HydrophobicContact CZ-CD1 3.44Å; F1057-I1061 VanDerWaalsContact CZ-CD1 3.44Å; F1057-I1061 HydrophobicContact CZ-CG1 4.25Å; F1057-I1061 WeakPolarHBondContact O-CG1 3.18Å; F1057-I1061 PolarHBondContact O-N 3.08Å; A1058-I1061 PolarHBondContact O-N 3.23Å; I1061-V1063 PolarHBondContact O-N 3.27Å; I1061-I1064 PolarHBondContact O-N 2.89Å; I1061-T1065 WeakPolarHBondContact O-CB 3.33Å; I1061-T1065 PolarHBondContact O-N 3.32Å; I1061-T1065 PolarHBondContact O-OG1 2.74Å |
| 1062 | I | 93.9 | Very high | 89.3 | Confident | 9 Ų | 9 | 49.9 Ų | 49.9 | 5% | 0.046 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.1 | -43.7 | -177 | -61.1 | 164.3 | 0 | 0 | 0 | 109.4 | V949 F950 V991 A1058 I1059 I1064 T1065 C1066 | V949-I1062 HydrophobicContact CG1-CG2 4Å; F950-I1062 HydrophobicContact CD1-CG2 4.32Å; V991-I1062 HydrophobicContact CG1-CB 3.97Å; V991-I1062 HydrophobicContact CG1-CG2 3.48Å; V991-I1062 VanDerWaalsContact CG1-CG2 3.48Å; V991-I1062 HydrophobicContact CG2-CD1 4.33Å; A1058-I1062 WeakPolarHBondContact O-CB 3.49Å; A1058-I1062 WeakPolarHBondContact O-CD1 3.34Å; A1058-I1062 WeakPolarHBondContact O-CG1 3.44Å; A1058-I1062 PolarHBondContact O-N 3.2Å; I1059-I1062 PolarHBondContact O-N 3.14Å; I1062-I1064 PolarHBondContact O-N 3.02Å; I1062-T1065 PolarHBondContact O-N 3.12Å; I1062-C1066 PolarHBondContact O-N 3.26Å; I1062-C1066 PolarHBondContact O-SG 3.13Å |
| 1063 | V | 95.3 | Very high | 89.8 | Confident | 13 Ų | 13 | 52.7 Ų | 52.7 | 8% | 0.079 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.1 | -46.7 | 175.4 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | V991 I994 L998 I1059 V1060 I1061 C1066 L1067 | V991-V1063 HydrophobicContact CG1-CG2 4.34Å; I994-V1063 HydrophobicContact CB-CG2 4.37Å; I994-V1063 HydrophobicContact CG2-CG1 4.36Å; I994-V1063 HydrophobicContact CG2-CG2 3.93Å; L998-V1063 HydrophobicContact CD1-CG1 3.79Å; I1059-V1063 HydrophobicContact CG2-CG2 4.39Å; I1059-V1063 WeakPolarHBondContact O-CB 3.39Å; I1059-V1063 WeakPolarHBondContact O-CG2 3.3Å; I1059-V1063 PolarHBondContact O-N 2.91Å; V1060-V1063 PolarHBondContact O-N 3.05Å; I1061-V1063 PolarHBondContact O-N 3.27Å; V1063-C1066 PolarHBondContact O-N 2.71Å; V1063-L1067 HydrophobicContact CG1-CD1 3.92Å; V1063-L1067 WeakPolarHBondContact O-CG 3.16Å; V1063-L1067 PolarHBondContact O-N 2.9Å |
| 1064 | I | 94.6 | Very high | 90.2 | Very high | 98 Ų | 98 | 53.9 Ų | 53.9 | 50% | 0.503 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 178 | -70.2 | 169.8 | 0 | 0 | 0 | 110.5 | V1060 I1061 I1062 C1066 L1067 F1068 | V1060-I1064 HydrophobicContact CG1-CD1 3.7Å; V1060-I1064 HydrophobicContact CG1-CG1 4.44Å; V1060-I1064 VanDerWaalsContact O-CG1 3.28Å; V1060-I1064 WeakPolarHBondContact O-CG1 3.43Å; V1060-I1064 PolarHBondContact O-N 3.32Å; I1061-I1064 PolarHBondContact O-N 2.89Å; I1062-I1064 PolarHBondContact O-N 3.02Å; I1064-C1066 VanDerWaalsContact C-N 3.27Å; I1064-C1066 PolarHBondContact O-N 2.89Å; I1064-L1067 PolarHBondContact O-N 2.91Å; I1064-F1068 WeakPolarHBondContact O-CB 3.44Å; I1064-F1068 PolarHBondContact O-N 2.96Å |
| 1065 | T | 93.9 | Very high | 90.6 | Very high | 74 Ų | 74 | 55.7 Ų | 55.7 | 45% | 0.454 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.3 | -37.9 | -179.8 | -56 | 0 | 0 | 0 | 0 | 111.5 | V949 I1061 I1062 P1069 | V949-T1065 HydrophobicContact CG1-CG2 4.16Å; I1061-T1065 WeakPolarHBondContact O-CB 3.33Å; I1061-T1065 PolarHBondContact O-N 3.32Å; I1061-T1065 PolarHBondContact O-OG1 2.74Å; I1062-T1065 PolarHBondContact O-N 3.12Å; T1065-P1069 VanDerWaalsContact O-CD 3.23Å; T1065-P1069 WeakPolarHBondContact O-CD 3.35Å |
| 1066 | C | 93.9 | Very high | 91 | Very high | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.02 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.6 | -47.2 | 174.6 | -66.7 | 0 | 0 | 0 | 0 | 112.9 | H946 V949 F950 T995 I1062 V1063 I1064 | H946-C1066 PolarHBondContact NE2-O 3.33Å; H946-C1066 VanDerWaalsContact NE2-O 3.13Å; V949-C1066 WeakPolarHBondContact CG1-SG 3.47Å; F950-C1066 HydrophobicContact CE1-CB 4.28Å; F950-C1066 WeakPolarHBondContact CE1-SG 3.12Å; T995-C1066 HydrophobicContact CG2-CB 3.8Å; I1062-C1066 PolarHBondContact O-N 3.26Å; I1062-C1066 PolarHBondContact O-SG 3.13Å; V1063-C1066 PolarHBondContact O-N 2.71Å; I1064-C1066 VanDerWaalsContact C-N 3.27Å; I1064-C1066 PolarHBondContact O-N 2.89Å |
| 1067 | L | 94.1 | Very high | 91 | Very high | 17 Ų | 17 | 61.7 Ų | 61.7 | 9% | 0.089 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -83.8 | -24.7 | -170.4 | -62.5 | -180 | 0 | 0 | 0 | 113.7 | T995 L998 K999 L1002 V1063 I1064 E1070 V1071 | T995-L1067 HydrophobicContact CG2-CD2 3.84Å; T995-L1067 HydrophobicContact CG2-CG 4.17Å; L998-L1067 HydrophobicContact CB-CD1 3.66Å; L998-L1067 HydrophobicContact CD1-CD1 4.08Å; K999-L1067 HydrophobicContact CB-CD2 4.09Å; K999-L1067 HydrophobicContact CD-CD2 4.42Å; L1002-L1067 HydrophobicContact CD1-CB 4.27Å; L1002-L1067 HydrophobicContact CD1-CD1 4.32Å; L1002-L1067 HydrophobicContact CD1-CD2 4.1Å; L1002-L1067 HydrophobicContact CD1-CG 4.46Å; V1063-L1067 HydrophobicContact CG1-CD1 3.92Å; V1063-L1067 WeakPolarHBondContact O-CG 3.16Å; V1063-L1067 PolarHBondContact O-N 2.9Å; I1064-L1067 PolarHBondContact O-N 2.91Å; L1067-E1070 PolarHBondContact O-N 3.41Å; L1067-V1071 WeakPolarHBondContact O-CG2 3.28Å; L1067-V1071 PolarHBondContact O-N 2.68Å |
| 1068 | F | 93.3 | Very high | 90.8 | Very high | 121 Ų | 121 | 59.1 Ų | 59.1 | 53% | 0.531 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.5 | -46.9 | -175.3 | 178.6 | -97 | 0 | 0 | 0 | 114 | I1064 E1070 V1071 M1072 | I1064-F1068 WeakPolarHBondContact O-CB 3.44Å; I1064-F1068 PolarHBondContact O-N 2.96Å; F1068-E1070 VanDerWaalsContact C-N 3.26Å; F1068-E1070 PolarHBondContact O-N 3.25Å; F1068-V1071 PolarHBondContact O-N 3.14Å; F1068-M1072 HydrophobicContact CD1-CG 4.14Å; F1068-M1072 HydrophobicContact CD2-CG 4.37Å; F1068-M1072 HydrophobicContact CE1-CG 3.67Å; F1068-M1072 HydrophobicContact CE1-SD 4.26Å; F1068-M1072 HydrophobicContact CE2-CG 3.93Å; F1068-M1072 HydrophobicContact CE2-SD 4.29Å; F1068-M1072 HydrophobicContact CG-CG 4.47Å; F1068-M1072 HydrophobicContact CZ-CG 3.55Å; F1068-M1072 HydrophobicContact CZ-SD 3.74Å; F1068-M1072 WeakPolarHBondContact O-CB 3.35Å; F1068-M1072 WeakPolarHBondContact O-CG 3.38Å; F1068-M1072 PolarHBondContact O-N 3.21Å |
| 1069 | P | 90.9 | Very high | 90.8 | Very high | 75 Ų | 75 | 65.7 Ų | 65.7 | 49% | 0.487 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.1 | -37.8 | 176.8 | -25 | 34.9 | 0 | 0 | 0 | 113.1 | T1065 K1073 | T1065-P1069 VanDerWaalsContact O-CD 3.23Å; T1065-P1069 WeakPolarHBondContact O-CD 3.35Å; P1069-K1073 VanDerWaalsContact O-CB 3.3Å; P1069-K1073 WeakPolarHBondContact O-CB 3.49Å; P1069-K1073 PolarHBondContact O-N 3.32Å |
| 1070 | E | 89.6 | Confident | 90.6 | Very high | 11 Ų | 11 | 71.8 Ų | 71.8 | 5% | 0.051 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70.8 | -42.1 | 179.3 | -74.5 | -73.9 | 106.9 | 0 | 0 | 112 | Y938 L942 K999 L1067 F1068 K1073 K1074 | Y938-E1070 PolarHBondContact OH-OE1 3.47Å; Y938-E1070 PolarHBondContact OH-OE2 2.92Å; L942-E1070 HydrophobicContact CD1-CG 3.82Å; L942-E1070 WeakPolarHBondContact CD1-OE1 3.36Å; L942-E1070 HydrophobicContact CD2-CG 4.22Å; L942-E1070 WeakPolarHBondContact CD2-OE2 3.39Å; K999-E1070 WeakPolarHBondContact CE-OE2 3.33Å; K999-E1070 IonicContact NZ-OE2 3.67Å; L1067-E1070 PolarHBondContact O-N 3.41Å; F1068-E1070 VanDerWaalsContact C-N 3.26Å; F1068-E1070 PolarHBondContact O-N 3.25Å; E1070-K1073 PolarHBondContact O-N 3.11Å; E1070-K1074 WeakPolarHBondContact O-CB 3.46Å; E1070-K1074 PolarHBondContact O-N 3.29Å |
| 1071 | V | 91.8 | Very high | 90.1 | Very high | 57 Ų | 57 | 72.5 Ų | 72.5 | 35% | 0.345 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.5 | -47.5 | 174.3 | 173.2 | 0 | 0 | 0 | 0 | 110.1 | L1002 L1067 F1068 K1073 K1074 V1075 | L1002-V1071 HydrophobicContact CD1-CG2 3.9Å; L1002-V1071 HydrophobicContact CD2-CG2 4.13Å; L1067-V1071 WeakPolarHBondContact O-CG2 3.28Å; L1067-V1071 PolarHBondContact O-N 2.68Å; F1068-V1071 PolarHBondContact O-N 3.14Å; V1071-K1073 PolarHBondContact O-N 3.27Å; V1071-K1074 PolarHBondContact O-N 2.66Å; V1071-V1075 HydrophobicContact CG1-CG2 4.46Å; V1071-V1075 WeakPolarHBondContact O-CG2 3.37Å; V1071-V1075 PolarHBondContact O-N 3.11Å |
| 1072 | M | 91 | Very high | 89.6 | Confident | 76 Ų | 76 | 70.7 Ų | 70.7 | 37% | 0.374 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59 | -47 | 176.8 | -76.5 | -89.1 | 77.2 | 0 | 0 | 111.7 | F1068 K1074 V1075 L1076 | F1068-M1072 HydrophobicContact CD1-CG 4.14Å; F1068-M1072 HydrophobicContact CD2-CG 4.37Å; F1068-M1072 HydrophobicContact CE1-CG 3.67Å; F1068-M1072 HydrophobicContact CE1-SD 4.26Å; F1068-M1072 HydrophobicContact CE2-CG 3.93Å; F1068-M1072 HydrophobicContact CE2-SD 4.29Å; F1068-M1072 HydrophobicContact CG-CG 4.47Å; F1068-M1072 HydrophobicContact CZ-CG 3.55Å; F1068-M1072 HydrophobicContact CZ-SD 3.74Å; F1068-M1072 WeakPolarHBondContact O-CB 3.35Å; F1068-M1072 WeakPolarHBondContact O-CG 3.38Å; F1068-M1072 PolarHBondContact O-N 3.21Å; M1072-K1074 PolarHBondContact O-N 2.68Å; M1072-V1075 PolarHBondContact O-N 2.92Å; M1072-L1076 WeakPolarHBondContact O-CB 3.23Å; M1072-L1076 VanDerWaalsContact O-CG 3.28Å; M1072-L1076 WeakPolarHBondContact O-CG 3.46Å; M1072-L1076 PolarHBondContact O-N 2.9Å |
| 1073 | K | 88.8 | Confident | 88.9 | Confident | 67 Ų | 67 | 73.7 Ų | 73.7 | 29% | 0.291 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -57.2 | -49.5 | 175.8 | -178.7 | -173.6 | 171.9 | -174.3 | 0 | 111.3 | Y938 P1069 E1070 V1071 V1075 L1076 Y1077 | Y938-K1073 PolarHBondContact OH-NZ 3.39Å; P1069-K1073 VanDerWaalsContact O-CB 3.3Å; P1069-K1073 WeakPolarHBondContact O-CB 3.49Å; P1069-K1073 PolarHBondContact O-N 3.32Å; E1070-K1073 PolarHBondContact O-N 3.11Å; V1071-K1073 PolarHBondContact O-N 3.27Å; K1073-V1075 VanDerWaalsContact C-N 3.35Å; K1073-V1075 PolarHBondContact O-N 3.29Å; K1073-L1076 PolarHBondContact O-N 2.9Å; K1073-Y1077 HydrophobicContact CD-CE2 4.48Å; K1073-Y1077 HydrophobicContact CG-CD2 3.62Å; K1073-Y1077 HydrophobicContact CG-CE2 3.83Å; K1073-Y1077 WeakPolarHBondContact O-CB 3.27Å; K1073-Y1077 WeakPolarHBondContact O-CD2 3.22Å; K1073-Y1077 PolarHBondContact O-N 2.87Å |
| 1074 | K | 86.8 | Confident | 88.2 | Confident | 70 Ų | 70 | 75.9 Ų | 75.9 | 30% | 0.304 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.6 | -44.3 | -179.8 | -82.4 | -175.5 | 166.8 | -176.3 | 0 | 112.2 | L1002 E1003 E1070 V1071 M1072 R1078 | L1002-K1074 PolarHBondContact O-NZ 3.41Å; E1003-K1074 WeakPolarHBondContact OE1-CE 3.49Å; E1003-K1074 IonicContact OE1-NZ 3.52Å; E1003-K1074 PolarHBondContact OE1-NZ 2.81Å; E1003-K1074 IonicContact OE2-NZ 3.04Å; E1003-K1074 PolarHBondContact OE2-NZ 3.34Å; E1070-K1074 WeakPolarHBondContact O-CB 3.46Å; E1070-K1074 PolarHBondContact O-N 3.29Å; V1071-K1074 PolarHBondContact O-N 2.66Å; M1072-K1074 PolarHBondContact O-N 2.68Å; K1074-R1078 WeakPolarHBondContact O-CB 3.25Å; K1074-R1078 PolarHBondContact O-N 3.16Å; K1074-R1078 VanDerWaalsContact O-N 3.08Å |
| 1075 | V | 88.6 | Confident | 87.6 | Confident | 65 Ų | 65 | 71.8 Ų | 71.8 | 39% | 0.394 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.7 | -50.2 | 178 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | V1071 M1072 K1073 R1078 H1079 | V1071-V1075 HydrophobicContact CG1-CG2 4.46Å; V1071-V1075 WeakPolarHBondContact O-CG2 3.37Å; V1071-V1075 PolarHBondContact O-N 3.11Å; M1072-V1075 PolarHBondContact O-N 2.92Å; K1073-V1075 VanDerWaalsContact C-N 3.35Å; K1073-V1075 PolarHBondContact O-N 3.29Å; V1075-R1078 PolarHBondContact O-N 3.39Å; V1075-H1079 PolarHBondContact O-CD2 2.75Å; V1075-H1079 PolarHBondContact O-N 2.89Å; V1075-H1079 VanDerWaalsContact O-N 3.11Å |
| 1076 | L | 88.9 | Confident | 87 | Confident | 93 Ų | 93 | 70.7 Ų | 70.7 | 49% | 0.487 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.9 | -47.1 | -179 | -73.3 | 169.4 | 0 | 0 | 0 | 112.4 | M1072 K1073 R1078 H1079 L1080 | M1072-L1076 WeakPolarHBondContact O-CB 3.23Å; M1072-L1076 VanDerWaalsContact O-CG 3.28Å; M1072-L1076 WeakPolarHBondContact O-CG 3.46Å; M1072-L1076 PolarHBondContact O-N 2.9Å; K1073-L1076 PolarHBondContact O-N 2.9Å; L1076-R1078 VanDerWaalsContact C-N 3.33Å; L1076-R1078 PolarHBondContact O-N 2.92Å; L1076-H1079 PolarHBondContact O-N 3.29Å; L1076-L1080 HydrophobicContact CD2-CD1 4.48Å; L1076-L1080 WeakPolarHBondContact O-CB 3.35Å; L1076-L1080 WeakPolarHBondContact O-CG 3.3Å; L1076-L1080 PolarHBondContact O-N 2.74Å |
| 1077 | Y | 85.8 | Confident | 86.4 | Confident | 142 Ų | 142 | 75.8 Ų | 75.8 | 56% | 0.557 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63.8 | -39.8 | 178.3 | -92.4 | -93.2 | 0 | 0 | 0 | 112 | K1073 H1079 C1081 | K1073-Y1077 HydrophobicContact CD-CE2 4.48Å; K1073-Y1077 HydrophobicContact CG-CD2 3.62Å; K1073-Y1077 HydrophobicContact CG-CE2 3.83Å; K1073-Y1077 WeakPolarHBondContact O-CB 3.27Å; K1073-Y1077 WeakPolarHBondContact O-CD2 3.22Å; K1073-Y1077 PolarHBondContact O-N 2.87Å; Y1077-H1079 VanDerWaalsContact C-N 3.28Å; Y1077-H1079 PolarHBondContact O-N 3.34Å; Y1077-C1081 CarbonylContact O-C 3.1Å; Y1077-C1081 WeakPolarHBondContact O-CA 3.45Å; Y1077-C1081 PolarHBondContact O-N 3.4Å |
| 1078 | R | 83.4 | Confident | 85.8 | Confident | 88 Ų | 88 | 75.3 Ų | 75.3 | 33% | 0.332 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.1 | -31.6 | 178.7 | -172.1 | 171 | -175.2 | 162.6 | 2.9 | 112.4 | K1074 V1075 L1076 P1082 M1090 | K1074-R1078 WeakPolarHBondContact O-CB 3.25Å; K1074-R1078 PolarHBondContact O-N 3.16Å; K1074-R1078 VanDerWaalsContact O-N 3.08Å; V1075-R1078 PolarHBondContact O-N 3.39Å; L1076-R1078 VanDerWaalsContact C-N 3.33Å; L1076-R1078 PolarHBondContact O-N 2.92Å; R1078-P1082 WeakPolarHBondContact O-CB 3.39Å; R1078-M1090 HydrophobicContact CG-CE 3.58Å |
| 1079 | H | 85.6 | Confident | 85.1 | Confident | 145 Ų | 145 | 70.9 Ų | 70.9 | 67% | 0.671 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -84.8 | -42.1 | 176.5 | -77.1 | -67.2 | 0 | 0 | 0 | 113.7 | V1075 L1076 Y1077 | V1075-H1079 PolarHBondContact O-CD2 2.75Å; V1075-H1079 PolarHBondContact O-N 2.89Å; V1075-H1079 VanDerWaalsContact O-N 3.11Å; L1076-H1079 PolarHBondContact O-N 3.29Å; Y1077-H1079 VanDerWaalsContact C-N 3.28Å; Y1077-H1079 PolarHBondContact O-N 3.34Å |
| 1080 | L | 86.7 | Confident | 84.2 | Confident | 135 Ų | 135 | 70.7 Ų | 70.7 | 71% | 0.707 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -86.3 | -39.4 | -172.5 | -64.1 | 173 | 0 | 0 | 0 | 113.1 | L1076 | L1076-L1080 HydrophobicContact CD2-CD1 4.48Å; L1076-L1080 WeakPolarHBondContact O-CB 3.35Å; L1076-L1080 WeakPolarHBondContact O-CG 3.3Å; L1076-L1080 PolarHBondContact O-N 2.74Å |
| 1081 | C | 82.5 | Confident | 83.2 | Confident | 91 Ų | 91 | 75.4 Ų | 75.4 | 62% | 0.615 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -140 | 62.3 | -174.2 | -67.4 | 0 | 0 | 0 | 0 | 111.5 | Y1077 T1083 | Y1077-C1081 CarbonylContact O-C 3.1Å; Y1077-C1081 WeakPolarHBondContact O-CA 3.45Å; Y1077-C1081 PolarHBondContact O-N 3.4Å; C1081-T1083 PolarHBondContact O-N 2.86Å |
| 1082 | P | 81.9 | Confident | 81.8 | Confident | 35 Ų | 35 | 75.9 Ų | 75.9 | 23% | 0.227 | 38% | 0.379 | C | S | . | . | trans | -65.1 | 133.5 | -178.1 | 24.3 | -31.9 | 0 | 0 | 0 | 111.7 | R1078 Q1086 K1087 | R1078-P1082 WeakPolarHBondContact O-CB 3.39Å; P1082-Q1086 HydrophobicContact CB-CB 4.24Å; P1082-K1087 HydrophobicContact CB-CG 4.03Å; P1082-K1087 HydrophobicContact CG-CG 4.13Å; P1082-K1087 WeakPolarHBondContact O-CE 3.31Å | ||
| 1083 | T | 80.4 | Confident | 80.2 | Confident | 71 Ų | 71 | 75.2 Ų | 75.2 | 44% | 0.436 | 39% | 0.391 | S | S | . | . | trans | -67.5 | 159 | 173.2 | 63.7 | 0 | 0 | 0 | 0 | 111 | C1081 T1085 Q1086 K1087 | C1081-T1083 PolarHBondContact O-N 2.86Å; T1083-T1085 PolarHBondContact O-N 2.86Å; T1083-Q1086 WeakPolarHBondContact O-CB 3.25Å; T1083-Q1086 PolarHBondContact O-N 3.11Å; T1083-Q1086 VanDerWaalsContact OG1-CG 3.29Å; T1083-Q1086 WeakPolarHBondContact OG1-CG 3.41Å; T1083-Q1086 PolarHBondContact OG1-N 3.31Å; T1083-K1087 WeakPolarHBondContact O-CG 3.39Å; T1083-K1087 PolarHBondContact O-N 3.43Å | ||
| 1084 | S | 80.4 | Confident | 78.4 | Confident | 59 Ų | 59 | 80.1 Ų | 80.1 | 41% | 0.413 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -55.9 | -35.9 | 177.6 | -36.7 | 0 | 0 | 0 | 0 | 112 | D924 S1088 | D924-S1084 VanDerWaalsContact OD2-CB 3.3Å; D924-S1084 WeakPolarHBondContact OD2-CB 3.33Å; D924-S1084 PolarHBondContact OD2-OG 3.33Å; S1084-S1088 PolarHBondContact O-N 3.32Å; S1084-S1088 VanDerWaalsContact O-N 3.08Å; S1084-S1088 PolarHBondContact O-OG 3.3Å |
| 1085 | T | 80.7 | Confident | 76.3 | Confident | 13 Ų | 13 | 79.3 Ų | 79.3 | 8% | 0.08 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -61.5 | -48.4 | 172.7 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | L909 V910 D924 T1083 S1088 Q1089 | L909-T1085 HydrophobicContact CD2-CG2 3.67Å; L909-T1085 HydrophobicContact CG-CG2 3.99Å; V910-T1085 HydrophobicContact CG2-CG2 3.49Å; V910-T1085 VanDerWaalsContact CG2-CG2 3.49Å; D924-T1085 PolarHBondContact OD2-OG1 3.47Å; T1083-T1085 PolarHBondContact O-N 2.86Å; T1085-S1088 PolarHBondContact O-N 3.39Å; T1085-Q1089 WeakPolarHBondContact O-CG 3.46Å; T1085-Q1089 PolarHBondContact O-N 3.23Å; T1085-Q1089 VanDerWaalsContact O-N 3.08Å |
| 1086 | Q | 81.7 | Confident | 73.6 | Confident | 50 Ų | 50 | 81.1 Ų | 81.1 | 23% | 0.234 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -66.4 | -37.9 | 178.6 | -73.2 | 169.2 | -17.9 | 0 | 0 | 112.9 | P1082 T1083 S1088 Q1089 M1090 | P1082-Q1086 HydrophobicContact CB-CB 4.24Å; T1083-Q1086 WeakPolarHBondContact O-CB 3.25Å; T1083-Q1086 PolarHBondContact O-N 3.11Å; T1083-Q1086 VanDerWaalsContact OG1-CG 3.29Å; T1083-Q1086 WeakPolarHBondContact OG1-CG 3.41Å; T1083-Q1086 PolarHBondContact OG1-N 3.31Å; Q1086-S1088 VanDerWaalsContact C-N 3.3Å; Q1086-S1088 PolarHBondContact O-N 3.49Å; Q1086-Q1089 WeakPolarHBondContact O-CB 3.49Å; Q1086-Q1089 PolarHBondContact O-N 2.86Å; Q1086-M1090 WeakPolarHBondContact O-CG 3.38Å; Q1086-M1090 PolarHBondContact O-N 2.85Å; Q1086-M1090 VanDerWaalsContact O-N 3.07Å |
| 1087 | K | 82.6 | Confident | 70.9 | Confident | 111 Ų | 111 | 82.8 Ų | 82.8 | 48% | 0.483 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.2 | -44.7 | 172.8 | -68 | -179.8 | -178.6 | -179.1 | 0 | 110.9 | P1082 T1083 Q1089 M1090 E1091 | P1082-K1087 HydrophobicContact CB-CG 4.03Å; P1082-K1087 HydrophobicContact CG-CG 4.13Å; P1082-K1087 WeakPolarHBondContact O-CE 3.31Å; T1083-K1087 WeakPolarHBondContact O-CG 3.39Å; T1083-K1087 PolarHBondContact O-N 3.43Å; K1087-Q1089 VanDerWaalsContact C-N 3.29Å; K1087-Q1089 PolarHBondContact O-N 2.9Å; K1087-M1090 PolarHBondContact O-N 2.92Å; K1087-M1090 VanDerWaalsContact O-N 3.14Å; K1087-E1091 PolarHBondContact O-N 3.14Å; K1087-E1091 VanDerWaalsContact O-N 3.16Å |
| 1088 | S | 79.4 | Confident | 68.1 | Low | 6 Ų | 6 | 81.6 Ų | 81.6 | 4% | 0.042 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -65 | -31.1 | 178.2 | -57.5 | 0 | 0 | 0 | 0 | 113.1 | S1084 T1085 Q1086 | S1084-S1088 PolarHBondContact O-N 3.32Å; S1084-S1088 VanDerWaalsContact O-N 3.08Å; S1084-S1088 PolarHBondContact O-OG 3.3Å; T1085-S1088 PolarHBondContact O-N 3.39Å; Q1086-S1088 VanDerWaalsContact C-N 3.3Å; Q1086-S1088 PolarHBondContact O-N 3.49Å |
| 1089 | Q | 78.8 | Confident | 65.6 | Low | 28 Ų | 28 | 83 Ų | 83 | 13% | 0.131 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -69.9 | -37.8 | 172.2 | -68.4 | 170.2 | -23.2 | 0 | 0 | 112.6 | L909 V910 T1085 Q1086 K1087 Q1092 G1093 | L909-Q1089 PolarHBondContact O-NE2 3.3Å; V910-Q1089 HydrophobicContact CG2-CG 4.44Å; T1085-Q1089 WeakPolarHBondContact O-CG 3.46Å; T1085-Q1089 PolarHBondContact O-N 3.23Å; T1085-Q1089 VanDerWaalsContact O-N 3.08Å; Q1086-Q1089 WeakPolarHBondContact O-CB 3.49Å; Q1086-Q1089 PolarHBondContact O-N 2.86Å; K1087-Q1089 VanDerWaalsContact C-N 3.29Å; K1087-Q1089 PolarHBondContact O-N 2.9Å; Q1089-Q1092 WeakPolarHBondContact O-CB 3.37Å; Q1089-Q1092 PolarHBondContact O-N 2.91Å; Q1089-G1093 PolarHBondContact O-N 3.27Å |
| 1090 | M | 73.4 | Confident | 62.9 | Low | 72 Ų | 72 | 84.9 Ų | 84.9 | 36% | 0.355 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65 | -41.5 | 178.7 | -70 | 175.2 | 179 | 0 | 0 | 111.4 | R1078 Q1086 K1087 Q1092 G1093 E1094 | R1078-M1090 HydrophobicContact CG-CE 3.58Å; Q1086-M1090 WeakPolarHBondContact O-CG 3.38Å; Q1086-M1090 PolarHBondContact O-N 2.85Å; Q1086-M1090 VanDerWaalsContact O-N 3.07Å; K1087-M1090 PolarHBondContact O-N 2.92Å; K1087-M1090 VanDerWaalsContact O-N 3.14Å; M1090-Q1092 PolarHBondContact O-N 3.28Å; M1090-G1093 PolarHBondContact O-N 3.47Å; M1090-E1094 PolarHBondContact O-N 3.43Å |
| 1091 | E | 68.5 | Low | 60.2 | Low | 109 Ų | 109 | 88.8 Ų | 88.8 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.9 | -27.7 | 176.1 | -68.1 | 173.6 | -144.9 | 0 | 0 | 113 | K918 K1087 G1095 | K918-E1091 IonicContact NZ-OE1 3.75Å; K918-E1091 PolarHBondContact NZ-OE1 3.38Å; K918-E1091 IonicContact NZ-OE2 2.66Å; K918-E1091 PolarHBondContact NZ-OE2 3.2Å; K1087-E1091 PolarHBondContact O-N 3.14Å; K1087-E1091 VanDerWaalsContact O-N 3.16Å; E1091-G1095 PolarHBondContact O-N 3.39Å |
| 1092 | Q | 62.9 | Low | 57.5 | Low | 68 Ų | 68 | 90 Ų | 90 | 32% | 0.318 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70.4 | -37.9 | 172.2 | -73.1 | -168.5 | -57.7 | 0 | 0 | 113.6 | I914 Q1089 M1090 E1094 G1095 S1096 | I914-Q1092 HydrophobicContact CD1-CG 3.07Å; I914-Q1092 HydrophobicContact CG1-CG 4.2Å; Q1089-Q1092 WeakPolarHBondContact O-CB 3.37Å; Q1089-Q1092 PolarHBondContact O-N 2.91Å; M1090-Q1092 PolarHBondContact O-N 3.28Å; Q1092-E1094 VanDerWaalsContact C-N 3.29Å; Q1092-E1094 PolarHBondContact O-N 2.97Å; Q1092-G1095 PolarHBondContact O-N 3.37Å; Q1092-S1096 PolarHBondContact O-OG 3.19Å |
| 1093 | G | 55.7 | Low | 55 | Low | 61 Ų | 61 | 93 Ų | 93 | 63% | 0.629 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.4 | -34.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q1089 M1090 | Q1089-G1093 PolarHBondContact O-N 3.27Å; M1090-G1093 PolarHBondContact O-N 3.47Å |
| 1094 | E | 51.8 | Low | 52.6 | Low | 171 Ų | 171 | 95.3 Ų | 95.3 | 80% | 0.799 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -80.8 | -23.8 | 178.2 | -68.2 | -177.7 | 164.3 | 0 | 0 | 113.1 | M1090 Q1092 | M1090-E1094 PolarHBondContact O-N 3.43Å; Q1092-E1094 VanDerWaalsContact C-N 3.29Å; Q1092-E1094 PolarHBondContact O-N 2.97Å |
| 1095 | G | 42.7 | Very low | 50 | Low | 52 Ų | 52 | 101.5 Ų | 101.5 | 54% | 0.536 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.1 | 2.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | E1091 Q1092 V1097 | E1091-G1095 PolarHBondContact O-N 3.39Å; Q1092-G1095 PolarHBondContact O-N 3.37Å; G1095-V1097 PolarHBondContact O-N 3.36Å; G1095-V1097 VanDerWaalsContact O-N 3.14Å |
| 1096 | S | 32 | Very low | 47.5 | Very low | 104 Ų | 104 | 105.7 Ų | 105.7 | 73% | 0.727 | 59% | 0.592 | S | S | * | * | trans | -85.2 | 38.3 | -178.3 | -72.2 | 0 | 0 | 0 | 0 | 114.5 | Q1092 | Q1092-S1096 PolarHBondContact O-OG 3.19Š| ||
| 1097 | V | 32.9 | Very low | 45 | Very low | 128 Ų | 128 | 112.3 Ų | 112.3 | 78% | 0.776 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -99.6 | 111 | 150.1 | -179 | 0 | 0 | 0 | 0 | 105.4 | G1095 | G1095-V1097 PolarHBondContact O-N 3.36Å; G1095-V1097 VanDerWaalsContact O-N 3.14Å |
| 1098 | C | 25.9 | Very low | 42.3 | Very low | 116 Ų | 116 | 118.5 Ų | 118.5 | 78% | 0.784 | 64% | 0.644 | S | S | * | * | trans | -43.9 | 122.3 | -177.9 | -67.3 | 0 | 0 | 0 | 0 | 111.2 | E1100 | C1098-E1100 PolarHBondContact O-N 3.14Š| ||
| 1099 | P | 30.9 | Very low | 39.7 | Very low | 119 Ų | 119 | 123.2 Ų | 123.2 | 77% | 0.773 | 68% | 0.677 | S | S | * | * | trans | -73.4 | 110.4 | 157.1 | 20.8 | -10.2 | 0 | 0 | 0 | 106 | Y1101 | P1099-Y1101 PolarHBondContact O-N 3.28Š| ||
| 1100 | E | 29.1 | Very low | 37.5 | Very low | 183 Ų | 183 | 128.7 Ų | 128.7 | 86% | 0.855 | 72% | 0.715 | S | S | * | * | trans | -47.7 | 123.9 | 164.1 | -153.8 | 165.2 | -162.5 | 0 | 0 | 108.1 | C1098 D1102 | C1098-E1100 PolarHBondContact O-N 3.14Å; E1100-D1102 PolarHBondContact O-N 3.22Å | ||
| 1101 | Y | 29.4 | Very low | 35.5 | Very low | 217 Ų | 217 | 128 Ų | 128 | 85% | 0.851 | 73% | 0.725 | S | S | * | * | trans | -68.7 | 94.9 | -177.3 | -167 | -91 | 0 | 0 | 0 | 108.4 | P1099 P1103 | P1099-Y1101 PolarHBondContact O-N 3.28Å; Y1101-P1103 WeakPolarHBondContact O-CD 3.42Å | ||
| 1102 | D | 27.3 | Very low | 33.8 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 63% | 0.626 | 74% | 0.743 | S | S | * | * | trans | -91.2 | 105.7 | 179.8 | -156.4 | 1.2 | 0 | 0 | 0 | 109.2 | E1100 V1104 | E1100-D1102 PolarHBondContact O-N 3.22Å; D1102-V1104 PolarHBondContact O-N 3.38Å | ||
| 1103 | P | 28.4 | Very low | 32.2 | Very low | 97 Ų | 97 | 136.1 Ų | 136.1 | 63% | 0.63 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 7.8 | -166.8 | 30.7 | -33.4 | 0 | 0 | 0 | 114 | Y1101 | Y1101-P1103 WeakPolarHBondContact O-CD 3.42Š|
| 1104 | V | 29.3 | Very low | 30.8 | Very low | 121 Ų | 121 | 140.6 Ų | 140.6 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -7 | -170.6 | -173.7 | 0 | 0 | 0 | 0 | 113.6 | D1102 | D1102-V1104 PolarHBondContact O-N 3.38Š|
| 1105 | K | 26.3 | Very low | 29.8 | Very low | 189 Ų | 189 | 143.6 Ų | 143.6 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -93.5 | -1.7 | 179.8 | -89.8 | -179.9 | 178.6 | 172.9 | 0 | 116.4 | Q1107 | K1105-Q1107 VanDerWaalsContact C-N 3.29Å; K1105-Q1107 PolarHBondContact O-N 3.16Å |
| 1106 | A | 28.5 | Very low | 28.9 | Very low | 100 Ų | 100 | 149.2 Ų | 149.2 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 15.6 | -178 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1107 | Q | 28.1 | Very low | 28.7 | Very low | 189 Ų | 189 | 152.4 Ų | 152.4 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.3 | 21.6 | -176.1 | -101.1 | -179.8 | -9.7 | 0 | 0 | 115.5 | K1105 | K1105-Q1107 VanDerWaalsContact C-N 3.29Å; K1105-Q1107 PolarHBondContact O-N 3.16Å |
| 1108 | R | 26.2 | Very low | 28.6 | Very low | 241 Ų | 241 | 154.5 Ų | 154.5 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -112.6 | 116.1 | 167.9 | -73.4 | -174.4 | 180 | -179.9 | -0 | 111 | ||||
| 1109 | S | 26.5 | Very low | 28.6 | Very low | 106 Ų | 106 | 155.8 Ų | 155.8 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | trans | -55.7 | 139.2 | 171.3 | 44.7 | 0 | 0 | 0 | 0 | 111.7 | G1111 | S1109-G1111 PolarHBondContact O-N 3.42Š| ||
| 1110 | P | 30.9 | Very low | 28.6 | Very low | 143 Ų | 143 | 153.6 Ų | 153.6 | 93% | 0.929 | 80% | 0.804 | S | S | * | * | trans | -83.6 | 93.8 | 171.3 | 32.3 | -27.6 | 0 | 0 | 0 | 108.8 | ||||
| 1111 | G | 31.6 | Very low | 28.4 | Very low | 56 Ų | 56 | 155.5 Ų | 155.5 | 58% | 0.577 | 81% | 0.805 | S | S | * | * | trans | -149.4 | 123.6 | 169 | 0 | 0 | 0 | 0 | 0 | 107.4 | S1109 | S1109-G1111 PolarHBondContact O-N 3.42Š| ||
| 1112 | E | 32.6 | Very low | 28.6 | Very low | 188 Ų | 188 | 150.5 Ų | 150.5 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 76.6 | 95.2 | -177 | -54.8 | -178.1 | 156 | 0 | 0 | 114.2 | ||
| 1113 | D | 30 | Very low | 29.7 | Very low | 160 Ų | 160 | 150.8 Ų | 150.8 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | trans | 174.9 | 85.2 | 137.8 | -85.2 | -19.9 | 0 | 0 | 0 | 108.9 | ||||
| 1114 | N | 26.9 | Very low | 29.6 | Very low | 156 Ų | 156 | 151.8 Ų | 151.8 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | trans | -167.4 | 71.7 | 154.9 | -106.1 | -14.2 | 0 | 0 | 0 | 110.5 | ||||
| 1115 | W | 29.4 | Very low | 29.5 | Very low | 233 Ų | 233 | 150.8 Ų | 150.8 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | -122.6 | 138.8 | 148 | -74 | 108.8 | 0 | 0 | 0 | 107.3 | ||||
| 1116 | H | 25.4 | Very low | 29.6 | Very low | 170 Ų | 170 | 146.3 Ų | 146.3 | 79% | 0.787 | 82% | 0.819 | S | S | * | * | trans | 89 | 93.5 | -175.9 | -48.2 | -69 | 0 | 0 | 0 | 115.7 | ||||
| 1117 | L | 27.6 | Very low | 30 | Very low | 171 Ų | 171 | 147.9 Ų | 147.9 | 90% | 0.895 | 82% | 0.821 | S | S | * | * | 175.2 | 93 | 106.1 | -95.7 | 142.6 | 0 | 0 | 0 | 111.1 | |||||
| 1118 | L | 29.4 | Very low | 29.9 | Very low | 172 Ų | 172 | 143.1 Ų | 143.1 | 90% | 0.901 | 81% | 0.814 | S | S | * | * | trans | -92.3 | 122.3 | 147.2 | -88.1 | 157.3 | 0 | 0 | 0 | 106.2 | ||||
| 1119 | V | 27.5 | Very low | 30 | Very low | 144 Ų | 144 | 140 Ų | 140 | 87% | 0.873 | 81% | 0.81 | S | S | * | * | trans | -173.3 | 140.2 | 139.3 | 166.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1120 | A | 29.6 | Very low | 30 | Very low | 72 Ų | 72 | 139.7 Ų | 139.7 | 60% | 0.595 | 80% | 0.804 | S | S | * | * | trans | -97.1 | 168.9 | -175 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1121 | Y | 25.1 | Very low | 29.8 | Very low | 223 Ų | 223 | 141.6 Ų | 141.6 | 88% | 0.875 | 80% | 0.8 | S | S | * | * | trans | 94.5 | 159.4 | 160.7 | -69.3 | -78.3 | 0 | 0 | 0 | 119.1 | ||||
| 1122 | P | 33.5 | Very low | 29.6 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | -131.3 | -166.9 | -74.4 | 40.8 | -18.8 | 0 | 0 | 0 | 111.5 | |||||
| 1123 | P | 51.8 | Low | 29.7 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | trans | -94.6 | 155.9 | -150.9 | 38.4 | -37.3 | 0 | 0 | 0 | 116.1 | ||||
| 1124 | S | 24.8 | Very low | 29.5 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -168 | 142.3 | 147.3 | 57.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1125 | A | 27.1 | Very low | 29.6 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | 68.9 | 123.6 | 141.7 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1126 | A | 28.6 | Very low | 29.3 | Very low | 94 Ų | 94 | 132.5 Ų | 132.5 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | trans | -65.9 | 165.2 | 156.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1127 | P | 38 | Very low | 29.4 | Very low | 134 Ų | 134 | 131.2 Ų | 131.2 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | -149.3 | 179.5 | 83 | 35.3 | -14 | 0 | 0 | 0 | 116.2 | |||||
| 1128 | A | 26.3 | Very low | 29.3 | Very low | 89 Ų | 89 | 131.4 Ų | 131.4 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | -75.9 | 161.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1129 | Q | 27.2 | Very low | 30 | Very low | 174 Ų | 174 | 128.3 Ų | 128.3 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | 154.6 | 132.3 | 116.6 | -86.1 | -170.1 | -9.3 | 0 | 0 | 114.4 | |||||
| 1130 | T | 26.2 | Very low | 31 | Very low | 100 Ų | 100 | 127.4 Ų | 127.4 | 61% | 0.613 | 77% | 0.772 | S | S | * | * | trans | 48.8 | 126.5 | 139.9 | 59.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 1131 | H | 27.7 | Very low | 30.8 | Very low | 184 Ų | 184 | 127.7 Ų | 127.7 | 85% | 0.852 | 78% | 0.782 | S | S | * | * | 172.5 | 132 | 103.9 | -96.2 | -77 | 0 | 0 | 0 | 112.1 | |||||
| 1132 | A | 26.5 | Very low | 30.9 | Very low | 83 Ų | 83 | 122.1 Ų | 122.1 | 69% | 0.686 | 78% | 0.782 | S | S | * | * | trans | -83.8 | 164.3 | 157.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1133 | P | 34.8 | Very low | 30.5 | Very low | 130 Ų | 130 | 120.1 Ų | 120.1 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | -145.3 | 160.5 | 103.9 | 33.8 | -16.1 | 0 | 0 | 0 | 116.1 | |||||
| 1134 | L | 26.5 | Very low | 30.1 | Very low | 164 Ų | 164 | 120.1 Ų | 120.1 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | trans | -87.7 | 161.2 | 165.4 | -94.4 | 121.3 | 0 | 0 | 0 | 111.3 | ||||
| 1135 | V | 28.1 | Very low | 30.1 | Very low | 119 Ų | 119 | 124 Ų | 124 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | 150.7 | 129 | 120.2 | 169.2 | 0 | 0 | 0 | 0 | 114.3 | I1137 | V1135-I1137 HydrophobicContact CG1-CD1 4.23Š| |||
| 1136 | S | 23.1 | Very low | 30.3 | Very low | 106 Ų | 106 | 127.2 Ų | 127.2 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | 139.2 | 105 | 135.7 | 61.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1137 | I | 27.9 | Very low | 30.1 | Very low | 142 Ų | 142 | 129.3 Ų | 129.3 | 73% | 0.728 | 80% | 0.796 | S | S | * | * | 82.1 | 93 | 68 | -65.1 | 165.4 | 0 | 0 | 0 | 111.6 | V1135 | V1135-I1137 HydrophobicContact CG1-CD1 4.23Š| |||
| 1138 | H | 26.8 | Very low | 29.5 | Very low | 176 Ų | 176 | 126.3 Ų | 126.3 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | 88.4 | 168.5 | 95 | -92.3 | -39.8 | 0 | 0 | 0 | 115.6 | |||||
| 1139 | P | 42.6 | Very low | 29.6 | Very low | 106 Ų | 106 | 128.5 Ų | 128.5 | 69% | 0.688 | 79% | 0.794 | S | S | * | * | cis | -141.1 | -142.2 | -40.8 | 40.4 | -18.7 | 0 | 0 | 0 | 111.3 | ||||
| 1140 | P | 49.2 | Very low | 29.6 | Very low | 126 Ų | 126 | 125 Ų | 125 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | -125.2 | 173.8 | -53.5 | 29.1 | -9.1 | 0 | 0 | 0 | 114.4 | |||||
| 1141 | G | 25.3 | Very low | 29.8 | Very low | 77 Ų | 77 | 126.4 Ų | 126.4 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | 169.5 | 96.9 | 157 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1142 | A | 27.2 | Very low | 29.7 | Very low | 107 Ų | 107 | 125.2 Ų | 125.2 | 88% | 0.884 | 79% | 0.793 | S | S | * | * | trans | 63.5 | 118.7 | 148.4 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1143 | G | 24.7 | Very low | 29.8 | Very low | 70 Ų | 70 | 128.3 Ų | 128.3 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | trans | -93.9 | -157.2 | 151.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1144 | P | 42.5 | Very low | 29.6 | Very low | 124 Ų | 124 | 126 Ų | 126 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | cis | -129 | 152.6 | -30.4 | 36.8 | -22 | 0 | 0 | 0 | 111.8 | ||||
| 1145 | Q | 25.7 | Very low | 29.8 | Very low | 198 Ų | 198 | 124.9 Ų | 124.9 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | trans | -146 | 127.8 | 156.3 | -80.4 | -164.7 | -17.4 | 0 | 0 | 111.7 | ||||
| 1146 | L | 30.6 | Very low | 30.3 | Very low | 169 Ų | 169 | 127.7 Ų | 127.7 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | trans | -59.8 | 139.8 | 166.5 | -78.4 | 96.3 | 0 | 0 | 0 | 110.5 | ||||
| 1147 | C | 25.6 | Very low | 30.5 | Very low | 137 Ų | 137 | 126.8 Ų | 126.8 | 93% | 0.926 | 78% | 0.779 | S | S | * | * | trans | -154.6 | 143.6 | 149.1 | -108.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1148 | G | 25.4 | Very low | 30.7 | Very low | 71 Ų | 71 | 129.2 Ų | 129.2 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 155.2 | -158.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | P1150 | G1148-P1150 WeakPolarHBondContact O-CD 3.34Š|
| 1149 | V | 27.5 | Very low | 31.2 | Very low | 135 Ų | 135 | 131.9 Ų | 131.9 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 118.8 | 166.5 | 178.2 | 0 | 0 | 0 | 0 | 108.8 | ||
| 1150 | P | 27.8 | Very low | 30.4 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 66% | 0.656 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 126.1 | 157.4 | 18.7 | -3.7 | 0 | 0 | 0 | 108.2 | G1148 L1152 | G1148-P1150 WeakPolarHBondContact O-CD 3.34Å; P1150-L1152 PolarHBondContact O-N 3.32Å |
| 1151 | V | 29.5 | Very low | 29.5 | Very low | 130 Ų | 130 | 136.3 Ų | 136.3 | 79% | 0.788 | 79% | 0.79 | S | S | * | * | trans | -60.3 | 102 | 167.6 | 175.1 | 0 | 0 | 0 | 0 | 108.3 | L1153 | V1151-L1153 PolarHBondContact O-N 2.94Š| ||
| 1152 | L | 27.1 | Very low | 30 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | trans | -85.5 | 103.1 | 167 | -87.2 | 160.3 | 0 | 0 | 0 | 108.5 | P1150 | P1150-L1152 PolarHBondContact O-N 3.32Š| ||
| 1153 | L | 28.8 | Very low | 30.3 | Very low | 149 Ų | 149 | 139.2 Ų | 139.2 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | trans | -59.6 | 126.4 | 165.1 | -87 | 151.5 | 0 | 0 | 0 | 109.9 | V1151 | V1151-L1153 PolarHBondContact O-N 2.94Š| ||
| 1154 | P | 30.6 | Very low | 30.8 | Very low | 81 Ų | 81 | 138.7 Ų | 138.7 | 53% | 0.526 | 78% | 0.78 | S | S | . | * | trans | -74 | 147.5 | 175.3 | 21.1 | -21.3 | 0 | 0 | 0 | 112.3 | W1156 | P1154-W1156 VanDerWaalsContact O-CD1 3.31Å; P1154-W1156 PolarHBondContact O-N 3.48Å | ||
| 1155 | T | 30.8 | Very low | 30.5 | Very low | 141 Ų | 141 | 138.8 Ų | 138.8 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -64.4 | 17.8 | -166.2 | 40.3 | 0 | 0 | 0 | 0 | 117.6 | ||
| 1156 | W | 36.9 | Very low | 31 | Very low | 178 Ų | 178 | 135 Ų | 135 | 67% | 0.674 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -90 | -13.5 | -175.2 | 61.8 | -90.2 | 0 | 0 | 0 | 114.9 | P1154 K1158 R1159 | P1154-W1156 VanDerWaalsContact O-CD1 3.31Å; P1154-W1156 PolarHBondContact O-N 3.48Å; W1156-K1158 PolarHBondContact O-N 2.91Å; W1156-K1158 VanDerWaalsContact O-N 3.11Å; W1156-R1159 PolarHBondContact O-N 3.39Å |
| 1157 | A | 28.7 | Very low | 31.1 | Very low | 86 Ų | 86 | 132.8 Ų | 132.8 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -71.2 | -1.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1158 | K | 31.3 | Very low | 31.3 | Very low | 194 Ų | 194 | 129.9 Ų | 129.9 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -96.2 | 2.4 | 177.4 | -80.9 | -175.7 | 176.3 | 179.7 | 0 | 115.1 | W1156 | W1156-K1158 PolarHBondContact O-N 2.91Å; W1156-K1158 VanDerWaalsContact O-N 3.11Å |
| 1159 | R | 37 | Very low | 31.5 | Very low | 232 Ų | 232 | 133.2 Ų | 133.2 | 88% | 0.875 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -100.2 | 7.4 | -172.9 | -78.3 | -171.3 | -179 | -176.9 | 1.1 | 116.6 | W1156 | W1156-R1159 PolarHBondContact O-N 3.39Š|
| 1160 | L | 26.6 | Very low | 31.6 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -104.4 | -3.8 | -177.5 | -85.6 | 157.4 | 0 | 0 | 0 | 115.5 | ||
| 1161 | F | 30.7 | Very low | 31.7 | Very low | 182 Ų | 182 | 137.7 Ų | 137.7 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -140.1 | 132.8 | 174.9 | -63.6 | -79.5 | 0 | 0 | 0 | 110.5 | ||
| 1162 | P | 36 | Very low | 31.6 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 144.5 | 175.8 | 28.5 | -32.3 | 0 | 0 | 0 | 110.2 | G1164 | P1162-G1164 PolarHBondContact O-N 3.3Š|
| 1163 | P | 32.2 | Very low | 31.6 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 132.3 | 172.4 | 29.5 | -30.3 | 0 | 0 | 0 | 109.3 | ||
| 1164 | G | 35.7 | Very low | 31.5 | Very low | 59 Ų | 59 | 133.5 Ų | 133.5 | 61% | 0.608 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 167.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | P1162 | P1162-G1164 PolarHBondContact O-N 3.3Š|
| 1165 | P | 35 | Very low | 31.3 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 148.6 | 178.3 | 28 | -32.9 | 0 | 0 | 0 | 110.6 | ||
| 1166 | P | 37.3 | Very low | 31.1 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 147.1 | -168.8 | 28.3 | -33.7 | 0 | 0 | 0 | 112 | G1168 | P1166-G1168 PolarHBondContact O-N 2.95Š|
| 1167 | P | 32.1 | Very low | 30.7 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 126.5 | 174 | 30 | -30.5 | 0 | 0 | 0 | 109.8 | T1169 | P1167-T1169 PolarHBondContact O-N 3.47Š|
| 1168 | G | 29.5 | Very low | 30.5 | Very low | 76 Ų | 76 | 143.7 Ų | 143.7 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 125 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110 | P1166 N1170 | P1166-G1168 PolarHBondContact O-N 2.95Å; G1168-N1170 PolarHBondContact O-N 3.05Å |
| 1169 | T | 30.5 | Very low | 30.3 | Very low | 142 Ų | 142 | 142.8 Ų | 142.8 | 87% | 0.871 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 119.4 | 169.5 | 40.2 | 0 | 0 | 0 | 0 | 109.8 | P1167 | P1167-T1169 PolarHBondContact O-N 3.47Š|
| 1170 | N | 29.4 | Very low | 29.8 | Very low | 159 Ų | 159 | 139.7 Ų | 139.7 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | -96.7 | 115.8 | 162.7 | -97 | -14.4 | 0 | 0 | 0 | 108.9 | G1168 | G1168-N1170 PolarHBondContact O-N 3.05Š| ||
| 1171 | D | 29.2 | Very low | 29.7 | Very low | 171 Ų | 171 | 140.4 Ų | 140.4 | 91% | 0.914 | 81% | 0.805 | S | S | * | * | trans | -135 | 119.7 | 142.3 | -84.2 | -31.7 | 0 | 0 | 0 | 102.4 | ||||
| 1172 | G | 28.1 | Very low | 30.5 | Very low | 64 Ų | 64 | 136.3 Ų | 136.3 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | cis | 118.4 | 87.7 | 26.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1173 | T | 28 | Very low | 30 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | trans | 173.5 | 136.4 | 136.8 | 27.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1174 | M | 26.8 | Very low | 29.9 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | 82.3 | 95.2 | 144.2 | -67.8 | -74.7 | -178.2 | 0 | 0 | 121.6 | ||||
| 1175 | Q | 26.4 | Very low | 29.5 | Very low | 178 Ų | 178 | 146 Ų | 146 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | 57.6 | 105.3 | 119.7 | -71.5 | -177.4 | -13.1 | 0 | 0 | 120.9 | |||||
| 1176 | G | 26.3 | Very low | 29.5 | Very low | 74 Ų | 74 | 145 Ų | 145 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | 97.6 | 105.7 | 110.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 1177 | Q | 27.1 | Very low | 29.3 | Very low | 208 Ų | 208 | 148.6 Ų | 148.6 | 97% | 0.972 | 81% | 0.809 | S | S | * | * | -177.7 | 143.3 | 110.6 | -102.2 | -179.8 | -8.7 | 0 | 0 | 112.4 | |||||
| 1178 | R | 26.1 | Very low | 29.2 | Very low | 240 Ų | 240 | 151.8 Ų | 151.8 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | trans | -77 | 149.8 | -177.2 | -72.9 | 171.5 | 167.9 | 173.7 | -4.3 | 112.8 | ||||
| 1179 | Q | 27.2 | Very low | 29.2 | Very low | 175 Ų | 175 | 156 Ų | 156 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | -178.6 | 106 | 129.1 | -99.8 | 168.1 | 12.1 | 0 | 0 | 108.9 | |||||
| 1180 | Q | 25.7 | Very low | 29.4 | Very low | 168 Ų | 168 | 155.1 Ų | 155.1 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | 95.7 | 94.7 | 93.1 | -85.7 | -170 | -7.1 | 0 | 0 | 115.4 | |||||
| 1181 | L | 25.1 | Very low | 29.6 | Very low | 157 Ų | 157 | 155.4 Ų | 155.4 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | 62.4 | 158.1 | 135.6 | -76.1 | 146.6 | 0 | 0 | 0 | 122.2 | ||||
| 1182 | P | 46.1 | Very low | 29.7 | Very low | 96 Ų | 96 | 155.3 Ų | 155.3 | 62% | 0.623 | 80% | 0.801 | S | S | * | * | cis | -134.7 | 167.3 | -10.9 | 34.4 | -14.7 | 0 | 0 | 0 | 117.4 | ||||
| 1183 | H | 27 | Very low | 30 | Very low | 176 Ų | 176 | 162.1 Ų | 162.1 | 82% | 0.815 | 81% | 0.807 | S | S | * | * | trans | 71.6 | 135.2 | 149.9 | -85.1 | -45.8 | 0 | 0 | 0 | 118.9 | ||||
| 1184 | I | 28.7 | Very low | 30.3 | Very low | 151 Ų | 151 | 163 Ų | 163 | 77% | 0.774 | 80% | 0.801 | S | S | * | * | cis | -158.6 | 142.3 | 32.9 | -81.5 | 120.7 | 0 | 0 | 0 | 109.9 | ||||
| 1185 | Q | 29 | Very low | 30.6 | Very low | 180 Ų | 180 | 166.3 Ų | 166.3 | 84% | 0.841 | 81% | 0.805 | S | S | * | * | trans | -129.3 | 144.9 | 153.7 | -117.3 | -175 | 2.4 | 0 | 0 | 106.8 | ||||
| 1186 | P | 34.4 | Very low | 31 | Very low | 106 Ų | 106 | 165.7 Ų | 165.7 | 69% | 0.688 | 80% | 0.802 | S | S | * | * | -149.2 | 137.4 | 83.5 | 35.6 | -15.9 | 0 | 0 | 0 | 115.7 | |||||
| 1187 | Q | 31.8 | Very low | 31.5 | Very low | 193 Ų | 193 | 168.6 Ų | 168.6 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -132.2 | 75.3 | 157.4 | -94 | -170.8 | -16.6 | 0 | 0 | 108.8 | ||||
| 1188 | Q | 30.1 | Very low | 31.9 | Very low | 189 Ų | 189 | 166 Ų | 166 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -152.7 | 44.7 | 170 | -130.5 | 176.6 | 6.1 | 0 | 0 | 111.3 | ||||
| 1189 | Q | 29.4 | Very low | 32.5 | Very low | 165 Ų | 165 | 162.2 Ų | 162.2 | 77% | 0.771 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -141.2 | 22.2 | -176.9 | -125.7 | -178.6 | 14.1 | 0 | 0 | 115.4 | ||
| 1190 | V | 36.4 | Very low | 33 | Very low | 123 Ų | 123 | 165.2 Ų | 165.2 | 75% | 0.745 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -114.8 | -13.6 | 179.6 | -176.8 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1191 | L | 32.7 | Very low | 33.4 | Very low | 166 Ų | 166 | 165.1 Ų | 165.1 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -91.6 | -15.3 | 179.7 | -117.3 | 85.8 | 0 | 0 | 0 | 115.3 | ||
| 1192 | E | 32.3 | Very low | 33.8 | Very low | 168 Ų | 168 | 165.5 Ų | 165.5 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -92.1 | -12.8 | 177.7 | -78.8 | -178 | 153.5 | 0 | 0 | 113.8 | H1194 | E1192-H1194 PolarHBondContact O-N 2.68Š|
| 1193 | R | 32.6 | Very low | 33.1 | Very low | 208 Ų | 208 | 169.4 Ų | 169.4 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | 1.8 | -179.5 | -124.9 | -179.7 | -167.6 | -174.3 | 3.8 | 115.2 | ||
| 1194 | H | 35.1 | Very low | 33.5 | Very low | 154 Ų | 154 | 169 Ų | 169 | 71% | 0.713 | 81% | 0.813 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | -1.1 | 176.4 | -90.8 | 27.8 | 0 | 0 | 0 | 113.7 | E1192 | E1192-H1194 PolarHBondContact O-N 2.68Š|
| 1195 | R | 33 | Very low | 33.8 | Very low | 217 Ų | 217 | 170.1 Ų | 170.1 | 82% | 0.819 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -94.1 | -17.5 | 179.6 | -138.9 | 177.3 | -175.4 | -166.9 | 0 | 114.1 | ||
| 1196 | E | 34.5 | Very low | 34.1 | Very low | 165 Ų | 165 | 169.5 Ų | 169.5 | 77% | 0.771 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -96.7 | -6.8 | 179.4 | -75.4 | -175 | 153.7 | 0 | 0 | 114.8 | ||
| 1197 | L | 38.1 | Very low | 34 | Very low | 136 Ų | 136 | 174 Ų | 174 | 71% | 0.712 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -99 | 6.8 | 176.9 | -89.4 | 159.9 | 0 | 0 | 0 | 114 | ||
| 1198 | L | 34.7 | Very low | 34.2 | Very low | 152 Ų | 152 | 172.5 Ų | 172.5 | 80% | 0.796 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -114.3 | 11.1 | 175.8 | -86.8 | 160.8 | 0 | 0 | 0 | 112.8 | ||
| 1199 | L | 38.5 | Very low | 34.6 | Very low | 162 Ų | 162 | 171.2 Ų | 171.2 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | trans | -131.6 | 22.3 | 175.9 | -87.6 | 162.6 | 0 | 0 | 0 | 113.3 | ||||
| 1200 | Q | 37.5 | Very low | 35 | Very low | 238 Ų | 238 | 171.7 Ų | 171.7 | 100% | 1.112 | 81% | 0.814 | S | S | * | * | trans | -126.9 | 0 | 154.8 | -78.4 | -173.7 | -8.9 | 0 | 0 | 107.5 |
Retrieved 1,200 of 1,200 residues in 340.1 ms
(Link to these results)