| 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 | 56.6 | Low | 84.4 | Confident | 188 Ų | 188 | 52.8 Ų | 52.8 | 93% | 0.926 | 31% | 0.309 | S | S | * | . | 0 | 123.7 | 0 | -68.8 | 174.6 | -170.3 | 0 | 0 | 106.1 | W3 Y43 | M1-W3 HydrophobicContact SD-CZ2 4.05Å; M1-Y43 PolarHBondContact O-OH 2.97Å | |||
| 2 | N | 75.1 | Confident | 85 | Confident | 158 Ų | 158 | 56.6 Ų | 56.6 | 85% | 0.845 | 32% | 0.319 | S | S | * | . | trans | -111.4 | 99 | 175.8 | -74.1 | 6 | 0 | 0 | 0 | 107.3 | Y43 | N2-Y43 WeakPolarHBondContact CA-OH 3.34Š| ||
| 3 | W | 86.6 | Confident | 85.4 | Confident | 18 Ų | 18 | 55.9 Ų | 55.9 | 7% | 0.068 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -77.8 | 153.6 | 172.8 | -64.7 | -43.6 | 0 | 0 | 0 | 110.1 | M1 T7 I33 T36 Y43 V61 E63 | M1-W3 HydrophobicContact SD-CZ2 4.05Å; W3-T7 HydrophobicContact CB-CG2 4.02Å; W3-T7 HydrophobicContact CG-CG2 3.9Å; W3-I33 HydrophobicContact CB-CG1 4.11Å; W3-I33 HydrophobicContact CE3-CD1 4.02Å; W3-I33 HydrophobicContact CE3-CG1 4.34Å; W3-T36 WeakPolarHBondContact O-CG2 3.28Å; W3-Y43 HydrophobicContact CB-CE1 4.11Å; W3-Y43 HydrophobicContact CD2-CE2 4.36Å; W3-Y43 AromaticContact CE3-CD2 3.73Å; W3-Y43 HydrophobicContact CE3-CD2 3.73Å; W3-Y43 HydrophobicContact CE3-CE1 4.42Å; W3-Y43 AromaticContact CE3-CE2 3.46Å; W3-Y43 HydrophobicContact CE3-CE2 3.46Å; W3-Y43 VanDerWaalsContact CE3-CE2 3.46Å; W3-Y43 HydrophobicContact CE3-CG 4.33Å; W3-Y43 AromaticContact CE3-CZ 3.84Å; W3-Y43 AromaticContact CZ3-CD2 3.94Å; W3-Y43 HydrophobicContact CZ3-CD2 3.94Å; W3-Y43 AromaticContact CZ3-CE2 3.8Å; W3-Y43 HydrophobicContact CZ3-CE2 3.8Å; W3-Y43 PolarHBondContact N-OH 2.84Å; W3-Y43 VanDerWaalsContact N-OH 3.16Å; W3-V61 HydrophobicContact CH2-CG2 3.6Å; W3-V61 HydrophobicContact CZ3-CG2 3.53Å; W3-E63 PolarHBondContact NE1-OE2 3.46Å |
| 4 | A | 86.4 | Confident | 85.9 | Confident | 55 Ų | 55 | 56.6 Ų | 56.6 | 46% | 0.455 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -97.3 | 158.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110 | G6 T7 | A4-G6 PolarHBondContact O-N 3.48Å; A4-T7 PolarHBondContact N-OG1 3.18Å; A4-T7 VanDerWaalsContact O-CB 3.31Å; A4-T7 WeakPolarHBondContact O-CB 3.22Å; A4-T7 PolarHBondContact O-N 2.89Å; A4-T7 PolarHBondContact O-OG1 2.71Å |
| 5 | P | 87.1 | Confident | 86.4 | Confident | 84 Ų | 84 | 54.4 Ų | 54.4 | 55% | 0.545 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | 135.6 | 164.9 | -27.2 | 37.3 | 0 | 0 | 0 | 111 | V34 T36 | P5-V34 WeakPolarHBondContact CB-O 3.47Å; P5-T36 HydrophobicContact CG-CG2 4.25Å |
| 6 | G | 83.2 | Confident | 86.5 | Confident | 25 Ų | 25 | 61.9 Ų | 61.9 | 26% | 0.258 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.7 | -22.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | A4 Q8 I33 Q240 | A4-G6 PolarHBondContact O-N 3.48Å; G6-Q8 PolarHBondContact O-N 3.49Å; G6-I33 PolarHBondContact N-O 3.07Å; G6-Q240 PolarHBondContact O-NE2 3.22Å; G6-Q240 PolarHBondContact O-OE1 2.81Å |
| 7 | T | 88 | Confident | 86.4 | Confident | 23 Ų | 23 | 69.8 Ų | 69.8 | 14% | 0.141 | 36% | 0.361 | C | S | . | . | trans | -55.1 | 127 | -179.6 | -64.4 | 0 | 0 | 0 | 0 | 111 | W3 A4 I33 E63 | W3-T7 HydrophobicContact CB-CG2 4.02Å; W3-T7 HydrophobicContact CG-CG2 3.9Å; A4-T7 PolarHBondContact N-OG1 3.18Å; A4-T7 VanDerWaalsContact O-CB 3.31Å; A4-T7 WeakPolarHBondContact O-CB 3.22Å; A4-T7 PolarHBondContact O-N 2.89Å; A4-T7 PolarHBondContact O-OG1 2.71Å; T7-I33 WeakPolarHBondContact O-CG1 3.39Å; T7-I33 PolarHBondContact O-N 2.81Å; T7-E63 HydrophobicContact CG2-CG 3.85Å | ||
| 8 | Q | 90.7 | Very high | 86.1 | Confident | 18 Ų | 18 | 67.5 Ų | 67.5 | 8% | 0.084 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 139.4 | 172.7 | -70.2 | -170.6 | -8 | 0 | 0 | 110.5 | G6 I30 L31 N48 R64 | G6-Q8 PolarHBondContact O-N 3.49Å; Q8-I30 HydrophobicContact CB-CG2 4.26Å; Q8-I30 HydrophobicContact CG-CG2 4.42Å; Q8-L31 CarbonylContact C-O 3.57Å; Q8-L31 WeakPolarHBondContact CA-O 3.37Å; Q8-N48 PolarHBondContact NE2-ND2 2.98Å; Q8-R64 HydrophobicContact CB-CB 3.98Å; Q8-R64 WeakPolarHBondContact O-CB 3.48Å; Q8-R64 PolarHBondContact O-N 2.95Å |
| 9 | C | 91.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 151.1 | 177.8 | -58.5 | 0 | 0 | 0 | 0 | 111 | I30 L31 V61 R62 | C9-I30 WeakPolarHBondContact O-CA 3.3Å; C9-L31 PolarHBondContact N-O 3.02Å; C9-L31 PolarHBondContact O-N 2.7Å; C9-V61 HydrophobicContact CB-CB 3.96Å; C9-V61 HydrophobicContact CB-CG2 4.12Å; C9-R62 CarbonylContact C-O 3.53Å; C9-R62 WeakPolarHBondContact CA-O 3.32Å; C9-R62 WeakPolarHBondContact CB-O 3.44Å |
| 10 | V | 91.5 | Very high | 86.2 | Confident | 10 Ų | 10 | 74.7 Ų | 74.7 | 6% | 0.061 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 128 | 173.5 | -170.7 | 0 | 0 | 0 | 0 | 109 | K12 I30 V61 R62 R64 | V10-K12 PolarHBondContact O-N 2.7Å; V10-I30 HydrophobicContact CB-CD1 4.4Å; V10-I30 HydrophobicContact CG1-CD1 4.32Å; V10-I30 HydrophobicContact CG2-CD1 3.81Å; V10-V61 WeakPolarHBondContact O-CA 3.46Å; V10-R62 HydrophobicContact CB-CG 4.21Å; V10-R62 PolarHBondContact N-O 3.47Å; V10-R62 PolarHBondContact O-N 3.23Å; V10-R64 HydrophobicContact CG2-CB 3.86Å; V10-R64 HydrophobicContact CG2-CG 3.88Å |
| 11 | A | 91.9 | Very high | 86.2 | Confident | 2 Ų | 2 | 73.8 Ų | 73.8 | 2% | 0.017 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 128.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y25 H26 G28 D29 | A11-Y25 HydrophobicContact CB-CD2 3.57Å; A11-Y25 HydrophobicContact CB-CE2 3.97Å; A11-Y25 HydrophobicContact CB-CG 4.44Å; A11-H26 VanDerWaalsContact CB-O 3.27Å; A11-H26 WeakPolarHBondContact CB-O 3.41Å; A11-G28 PolarHBondContact O-N 2.68Å; A11-D29 HydrophobicContact CB-CB 4.5Å; A11-D29 PolarHBondContact N-O 3.15Å |
| 12 | K | 91.6 | Very high | 87.9 | Confident | 98 Ų | 98 | 66.5 Ų | 66.5 | 43% | 0.426 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -88.1 | -20.8 | 179.8 | -61.9 | -177.3 | -63.2 | -166 | 0 | 112.9 | V10 K27 S59 N60 V61 R62 | V10-K12 PolarHBondContact O-N 2.7Å; K12-K27 WeakPolarHBondContact O-CD 3.25Å; K12-K27 WeakPolarHBondContact O-CG 3.39Å; K12-S59 WeakPolarHBondContact CE-O 3.46Å; K12-S59 PolarHBondContact NZ-O 3.38Å; K12-N60 WeakPolarHBondContact CB-O 3.48Å; K12-N60 PolarHBondContact N-O 3.46Å; K12-V61 VanDerWaalsContact CE-O 3.27Å; K12-V61 WeakPolarHBondContact CE-O 3.35Å; K12-V61 PolarHBondContact NZ-O 2.81Å; K12-R62 HydrophobicContact CD-CB 4.28Å; K12-R62 HydrophobicContact CD-CG 4.49Å; K12-R62 HydrophobicContact CG-CG 4.29Å |
| 13 | C | 90.7 | Very high | 88.8 | Confident | 48 Ų | 48 | 59.2 Ų | 59.2 | 32% | 0.324 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -146.1 | 169.8 | -178.5 | 54.8 | 0 | 0 | 0 | 0 | 110 | Y25 | C13-Y25 WeakPolarHBondContact O-CE2 3.28Š|
| 14 | D | 92.1 | Very high | 89.1 | Confident | 65 Ų | 65 | 62.6 Ų | 62.6 | 35% | 0.348 | 35% | 0.346 | S | S | . | . | trans | -81 | 143.8 | 174.3 | -57.4 | -9.1 | 0 | 0 | 0 | 110.8 | R16 K27 | D14-R16 HydrophobicContact CB-CG 3.94Å; D14-R16 IonicContact OD2-CZ 3.16Å; D14-R16 IonicContact OD2-NE 2.81Å; D14-R16 PolarHBondContact OD2-NE 2.72Å; D14-R16 IonicContact OD2-NH2 2.71Å; D14-R16 PolarHBondContact OD2-NH2 2.83Å; D14-K27 VanDerWaalsContact OD1-CB 3.25Å; D14-K27 WeakPolarHBondContact OD1-CB 3.49Å; D14-K27 PolarHBondContact OD1-N 3.12Å | ||
| 15 | N | 92.6 | Very high | 89.4 | Confident | 24 Ų | 24 | 60.1 Ų | 60.1 | 13% | 0.128 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -117.8 | 67.8 | 166.3 | -169.8 | 29.6 | 0 | 0 | 0 | 110.2 | K17 L23 L24 Y25 | N15-K17 VanDerWaalsContact C-N 3.31Å; N15-K17 PolarHBondContact O-N 2.77Å; N15-L23 PolarHBondContact ND2-O 3.12Å; N15-L24 VanDerWaalsContact O-CD2 3.22Å; N15-L24 WeakPolarHBondContact O-CD2 3.14Å; N15-Y25 HydrophobicContact CB-CD1 3.93Å; N15-Y25 HydrophobicContact CB-CD2 3.9Å; N15-Y25 HydrophobicContact CB-CE1 3.55Å; N15-Y25 HydrophobicContact CB-CE2 3.54Å; N15-Y25 HydrophobicContact CB-CG 4.09Å; N15-Y25 PolarHBondContact N-O 3.05Å |
| 16 | R | 88.4 | Confident | 89.6 | Confident | 175 Ų | 175 | 60.7 Ų | 60.7 | 66% | 0.66 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -12.8 | -177.1 | -60.8 | -179.7 | -168 | -156.6 | 0.8 | 114.5 | D14 | D14-R16 HydrophobicContact CB-CG 3.94Å; D14-R16 IonicContact OD2-CZ 3.16Å; D14-R16 IonicContact OD2-NE 2.81Å; D14-R16 PolarHBondContact OD2-NE 2.72Å; D14-R16 IonicContact OD2-NH2 2.71Å; D14-R16 PolarHBondContact OD2-NH2 2.83Å |
| 17 | K | 84.6 | Confident | 89.9 | Confident | 195 Ų | 195 | 66.3 Ų | 66.3 | 85% | 0.848 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.8 | 55.3 | -178.2 | -64.6 | -175.2 | -179.6 | -178.1 | 0 | 109.5 | N15 K19 | N15-K17 VanDerWaalsContact C-N 3.31Å; N15-K17 PolarHBondContact O-N 2.77Å; K17-K19 PolarHBondContact O-N 2.81Å |
| 18 | A | 80.6 | Confident | 89.6 | Confident | 29 Ų | 29 | 67.1 Ų | 67.1 | 24% | 0.24 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 136.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | E22 L24 | A18-E22 HydrophobicContact CB-CB 3.9Å; A18-E22 WeakPolarHBondContact CB-O 3.25Å; A18-L24 HydrophobicContact CB-CD2 3.52Å; A18-L24 HydrophobicContact CB-CG 3.91Å |
| 19 | K | 87.4 | Confident | 89.5 | Confident | 143 Ų | 143 | 66.7 Ų | 66.7 | 62% | 0.622 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -69 | 163.8 | 171.1 | -64.3 | 178.9 | -178.1 | 178.5 | 0 | 109.8 | K17 G21 E22 | K17-K19 PolarHBondContact O-N 2.81Å; K19-G21 PolarHBondContact O-N 3.47Å; K19-E22 HydrophobicContact CB-CG 4.21Å; K19-E22 PolarHBondContact N-OE2 2.96Å; K19-E22 WeakPolarHBondContact O-CB 3.48Å; K19-E22 PolarHBondContact O-N 2.96Å |
| 20 | P | 86.9 | Confident | 89.4 | Confident | 136 Ų | 136 | 68 Ų | 68 | 88% | 0.883 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | 125.8 | 173.8 | -27.4 | 35.5 | 0 | 0 | 0 | 111.8 | E22 | P20-E22 VanDerWaalsContact C-N 3.32Š|
| 21 | G | 87.1 | Confident | 89.4 | Confident | 55 Ų | 55 | 67.5 Ų | 67.5 | 57% | 0.567 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | -2.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | K19 L55 | K19-G21 PolarHBondContact O-N 3.47Å; G21-L55 WeakPolarHBondContact O-CB 3.42Å; G21-L55 PolarHBondContact O-N 3.02Å |
| 22 | E | 92.8 | Very high | 89.4 | Confident | 35 Ų | 35 | 68.1 Ų | 68.1 | 16% | 0.164 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -89.7 | 148.5 | 170.2 | -67.6 | 179 | 176 | 0 | 0 | 111.1 | A18 K19 P20 R39 L55 | A18-E22 HydrophobicContact CB-CB 3.9Å; A18-E22 WeakPolarHBondContact CB-O 3.25Å; K19-E22 HydrophobicContact CB-CG 4.21Å; K19-E22 PolarHBondContact N-OE2 2.96Å; K19-E22 WeakPolarHBondContact O-CB 3.48Å; K19-E22 PolarHBondContact O-N 2.96Å; P20-E22 VanDerWaalsContact C-N 3.32Å; E22-R39 IonicContact OE1-NH2 3.96Å; E22-R39 PolarHBondContact OE1-NH2 3.03Å; E22-L55 VanDerWaalsContact CA-O 3.31Å; E22-L55 WeakPolarHBondContact CA-O 3.43Å; E22-L55 HydrophobicContact CG-CB 4.24Å |
| 23 | L | 93.8 | Very high | 89.5 | Confident | 5 Ų | 5 | 63.5 Ų | 63.5 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 134.6 | -178.6 | -171.4 | 63.7 | 0 | 0 | 0 | 110.9 | N15 Y25 L31 H47 E52 L55 I56 | N15-L23 PolarHBondContact ND2-O 3.12Å; L23-Y25 HydrophobicContact CB-CD1 4.36Å; L23-Y25 HydrophobicContact CG-CD1 4.46Å; L23-Y25 WeakPolarHBondContact O-CD1 3.31Å; L23-Y25 VanDerWaalsContact O-CE1 3.28Å; L23-Y25 WeakPolarHBondContact O-CE1 3.42Å; L23-L31 HydrophobicContact CD2-CD2 3.91Å; L23-H47 HydrophobicContact CD1-CB 4.34Å; L23-H47 HydrophobicContact CD2-CB 4.1Å; L23-E52 HydrophobicContact CD1-CB 3.82Å; L23-E52 WeakPolarHBondContact CD1-O 3.28Å; L23-L55 PolarHBondContact N-O 3.33Å; L23-I56 HydrophobicContact CB-CG2 3.9Å; L23-I56 HydrophobicContact CD2-CG2 3.99Å |
| 24 | L | 93.3 | Very high | 89.6 | Confident | 89 Ų | 89 | 63.4 Ų | 63.4 | 47% | 0.466 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 134.8 | 169.2 | -70.3 | 169.8 | 0 | 0 | 0 | 109.8 | N15 A18 | N15-L24 VanDerWaalsContact O-CD2 3.22Å; N15-L24 WeakPolarHBondContact O-CD2 3.14Å; A18-L24 HydrophobicContact CB-CD2 3.52Å; A18-L24 HydrophobicContact CB-CG 3.91Å |
| 25 | Y | 93 | Very high | 89.4 | Confident | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.016 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -159.8 | 160.6 | 176.4 | 53 | -95.4 | 0 | 0 | 0 | 111.3 | A11 C13 N15 L23 L31 I56 | A11-Y25 HydrophobicContact CB-CD2 3.57Å; A11-Y25 HydrophobicContact CB-CE2 3.97Å; A11-Y25 HydrophobicContact CB-CG 4.44Å; C13-Y25 WeakPolarHBondContact O-CE2 3.28Å; N15-Y25 HydrophobicContact CB-CD1 3.93Å; N15-Y25 HydrophobicContact CB-CD2 3.9Å; N15-Y25 HydrophobicContact CB-CE1 3.55Å; N15-Y25 HydrophobicContact CB-CE2 3.54Å; N15-Y25 HydrophobicContact CB-CG 4.09Å; N15-Y25 PolarHBondContact N-O 3.05Å; L23-Y25 HydrophobicContact CB-CD1 4.36Å; L23-Y25 HydrophobicContact CG-CD1 4.46Å; L23-Y25 WeakPolarHBondContact O-CD1 3.31Å; L23-Y25 VanDerWaalsContact O-CE1 3.28Å; L23-Y25 WeakPolarHBondContact O-CE1 3.42Å; Y25-L31 HydrophobicContact CD1-CD1 3.84Å; Y25-L31 HydrophobicContact CD2-CD1 4.42Å; Y25-L31 HydrophobicContact CE1-CD1 4.19Å; Y25-L31 HydrophobicContact CG-CD1 3.98Å; Y25-I56 HydrophobicContact CD1-CG2 4.36Å; Y25-I56 HydrophobicContact CE1-CB 4.47Å; Y25-I56 HydrophobicContact CE1-CG2 3.91Å |
| 26 | H | 90.8 | Very high | 89.1 | Confident | 96 Ų | 96 | 64.9 Ų | 64.9 | 44% | 0.444 | 34% | 0.344 | S | S | . | . | trans | -106.8 | 159.2 | 172.4 | -57.8 | 89.8 | 0 | 0 | 0 | 110.6 | A11 G28 D29 | A11-H26 VanDerWaalsContact CB-O 3.27Å; A11-H26 WeakPolarHBondContact CB-O 3.41Å; H26-G28 PolarHBondContact O-N 3.29Å; H26-D29 WeakPolarHBondContact CA-OD2 3.5Å; H26-D29 WeakPolarHBondContact CB-OD2 3.32Å; H26-D29 IonicContact CG-OD2 3.98Å; H26-D29 PolarHBondContact N-OD2 2.96Å; H26-D29 IonicContact ND1-OD2 3.65Å; H26-D29 VanDerWaalsContact O-CB 3.28Å; H26-D29 WeakPolarHBondContact O-CB 3.33Å; H26-D29 VanDerWaalsContact O-CG 3.31Å; H26-D29 PolarHBondContact O-N 3.34Å | ||
| 27 | K | 88.1 | Confident | 88.6 | Confident | 142 Ų | 142 | 61.2 Ų | 61.2 | 62% | 0.617 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 127.7 | 172.1 | 178.4 | 177.6 | 178.9 | -173.9 | 0 | 109.8 | K12 D14 | K12-K27 WeakPolarHBondContact O-CD 3.25Å; K12-K27 WeakPolarHBondContact O-CG 3.39Å; D14-K27 VanDerWaalsContact OD1-CB 3.25Å; D14-K27 WeakPolarHBondContact OD1-CB 3.49Å; D14-K27 PolarHBondContact OD1-N 3.12Å |
| 28 | G | 82.3 | Confident | 88.4 | Confident | 40 Ų | 40 | 53.9 Ų | 53.9 | 41% | 0.412 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.6 | -12.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | A11 H26 | A11-G28 PolarHBondContact O-N 2.68Å; H26-G28 PolarHBondContact O-N 3.29Å |
| 29 | D | 88.1 | Confident | 88.6 | Confident | 10 Ų | 10 | 59.2 Ų | 59.2 | 5% | 0.053 | 33% | 0.33 | C | S | . | . | trans | -63.8 | 145.5 | 177.6 | -70.1 | -10.6 | 0 | 0 | 0 | 111.2 | A11 H26 L31 H47 | A11-D29 HydrophobicContact CB-CB 4.5Å; A11-D29 PolarHBondContact N-O 3.15Å; H26-D29 WeakPolarHBondContact CA-OD2 3.5Å; H26-D29 WeakPolarHBondContact CB-OD2 3.32Å; H26-D29 IonicContact CG-OD2 3.98Å; H26-D29 PolarHBondContact N-OD2 2.96Å; H26-D29 IonicContact ND1-OD2 3.65Å; H26-D29 VanDerWaalsContact O-CB 3.28Å; H26-D29 WeakPolarHBondContact O-CB 3.33Å; H26-D29 VanDerWaalsContact O-CG 3.31Å; H26-D29 PolarHBondContact O-N 3.34Å; D29-L31 HydrophobicContact CB-CD2 4.48Å; D29-H47 WeakPolarHBondContact CB-NE2 3.27Å; D29-H47 IonicContact OD2-CE1 2.68Å; D29-H47 IonicContact OD2-NE2 3.94Å; D29-H47 PolarHBondContact OD2-NE2 3.44Å | ||
| 30 | I | 89.7 | Confident | 88.4 | Confident | 26 Ų | 26 | 62.5 Ų | 62.5 | 13% | 0.133 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 124.2 | 179.8 | -50.7 | -57.4 | 0 | 0 | 0 | 108.9 | Q8 C9 V10 N48 | Q8-I30 HydrophobicContact CB-CG2 4.26Å; Q8-I30 HydrophobicContact CG-CG2 4.42Å; C9-I30 WeakPolarHBondContact O-CA 3.3Å; V10-I30 HydrophobicContact CB-CD1 4.4Å; V10-I30 HydrophobicContact CG1-CD1 4.32Å; V10-I30 HydrophobicContact CG2-CD1 3.81Å; I30-N48 HydrophobicContact CB-CB 4.25Å; I30-N48 HydrophobicContact CG2-CB 4.41Å; I30-N48 VanDerWaalsContact O-CB 3.26Å; I30-N48 WeakPolarHBondContact O-CB 2.98Å; I30-N48 PolarHBondContact O-N 2.68Å; I30-N48 PolarHBondContact O-OD1 3.28Å |
| 31 | L | 92.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 134.8 | -177 | -48.1 | 177.3 | 0 | 0 | 0 | 108.7 | Q8 C9 L23 Y25 D29 A45 R46 H47 I56 V61 | Q8-L31 CarbonylContact C-O 3.57Å; Q8-L31 WeakPolarHBondContact CA-O 3.37Å; C9-L31 PolarHBondContact N-O 3.02Å; C9-L31 PolarHBondContact O-N 2.7Å; L23-L31 HydrophobicContact CD2-CD2 3.91Å; Y25-L31 HydrophobicContact CD1-CD1 3.84Å; Y25-L31 HydrophobicContact CD2-CD1 4.42Å; Y25-L31 HydrophobicContact CE1-CD1 4.19Å; Y25-L31 HydrophobicContact CG-CD1 3.98Å; D29-L31 HydrophobicContact CB-CD2 4.48Å; L31-A45 HydrophobicContact CB-CB 4.35Å; L31-R46 CarbonylContact C-O 3.56Å; L31-R46 WeakPolarHBondContact CA-O 3.19Å; L31-H47 HydrophobicContact CD2-CB 4.22Å; L31-I56 HydrophobicContact CB-CD1 4.43Å; L31-I56 HydrophobicContact CD1-CD1 4.22Å; L31-I56 HydrophobicContact CD1-CG2 3.9Å; L31-V61 HydrophobicContact CD1-CG1 3.97Å |
| 32 | T | 91.9 | Very high | 88.7 | Confident | 16 Ų | 16 | 56.6 Ų | 56.6 | 10% | 0.098 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 124.3 | 178.2 | -61.4 | 0 | 0 | 0 | 0 | 109.7 | V34 A45 R46 N48 | T32-V34 PolarHBondContact O-N 3.32Å; T32-A45 CarbonylContact O-C 3.46Å; T32-A45 WeakPolarHBondContact O-CA 3.37Å; T32-A45 WeakPolarHBondContact O-CB 3.41Å; T32-R46 PolarHBondContact N-O 2.96Å; T32-R46 PolarHBondContact O-N 3.15Å; T32-N48 WeakPolarHBondContact CB-OD1 3.33Å; T32-N48 PolarHBondContact N-OD1 3.01Å; T32-N48 VanDerWaalsContact N-OD1 3.16Å; T32-N48 VanDerWaalsContact OG1-CG 3.28Å; T32-N48 PolarHBondContact OG1-ND2 3.21Å; T32-N48 VanDerWaalsContact OG1-ND2 3.12Å; T32-N48 PolarHBondContact OG1-OD1 2.81Å |
| 33 | I | 92.7 | Very high | 88.7 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 125.6 | 174.4 | -55.3 | -55.3 | 0 | 0 | 0 | 108.9 | W3 G6 T7 T36 Y43 A45 I56 | W3-I33 HydrophobicContact CB-CG1 4.11Å; W3-I33 HydrophobicContact CE3-CD1 4.02Å; W3-I33 HydrophobicContact CE3-CG1 4.34Å; G6-I33 PolarHBondContact N-O 3.07Å; T7-I33 WeakPolarHBondContact O-CG1 3.39Å; T7-I33 PolarHBondContact O-N 2.81Å; I33-T36 HydrophobicContact CG2-CG2 4.03Å; I33-Y43 HydrophobicContact CD1-CD1 4.26Å; I33-Y43 HydrophobicContact CD1-CG 3.92Å; I33-Y43 HydrophobicContact CG2-CD1 3.8Å; I33-Y43 HydrophobicContact CG2-CG 4.43Å; I33-A45 HydrophobicContact CD1-CB 4.37Å; I33-I56 HydrophobicContact CD1-CD1 3.84Å |
| 34 | V | 92.5 | Very high | 88.7 | Confident | 46 Ų | 46 | 56.6 Ų | 56.6 | 28% | 0.279 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | -43.7 | 178.5 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | P5 T32 A44 R46 | P5-V34 WeakPolarHBondContact CB-O 3.47Å; T32-V34 PolarHBondContact O-N 3.32Å; V34-A44 PolarHBondContact N-O 2.92Å; V34-R46 HydrophobicContact CG2-CB 3.79Å |
| 35 | D | 88.5 | Confident | 88.8 | Confident | 58 Ų | 58 | 52.4 Ų | 52.4 | 31% | 0.31 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 145.7 | -179.5 | -176.8 | 23.6 | 0 | 0 | 0 | 111.3 | S37 A44 | D35-S37 VanDerWaalsContact CG-OG 3.31Å; D35-S37 WeakPolarHBondContact OD1-CB 3.27Å; D35-S37 PolarHBondContact OD1-N 2.86Å; D35-S37 PolarHBondContact OD1-OG 2.85Å; D35-S37 PolarHBondContact OD2-OG 3.27Å; D35-A44 HydrophobicContact CB-CB 3.98Å; D35-A44 PolarHBondContact N-O 2.84Å; D35-A44 PolarHBondContact O-N 3.04Å; D35-A44 VanDerWaalsContact O-N 3.07Å |
| 36 | T | 85.4 | Confident | 88.9 | Confident | 62 Ų | 62 | 56.9 Ų | 56.9 | 38% | 0.38 | 30% | 0.296 | S | S | . | . | trans | -110.2 | -8.6 | -177.6 | 65.9 | 0 | 0 | 0 | 0 | 111.7 | W3 P5 I33 T38 Y43 | W3-T36 WeakPolarHBondContact O-CG2 3.28Å; P5-T36 HydrophobicContact CG-CG2 4.25Å; I33-T36 HydrophobicContact CG2-CG2 4.03Å; T36-T38 PolarHBondContact O-N 2.9Å; T36-Y43 HydrophobicContact CG2-CD1 4.08Å; T36-Y43 HydrophobicContact CG2-CE1 3.96Å | ||
| 37 | S | 79.3 | Confident | 89 | Confident | 98 Ų | 98 | 52.8 Ų | 52.8 | 69% | 0.685 | 28% | 0.277 | S | S | * | . | trans | -76.2 | 27.7 | -179.1 | 83.9 | 0 | 0 | 0 | 0 | 114.2 | D35 | D35-S37 VanDerWaalsContact CG-OG 3.31Å; D35-S37 WeakPolarHBondContact OD1-CB 3.27Å; D35-S37 PolarHBondContact OD1-N 2.86Å; D35-S37 PolarHBondContact OD1-OG 2.85Å; D35-S37 PolarHBondContact OD2-OG 3.27Å | ||
| 38 | T | 79.3 | Confident | 88.7 | Confident | 40 Ų | 40 | 46.7 Ų | 46.7 | 25% | 0.245 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -97.6 | 173.2 | -177 | 50.4 | 0 | 0 | 0 | 0 | 112.7 | T36 F42 Y43 A44 L55 | T36-T38 PolarHBondContact O-N 2.9Å; T38-F42 VanDerWaalsContact OG1-C 3.23Å; T38-F42 PolarHBondContact OG1-O 2.81Å; T38-Y43 VanDerWaalsContact OG1-CA 3.3Å; T38-Y43 WeakPolarHBondContact OG1-CA 3.33Å; T38-A44 HydrophobicContact CG2-CB 4.14Å; T38-L55 HydrophobicContact CG2-CD2 3.64Å |
| 39 | R | 85.1 | Confident | 88.7 | Confident | 141 Ų | 141 | 47.1 Ų | 47.1 | 53% | 0.532 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -55.1 | 147.5 | 175.3 | 68.1 | -177.5 | -178.3 | -163.8 | -3.8 | 111.7 | E22 G41 F42 | E22-R39 IonicContact OE1-NH2 3.96Å; E22-R39 PolarHBondContact OE1-NH2 3.03Å; R39-G41 PolarHBondContact O-N 3.49Å; R39-F42 HydrophobicContact CG-CB 3.9Å; R39-F42 HydrophobicContact CG-CD2 3.78Å; R39-F42 HydrophobicContact CG-CG 4.03Å; R39-F42 PolarHBondContact O-N 3.05Å |
| 40 | K | 84.3 | Confident | 88.5 | Confident | 213 Ų | 213 | 50.2 Ų | 50.2 | 93% | 0.926 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | 127.2 | -177.3 | -171.6 | 176.1 | -178.8 | 178.5 | 0 | 111.8 | F42 | K40-F42 VanDerWaalsContact C-N 3.32Š|
| 41 | G | 86.8 | Confident | 88.3 | Confident | 30 Ų | 30 | 56.1 Ų | 56.1 | 31% | 0.309 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | -3.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R39 N57 S58 | R39-G41 PolarHBondContact O-N 3.49Å; G41-N57 PolarHBondContact O-OD1 2.83Å; G41-S58 WeakPolarHBondContact O-CB 3.39Å; G41-S58 PolarHBondContact O-N 2.85Å; G41-S58 PolarHBondContact O-OG 3.43Å |
| 42 | F | 91.9 | Very high | 88.2 | Confident | 36 Ų | 36 | 61.2 Ų | 61.2 | 16% | 0.158 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 158.4 | 171.6 | -73.1 | -102.2 | 0 | 0 | 0 | 111 | T38 R39 K40 L55 I56 N57 | T38-F42 VanDerWaalsContact OG1-C 3.23Å; T38-F42 PolarHBondContact OG1-O 2.81Å; R39-F42 HydrophobicContact CG-CB 3.9Å; R39-F42 HydrophobicContact CG-CD2 3.78Å; R39-F42 HydrophobicContact CG-CG 4.03Å; R39-F42 PolarHBondContact O-N 3.05Å; K40-F42 VanDerWaalsContact C-N 3.32Å; F42-L55 HydrophobicContact CD1-CB 4.25Å; F42-I56 CarbonylContact C-O 3.59Å; F42-I56 WeakPolarHBondContact CA-O 3.24Å; F42-I56 WeakPolarHBondContact CD1-O 3.37Å; F42-N57 HydrophobicContact CD1-CB 4.34Å; F42-N57 HydrophobicContact CE1-CB 3.94Å; F42-N57 HydrophobicContact CZ-CB 4.15Å |
| 43 | Y | 93.4 | Very high | 88.3 | Confident | 18 Ų | 18 | 66 Ų | 66 | 7% | 0.071 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 148.2 | 170.7 | -70.4 | -89.9 | 0 | 0 | 0 | 109.2 | M1 N2 W3 I33 T36 T38 L55 I56 | M1-Y43 PolarHBondContact O-OH 2.97Å; N2-Y43 WeakPolarHBondContact CA-OH 3.34Å; W3-Y43 HydrophobicContact CB-CE1 4.11Å; W3-Y43 HydrophobicContact CD2-CE2 4.36Å; W3-Y43 AromaticContact CE3-CD2 3.73Å; W3-Y43 HydrophobicContact CE3-CD2 3.73Å; W3-Y43 HydrophobicContact CE3-CE1 4.42Å; W3-Y43 AromaticContact CE3-CE2 3.46Å; W3-Y43 HydrophobicContact CE3-CE2 3.46Å; W3-Y43 VanDerWaalsContact CE3-CE2 3.46Å; W3-Y43 HydrophobicContact CE3-CG 4.33Å; W3-Y43 AromaticContact CE3-CZ 3.84Å; W3-Y43 AromaticContact CZ3-CD2 3.94Å; W3-Y43 HydrophobicContact CZ3-CD2 3.94Å; W3-Y43 AromaticContact CZ3-CE2 3.8Å; W3-Y43 HydrophobicContact CZ3-CE2 3.8Å; W3-Y43 PolarHBondContact N-OH 2.84Å; W3-Y43 VanDerWaalsContact N-OH 3.16Å; I33-Y43 HydrophobicContact CD1-CD1 4.26Å; I33-Y43 HydrophobicContact CD1-CG 3.92Å; I33-Y43 HydrophobicContact CG2-CD1 3.8Å; I33-Y43 HydrophobicContact CG2-CG 4.43Å; T36-Y43 HydrophobicContact CG2-CD1 4.08Å; T36-Y43 HydrophobicContact CG2-CE1 3.96Å; T38-Y43 VanDerWaalsContact OG1-CA 3.3Å; T38-Y43 WeakPolarHBondContact OG1-CA 3.33Å; Y43-L55 CarbonylContact O-C 3.6Å; Y43-L55 WeakPolarHBondContact O-CA 3.42Å; Y43-I56 PolarHBondContact N-O 2.89Å; Y43-I56 PolarHBondContact O-N 3.24Å |
| 44 | A | 94.3 | Very high | 88.4 | Confident | 23 Ų | 23 | 66.7 Ų | 66.7 | 19% | 0.19 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 129 | 161.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | V34 D35 T38 L55 | V34-A44 PolarHBondContact N-O 2.92Å; D35-A44 HydrophobicContact CB-CB 3.98Å; D35-A44 PolarHBondContact N-O 2.84Å; D35-A44 PolarHBondContact O-N 3.04Å; D35-A44 VanDerWaalsContact O-N 3.07Å; T38-A44 HydrophobicContact CG2-CB 4.14Å; A44-L55 HydrophobicContact CB-CD2 4.46Å |
| 45 | A | 94.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 155.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L31 T32 I33 E53 G54 I56 | L31-A45 HydrophobicContact CB-CB 4.35Å; T32-A45 CarbonylContact O-C 3.46Å; T32-A45 WeakPolarHBondContact O-CA 3.37Å; T32-A45 WeakPolarHBondContact O-CB 3.41Å; I33-A45 HydrophobicContact CD1-CB 4.37Å; A45-E53 CarbonylContact O-C 3.6Å; A45-E53 WeakPolarHBondContact O-CA 3.47Å; A45-G54 PolarHBondContact N-O 3Å; A45-G54 PolarHBondContact O-N 3.48Å; A45-G54 VanDerWaalsContact O-O 3.09Å; A45-I56 HydrophobicContact CB-CB 4.46Å; A45-I56 HydrophobicContact CB-CD1 3.49Å; A45-I56 VanDerWaalsContact CB-CD1 3.49Å; A45-I56 HydrophobicContact CB-CG1 3.69Å; A45-I56 HydrophobicContact CB-CG2 3.93Å |
| 46 | R | 94.3 | Very high | 88.8 | Confident | 98 Ų | 98 | 64 Ų | 64 | 37% | 0.37 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 136.3 | 172.9 | -166.4 | -176.7 | -43.9 | 141.5 | 12.4 | 110.1 | L31 T32 V34 N48 E51 E52 E53 | L31-R46 CarbonylContact C-O 3.56Å; L31-R46 WeakPolarHBondContact CA-O 3.19Å; T32-R46 PolarHBondContact N-O 2.96Å; T32-R46 PolarHBondContact O-N 3.15Å; V34-R46 HydrophobicContact CG2-CB 3.79Å; R46-N48 PolarHBondContact O-OD1 3.22Å; R46-E51 VanDerWaalsContact CG-O 3.31Å; R46-E51 WeakPolarHBondContact CG-O 3.16Å; R46-E52 CarbonylContact C-O 3.51Å; R46-E52 VanDerWaalsContact CA-O 3.3Å; R46-E52 WeakPolarHBondContact CA-O 3.42Å; R46-E53 HydrophobicContact CB-CG 3.83Å; R46-E53 HydrophobicContact CG-CG 3.72Å; R46-E53 IonicContact CZ-OE1 3.77Å; R46-E53 IonicContact NE-OE1 3.95Å; R46-E53 PolarHBondContact NE-OE1 3.39Å; R46-E53 IonicContact NH2-OE1 3.78Å; R46-E53 PolarHBondContact NH2-OE1 3.02Å; R46-E53 VanDerWaalsContact NH2-OE1 3.11Å |
| 47 | H | 92.4 | Very high | 89.2 | Confident | 11 Ų | 11 | 63.1 Ų | 63.1 | 5% | 0.051 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 124.9 | 170.1 | -165.5 | -72.4 | 0 | 0 | 0 | 110.1 | L23 D29 L31 T49 T50 E51 E52 | L23-H47 HydrophobicContact CD1-CB 4.34Å; L23-H47 HydrophobicContact CD2-CB 4.1Å; D29-H47 WeakPolarHBondContact CB-NE2 3.27Å; D29-H47 IonicContact OD2-CE1 2.68Å; D29-H47 IonicContact OD2-NE2 3.94Å; D29-H47 PolarHBondContact OD2-NE2 3.44Å; L31-H47 HydrophobicContact CD2-CB 4.22Å; H47-T49 PolarHBondContact ND1-N 3.27Å; H47-T49 PolarHBondContact O-N 3.31Å; H47-T50 VanDerWaalsContact CB-OG1 3.25Å; H47-T50 WeakPolarHBondContact CB-OG1 3.19Å; H47-T50 PolarHBondContact ND1-N 3.28Å; H47-E51 WeakPolarHBondContact O-CA 3.04Å; H47-E51 PolarHBondContact O-N 2.87Å; H47-E52 PolarHBondContact N-O 2.95Å |
| 48 | N | 83.6 | Confident | 89.7 | Confident | 14 Ų | 14 | 60.1 Ų | 60.1 | 8% | 0.075 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -12.7 | -171.1 | -74.3 | 30.7 | 0 | 0 | 0 | 115.1 | Q8 I30 T32 R46 R246 | Q8-N48 PolarHBondContact NE2-ND2 2.98Å; I30-N48 HydrophobicContact CB-CB 4.25Å; I30-N48 HydrophobicContact CG2-CB 4.41Å; I30-N48 VanDerWaalsContact O-CB 3.26Å; I30-N48 WeakPolarHBondContact O-CB 2.98Å; I30-N48 PolarHBondContact O-N 2.68Å; I30-N48 PolarHBondContact O-OD1 3.28Å; T32-N48 WeakPolarHBondContact CB-OD1 3.33Å; T32-N48 PolarHBondContact N-OD1 3.01Å; T32-N48 VanDerWaalsContact N-OD1 3.16Å; T32-N48 VanDerWaalsContact OG1-CG 3.28Å; T32-N48 PolarHBondContact OG1-ND2 3.21Å; T32-N48 VanDerWaalsContact OG1-ND2 3.12Å; T32-N48 PolarHBondContact OG1-OD1 2.81Å; R46-N48 PolarHBondContact O-OD1 3.22Å; N48-R246 PolarHBondContact ND2-NH1 2.88Å |
| 49 | T | 80.6 | Confident | 90.3 | Very high | 48 Ų | 48 | 61.5 Ų | 61.5 | 29% | 0.294 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -50.9 | 178.5 | -51.2 | 0 | 0 | 0 | 0 | 112.5 | H47 Q213 | H47-T49 PolarHBondContact ND1-N 3.27Å; H47-T49 PolarHBondContact O-N 3.31Å; T49-Q213 HydrophobicContact CG2-CB 3.75Å; T49-Q213 PolarHBondContact OG1-OE1 3.17Å |
| 50 | T | 84.2 | Confident | 90.7 | Very high | 76 Ų | 76 | 57.1 Ų | 57.1 | 47% | 0.466 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -10.7 | -177.7 | 62.5 | 0 | 0 | 0 | 0 | 113.4 | H47 E52 | H47-T50 VanDerWaalsContact CB-OG1 3.25Å; H47-T50 WeakPolarHBondContact CB-OG1 3.19Å; H47-T50 PolarHBondContact ND1-N 3.28Å; T50-E52 PolarHBondContact O-N 2.75Å |
| 51 | E | 85.3 | Confident | 91.1 | Very high | 150 Ų | 150 | 47.1 Ų | 47.1 | 70% | 0.701 | 26% | 0.256 | S | S | * | . | trans | 61.2 | 3.5 | -174.8 | -53.1 | -165 | 153.4 | 0 | 0 | 115.4 | R46 H47 | R46-E51 VanDerWaalsContact CG-O 3.31Å; R46-E51 WeakPolarHBondContact CG-O 3.16Å; H47-E51 WeakPolarHBondContact O-CA 3.04Å; H47-E51 PolarHBondContact O-N 2.87Å | ||
| 52 | E | 91.1 | Very high | 91.3 | Very high | 107 Ų | 107 | 49.7 Ų | 49.7 | 50% | 0.5 | 26% | 0.256 | S | S | . | . | trans | -64.4 | 140.4 | 175.5 | -67.1 | -176.3 | 162.4 | 0 | 0 | 111.3 | L23 R46 H47 T50 | L23-E52 HydrophobicContact CD1-CB 3.82Å; L23-E52 WeakPolarHBondContact CD1-O 3.28Å; R46-E52 CarbonylContact C-O 3.51Å; R46-E52 VanDerWaalsContact CA-O 3.3Å; R46-E52 WeakPolarHBondContact CA-O 3.42Å; H47-E52 PolarHBondContact N-O 2.95Å; T50-E52 PolarHBondContact O-N 2.75Å | ||
| 53 | E | 94.6 | Very high | 91.2 | Very high | 116 Ų | 116 | 52.1 Ų | 52.1 | 54% | 0.542 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 142.7 | 176.2 | -65.4 | -166.6 | 167.5 | 0 | 0 | 111.3 | A45 R46 | A45-E53 CarbonylContact O-C 3.6Å; A45-E53 WeakPolarHBondContact O-CA 3.47Å; R46-E53 HydrophobicContact CB-CG 3.83Å; R46-E53 HydrophobicContact CG-CG 3.72Å; R46-E53 IonicContact CZ-OE1 3.77Å; R46-E53 IonicContact NE-OE1 3.95Å; R46-E53 PolarHBondContact NE-OE1 3.39Å; R46-E53 IonicContact NH2-OE1 3.78Å; R46-E53 PolarHBondContact NH2-OE1 3.02Å; R46-E53 VanDerWaalsContact NH2-OE1 3.11Å |
| 54 | G | 94.6 | Very high | 91 | Very high | 15 Ų | 15 | 51.8 Ų | 51.8 | 16% | 0.155 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.3 | 177.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A45 | A45-G54 PolarHBondContact N-O 3Å; A45-G54 PolarHBondContact O-N 3.48Å; A45-G54 VanDerWaalsContact O-O 3.09Å |
| 55 | L | 94.7 | Very high | 90.6 | Very high | 46 Ų | 46 | 55.1 Ų | 55.1 | 24% | 0.241 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 137.3 | 179.3 | -66.5 | 173.9 | 0 | 0 | 0 | 111.6 | G21 E22 L23 T38 F42 Y43 A44 | G21-L55 WeakPolarHBondContact O-CB 3.42Å; G21-L55 PolarHBondContact O-N 3.02Å; E22-L55 VanDerWaalsContact CA-O 3.31Å; E22-L55 WeakPolarHBondContact CA-O 3.43Å; E22-L55 HydrophobicContact CG-CB 4.24Å; L23-L55 PolarHBondContact N-O 3.33Å; T38-L55 HydrophobicContact CG2-CD2 3.64Å; F42-L55 HydrophobicContact CD1-CB 4.25Å; Y43-L55 CarbonylContact O-C 3.6Å; Y43-L55 WeakPolarHBondContact O-CA 3.42Å; A44-L55 HydrophobicContact CB-CD2 4.46Å |
| 56 | I | 94.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 145.1 | 173.8 | 64.3 | 165.2 | 0 | 0 | 0 | 110.2 | L23 Y25 L31 I33 F42 Y43 A45 V61 | L23-I56 HydrophobicContact CB-CG2 3.9Å; L23-I56 HydrophobicContact CD2-CG2 3.99Å; Y25-I56 HydrophobicContact CD1-CG2 4.36Å; Y25-I56 HydrophobicContact CE1-CB 4.47Å; Y25-I56 HydrophobicContact CE1-CG2 3.91Å; L31-I56 HydrophobicContact CB-CD1 4.43Å; L31-I56 HydrophobicContact CD1-CD1 4.22Å; L31-I56 HydrophobicContact CD1-CG2 3.9Å; I33-I56 HydrophobicContact CD1-CD1 3.84Å; F42-I56 CarbonylContact C-O 3.59Å; F42-I56 WeakPolarHBondContact CA-O 3.24Å; F42-I56 WeakPolarHBondContact CD1-O 3.37Å; Y43-I56 PolarHBondContact N-O 2.89Å; Y43-I56 PolarHBondContact O-N 3.24Å; A45-I56 HydrophobicContact CB-CB 4.46Å; A45-I56 HydrophobicContact CB-CD1 3.49Å; A45-I56 VanDerWaalsContact CB-CD1 3.49Å; A45-I56 HydrophobicContact CB-CG1 3.69Å; A45-I56 HydrophobicContact CB-CG2 3.93Å; I56-V61 HydrophobicContact CD1-CG1 4.13Å; I56-V61 HydrophobicContact CD1-CG2 4.05Å |
| 57 | N | 93.2 | Very high | 89.5 | Confident | 45 Ų | 45 | 52.4 Ų | 52.4 | 24% | 0.241 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 124.5 | 173.2 | -169.1 | -28.7 | 0 | 0 | 0 | 109.7 | G41 F42 S59 N60 | G41-N57 PolarHBondContact O-OD1 2.83Å; F42-N57 HydrophobicContact CD1-CB 4.34Å; F42-N57 HydrophobicContact CE1-CB 3.94Å; F42-N57 HydrophobicContact CZ-CB 4.15Å; N57-S59 PolarHBondContact O-N 3.4Å; N57-S59 VanDerWaalsContact O-N 3.15Å; N57-S59 PolarHBondContact OD1-N 2.66Å; N57-S59 PolarHBondContact OD1-OG 2.94Å; N57-N60 PolarHBondContact O-N 2.84Å |
| 58 | S | 91.3 | Very high | 88.5 | Confident | 35 Ų | 35 | 61.2 Ų | 61.2 | 25% | 0.245 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -56.5 | -28.9 | 178.7 | 62.5 | 0 | 0 | 0 | 0 | 113.8 | G41 N60 V61 | G41-S58 WeakPolarHBondContact O-CB 3.39Å; G41-S58 PolarHBondContact O-N 2.85Å; G41-S58 PolarHBondContact O-OG 3.43Å; S58-N60 VanDerWaalsContact C-N 3.28Å; S58-N60 PolarHBondContact O-N 2.92Å; S58-V61 VanDerWaalsContact O-O 3.14Å |
| 59 | S | 91.9 | Very high | 87.6 | Confident | 68 Ų | 68 | 65.3 Ų | 65.3 | 48% | 0.476 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -73.1 | -18.7 | 176.9 | 67.5 | 0 | 0 | 0 | 0 | 113.5 | K12 N57 | K12-S59 WeakPolarHBondContact CE-O 3.46Å; K12-S59 PolarHBondContact NZ-O 3.38Å; N57-S59 PolarHBondContact O-N 3.4Å; N57-S59 VanDerWaalsContact O-N 3.15Å; N57-S59 PolarHBondContact OD1-N 2.66Å; N57-S59 PolarHBondContact OD1-OG 2.94Å |
| 60 | N | 93.3 | Very high | 86.9 | Confident | 49 Ų | 49 | 65.4 Ų | 65.4 | 26% | 0.262 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -93 | -8 | -179.7 | -69.7 | -10.4 | 0 | 0 | 0 | 112.9 | K12 N57 S58 | K12-N60 WeakPolarHBondContact CB-O 3.48Å; K12-N60 PolarHBondContact N-O 3.46Å; N57-N60 PolarHBondContact O-N 2.84Å; S58-N60 VanDerWaalsContact C-N 3.28Å; S58-N60 PolarHBondContact O-N 2.92Å |
| 61 | V | 92.6 | Very high | 86 | Confident | 3 Ų | 3 | 68.2 Ų | 68.2 | 2% | 0.018 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 170.8 | -180 | -58.9 | 0 | 0 | 0 | 0 | 110.6 | W3 C9 V10 K12 L31 I56 S58 | W3-V61 HydrophobicContact CH2-CG2 3.6Å; W3-V61 HydrophobicContact CZ3-CG2 3.53Å; C9-V61 HydrophobicContact CB-CB 3.96Å; C9-V61 HydrophobicContact CB-CG2 4.12Å; V10-V61 WeakPolarHBondContact O-CA 3.46Å; K12-V61 VanDerWaalsContact CE-O 3.27Å; K12-V61 WeakPolarHBondContact CE-O 3.35Å; K12-V61 PolarHBondContact NZ-O 2.81Å; L31-V61 HydrophobicContact CD1-CG1 3.97Å; I56-V61 HydrophobicContact CD1-CG1 4.13Å; I56-V61 HydrophobicContact CD1-CG2 4.05Å; S58-V61 VanDerWaalsContact O-O 3.14Å |
| 62 | R | 91.3 | Very high | 85.1 | Confident | 84 Ų | 84 | 61.9 Ų | 61.9 | 32% | 0.317 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 153 | 170.2 | 63.4 | -175.1 | -177.3 | 96.6 | -8.2 | 108.7 | C9 V10 K12 R64 K181 | C9-R62 CarbonylContact C-O 3.53Å; C9-R62 WeakPolarHBondContact CA-O 3.32Å; C9-R62 WeakPolarHBondContact CB-O 3.44Å; V10-R62 HydrophobicContact CB-CG 4.21Å; V10-R62 PolarHBondContact N-O 3.47Å; V10-R62 PolarHBondContact O-N 3.23Å; K12-R62 HydrophobicContact CD-CB 4.28Å; K12-R62 HydrophobicContact CD-CG 4.49Å; K12-R62 HydrophobicContact CG-CG 4.29Å; R62-R64 PolarHBondContact O-N 3.01Å; R62-K181 PolarHBondContact NH1-O 3.28Å; R62-K181 PolarHBondContact NH2-O 3.08Å |
| 63 | E | 89.4 | Confident | 84.2 | Confident | 87 Ų | 87 | 58 Ų | 58 | 41% | 0.407 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 137.6 | 174.8 | -170.2 | 167.6 | 174 | 0 | 0 | 111.1 | W3 T7 E65 | W3-E63 PolarHBondContact NE1-OE2 3.46Å; T7-E63 HydrophobicContact CG2-CG 3.85Å; E63-E65 PolarHBondContact O-N 2.92Å |
| 64 | R | 89.1 | Confident | 83.3 | Confident | 12 Ų | 12 | 53.9 Ų | 53.9 | 5% | 0.045 | 29% | 0.294 | C | S | . | . | trans | -84.6 | 86.9 | 171 | -167.6 | -171.5 | -165 | -172.4 | 5 | 107.7 | Q8 V10 R62 T182 G183 W184 L248 | Q8-R64 HydrophobicContact CB-CB 3.98Å; Q8-R64 WeakPolarHBondContact O-CB 3.48Å; Q8-R64 PolarHBondContact O-N 2.95Å; V10-R64 HydrophobicContact CG2-CB 3.86Å; V10-R64 HydrophobicContact CG2-CG 3.88Å; R62-R64 PolarHBondContact O-N 3.01Å; R64-T182 WeakPolarHBondContact CG-O 3.48Å; R64-G183 PolarHBondContact NE-O 3.27Å; R64-G183 PolarHBondContact NH2-O 2.89Å; R64-W184 HydrophobicContact CG-CZ2 4.1Å; R64-L248 PolarHBondContact NH1-O 3.49Å; R64-L248 PolarHBondContact NH2-O 2.81Å | ||
| 65 | E | 85.5 | Confident | 82.4 | Confident | 93 Ų | 93 | 54.3 Ų | 54.3 | 44% | 0.435 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 140.2 | -175.1 | -63.7 | -175.9 | 170.8 | 0 | 0 | 111.7 | E63 T182 W184 | E63-E65 PolarHBondContact O-N 2.92Å; E65-T182 HydrophobicContact CB-CG2 4.46Å; E65-W184 PolarHBondContact O-NE1 3.09Å |
| 66 | A | 84.2 | Confident | 81.7 | Confident | 38 Ų | 38 | 52.7 Ų | 52.7 | 31% | 0.314 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 146.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | R68 T237 K238 | A66-R68 PolarHBondContact O-N 2.92Å; A66-T237 WeakPolarHBondContact CB-O 3.4Å; A66-K238 HydrophobicContact CB-CB 4.43Å; A66-K238 HydrophobicContact CB-CG 3.58Å |
| 67 | L | 82 | Confident | 81.2 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 126.2 | 175.6 | -72.1 | 165.7 | 0 | 0 | 0 | 109.8 | E178 L179 T182 T233 A234 T237 K238 | L67-E178 HydrophobicContact CD2-CG 4.12Å; L67-L179 HydrophobicContact CD1-CD2 3.45Å; L67-L179 VanDerWaalsContact CD1-CD2 3.45Å; L67-L179 HydrophobicContact CD2-CD2 4.04Å; L67-L179 HydrophobicContact CD2-CG 4.48Å; L67-L179 HydrophobicContact CG-CD2 4.25Å; L67-T182 HydrophobicContact CD2-CG2 4.49Å; L67-T233 HydrophobicContact CD1-CG2 3.68Å; L67-A234 HydrophobicContact CB-CB 4.18Å; L67-T237 HydrophobicContact CB-CG2 4.33Å; L67-T237 HydrophobicContact CD1-CG2 3.74Å; L67-T237 HydrophobicContact CG-CG2 3.95Å; L67-T237 PolarHBondContact N-OG1 3.28Å; L67-K238 VanDerWaalsContact O-CE 3.26Å; L67-K238 WeakPolarHBondContact O-CE 3.16Å |
| 68 | R | 71.4 | Confident | 81 | Confident | 197 Ų | 197 | 52.3 Ų | 52.3 | 74% | 0.743 | 28% | 0.282 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 136.3 | 169 | -62.3 | -174.6 | -174.7 | -167.1 | 1.9 | 108.1 | A66 D70 L73 | A66-R68 PolarHBondContact O-N 2.92Å; R68-D70 VanDerWaalsContact C-N 3.27Å; R68-D70 PolarHBondContact O-N 3.17Å; R68-L73 WeakPolarHBondContact O-CD1 3.26Å |
| 69 | V | 64.1 | Low | 80.8 | Confident | 100 Ų | 100 | 52.6 Ų | 52.6 | 61% | 0.606 | 28% | 0.279 | S | S | * | . | trans | -72.9 | 91.9 | 171.6 | 179.4 | 0 | 0 | 0 | 0 | 106.2 | A234 | V69-A234 HydrophobicContact CG2-CB 3.93Š| ||
| 70 | D | 67.6 | Low | 80.7 | Confident | 50 Ų | 50 | 49.9 Ų | 49.9 | 27% | 0.267 | 26% | 0.258 | S | S | . | . | trans | -104.7 | 115 | 175.8 | -175.1 | -18.1 | 0 | 0 | 0 | 107.7 | R68 G72 L73 K173 | R68-D70 VanDerWaalsContact C-N 3.27Å; R68-D70 PolarHBondContact O-N 3.17Å; D70-G72 PolarHBondContact O-N 3.44Å; D70-G72 WeakPolarHBondContact OD1-CA 3.43Å; D70-G72 PolarHBondContact OD1-N 3.41Å; D70-L73 HydrophobicContact CB-CB 4.5Å; D70-L73 HydrophobicContact CB-CD1 3.73Å; D70-L73 HydrophobicContact CB-CG 3.89Å; D70-L73 WeakPolarHBondContact O-CB 3.21Å; D70-L73 PolarHBondContact O-N 3.11Å; D70-K173 WeakPolarHBondContact OD2-CD 3.29Å; D70-K173 WeakPolarHBondContact OD2-CE 3.4Å; D70-K173 IonicContact OD2-NZ 3.07Å; D70-K173 PolarHBondContact OD2-NZ 3.45Å | ||
| 71 | P | 65.1 | Low | 80.3 | Confident | 134 Ų | 134 | 47.9 Ų | 47.9 | 87% | 0.87 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -17.8 | 176.2 | -23 | 33 | 0 | 0 | 0 | 113.9 | ||
| 72 | G | 65.6 | Low | 80 | Confident | 17 Ų | 17 | 55.8 Ų | 55.8 | 18% | 0.175 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -13.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | D70 S74 A172 K173 | D70-G72 PolarHBondContact O-N 3.44Å; D70-G72 WeakPolarHBondContact OD1-CA 3.43Å; D70-G72 PolarHBondContact OD1-N 3.41Å; G72-S74 PolarHBondContact O-N 2.8Å; G72-A172 CarbonylContact O-C 3.55Å; G72-A172 VanDerWaalsContact O-CA 3.29Å; G72-A172 WeakPolarHBondContact O-CA 3.3Å; G72-K173 PolarHBondContact O-N 2.85Å |
| 73 | L | 71.4 | Confident | 80.1 | Confident | 26 Ų | 26 | 53 Ų | 53 | 14% | 0.136 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 119.2 | 175.6 | -80.9 | 161.8 | 0 | 0 | 0 | 109.8 | R68 D70 K173 A175 E178 M230 | R68-L73 WeakPolarHBondContact O-CD1 3.26Å; D70-L73 HydrophobicContact CB-CB 4.5Å; D70-L73 HydrophobicContact CB-CD1 3.73Å; D70-L73 HydrophobicContact CB-CG 3.89Å; D70-L73 WeakPolarHBondContact O-CB 3.21Å; D70-L73 PolarHBondContact O-N 3.11Å; L73-K173 HydrophobicContact CD2-CB 4.4Å; L73-A175 HydrophobicContact CB-CB 4.46Å; L73-A175 HydrophobicContact CD2-CB 4.24Å; L73-E178 HydrophobicContact CD2-CB 3.56Å; L73-E178 HydrophobicContact CD2-CG 3.96Å; L73-M230 HydrophobicContact CB-CE 4.34Å; L73-M230 HydrophobicContact CD1-CE 4.46Å |
| 74 | S | 76.2 | Confident | 80.4 | Confident | 30 Ų | 30 | 50.8 Ų | 50.8 | 21% | 0.21 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 131.2 | 178.2 | -174 | 0 | 0 | 0 | 0 | 110.8 | G72 M76 K173 A175 | G72-S74 PolarHBondContact O-N 2.8Å; S74-M76 PolarHBondContact OG-N 2.63Å; S74-M76 PolarHBondContact OG-O 3.16Å; S74-K173 PolarHBondContact N-O 3.35Å; S74-A175 PolarHBondContact O-N 2.82Å |
| 75 | L | 77.1 | Confident | 80.6 | Confident | 23 Ų | 23 | 51 Ų | 51 | 12% | 0.12 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -73.2 | -19.6 | 165.5 | -71.3 | 167 | 0 | 0 | 0 | 111.7 | P77 A175 L179 A226 F229 M230 L252 L256 | L75-P77 WeakPolarHBondContact O-CD 3.31Å; L75-A175 HydrophobicContact CD2-CB 3.72Å; L75-A175 HydrophobicContact CG-CB 3.84Å; L75-L179 HydrophobicContact CD2-CD1 4.49Å; L75-A226 HydrophobicContact CB-CB 4.39Å; L75-A226 HydrophobicContact CD1-CB 4.03Å; L75-F229 HydrophobicContact CD1-CD1 3.58Å; L75-F229 HydrophobicContact CD1-CE1 3.86Å; L75-M230 HydrophobicContact CD1-CG 3.82Å; L75-M230 HydrophobicContact CD1-SD 3.93Å; L75-M230 HydrophobicContact CD2-SD 4.25Å; L75-M230 HydrophobicContact CG-CG 4.05Å; L75-M230 HydrophobicContact CG-SD 3.94Å; L75-L252 HydrophobicContact CD2-CD1 3.54Å; L75-L252 HydrophobicContact CD2-CD2 3.78Å; L75-L252 HydrophobicContact CD2-CG 4.33Å; L75-L256 HydrophobicContact CD1-CD1 3.94Å; L75-L256 HydrophobicContact CD1-CD2 3.84Å |
| 76 | M | 79.9 | Confident | 81.1 | Confident | 12 Ų | 12 | 51.5 Ų | 51.5 | 6% | 0.059 | 29% | 0.286 | C | S | . | . | trans | -122.8 | 73.5 | -179.4 | -60.3 | -177.7 | -69.5 | 0 | 0 | 108.9 | S74 W78 F79 L145 I146 A226 | S74-M76 PolarHBondContact OG-N 2.63Å; S74-M76 PolarHBondContact OG-O 3.16Å; M76-W78 HydrophobicContact CB-CD2 4.42Å; M76-W78 HydrophobicContact CB-CH2 3.91Å; M76-W78 HydrophobicContact CB-CZ2 3.88Å; M76-W78 HydrophobicContact CB-CZ3 4.27Å; M76-W78 HydrophobicContact CG-CH2 3.73Å; M76-W78 HydrophobicContact CG-CZ2 3.7Å; M76-W78 PolarHBondContact O-N 3.31Å; M76-W78 VanDerWaalsContact O-N 3.11Å; M76-W78 HydrophobicContact SD-CH2 3.58Å; M76-W78 VanDerWaalsContact SD-CH2 3.58Å; M76-W78 HydrophobicContact SD-CZ2 4.15Å; M76-W78 HydrophobicContact SD-CZ3 4.27Å; M76-F79 HydrophobicContact CB-CB 3.66Å; M76-F79 HydrophobicContact CE-CD1 4.37Å; M76-F79 HydrophobicContact CE-CG 4.45Å; M76-F79 WeakPolarHBondContact O-CB 3.34Å; M76-F79 PolarHBondContact O-N 2.88Å; M76-L145 HydrophobicContact SD-CB 4.39Å; M76-L145 HydrophobicContact SD-CD1 4.41Å; M76-I146 HydrophobicContact CG-CD1 4.2Å; M76-I146 HydrophobicContact CG-CG1 3.9Å; M76-I146 HydrophobicContact SD-CG1 4.32Å; M76-A226 HydrophobicContact CE-CB 3.9Å | ||
| 77 | P | 82.6 | Confident | 81.7 | Confident | 21 Ų | 21 | 52.8 Ų | 52.8 | 14% | 0.136 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -22.1 | -177.3 | 26 | -34.8 | 0 | 0 | 0 | 112.3 | L75 F79 K168 K169 | L75-P77 WeakPolarHBondContact O-CD 3.31Å; P77-F79 VanDerWaalsContact C-N 3.34Å; P77-K168 HydrophobicContact CB-CG 4.28Å; P77-K168 CarbonylContact O-C 3.54Å; P77-K168 VanDerWaalsContact O-CA 3.3Å; P77-K168 WeakPolarHBondContact O-CA 3.39Å; P77-K169 PolarHBondContact O-N 3Å |
| 78 | W | 89.2 | Confident | 82.3 | Confident | 18 Ų | 18 | 52.7 Ų | 52.7 | 7% | 0.068 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -2.9 | 174.4 | 46.2 | -103 | 0 | 0 | 0 | 114.1 | M76 H80 F100 L101 V102 L145 I146 I149 P166 | M76-W78 HydrophobicContact CB-CD2 4.42Å; M76-W78 HydrophobicContact CB-CH2 3.91Å; M76-W78 HydrophobicContact CB-CZ2 3.88Å; M76-W78 HydrophobicContact CB-CZ3 4.27Å; M76-W78 HydrophobicContact CG-CH2 3.73Å; M76-W78 HydrophobicContact CG-CZ2 3.7Å; M76-W78 PolarHBondContact O-N 3.31Å; M76-W78 VanDerWaalsContact O-N 3.11Å; M76-W78 HydrophobicContact SD-CH2 3.58Å; M76-W78 VanDerWaalsContact SD-CH2 3.58Å; M76-W78 HydrophobicContact SD-CZ2 4.15Å; M76-W78 HydrophobicContact SD-CZ3 4.27Å; W78-H80 PolarHBondContact O-CD2 2.98Å; W78-H80 VanDerWaalsContact O-CD2 3.31Å; W78-F100 HydrophobicContact CB-CD2 4.41Å; W78-F100 HydrophobicContact CB-CE2 3.79Å; W78-F100 HydrophobicContact CB-CZ 4.41Å; W78-F100 HydrophobicContact CD2-CE2 4.25Å; W78-F100 AromaticContact CG-CE2 3.77Å; W78-F100 HydrophobicContact CG-CE2 3.77Å; W78-F100 HydrophobicContact CG-CZ 4.32Å; W78-L101 WeakPolarHBondContact O-CA 3.44Å; W78-V102 HydrophobicContact CD2-CG2 4.5Å; W78-V102 HydrophobicContact CE3-CB 3.58Å; W78-V102 HydrophobicContact CE3-CG2 3.38Å; W78-V102 HydrophobicContact CZ3-CB 3.59Å; W78-V102 HydrophobicContact CZ3-CG1 4.2Å; W78-V102 HydrophobicContact CZ3-CG2 3.45Å; W78-V102 VanDerWaalsContact CZ3-CG2 3.45Å; W78-V102 PolarHBondContact O-N 2.83Å; W78-L145 HydrophobicContact CH2-CB 3.44Å; W78-L145 VanDerWaalsContact CH2-CB 3.44Å; W78-L145 HydrophobicContact CH2-CD1 4.34Å; W78-L145 HydrophobicContact CH2-CG 4.47Å; W78-L145 HydrophobicContact CZ2-CB 4.47Å; W78-L145 HydrophobicContact CZ3-CB 4.03Å; W78-L145 HydrophobicContact CZ3-CD1 4.26Å; W78-I146 HydrophobicContact CZ2-CG1 4.23Å; W78-I149 HydrophobicContact CD2-CG1 4.2Å; W78-I149 HydrophobicContact CE3-CG1 4.26Å; W78-I149 HydrophobicContact CH2-CG1 3.88Å; W78-I149 HydrophobicContact CZ2-CB 4.22Å; W78-I149 HydrophobicContact CZ2-CG1 3.73Å; W78-I149 HydrophobicContact CZ3-CG1 4.12Å; W78-P166 HydrophobicContact CB-CB 3.84Å; W78-P166 HydrophobicContact CG-CB 4.34Å |
| 79 | F | 88 | Confident | 83.6 | Confident | 40 Ų | 40 | 45.9 Ų | 45.9 | 18% | 0.175 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -92.3 | 116.2 | 177.4 | -176.9 | -109 | 0 | 0 | 0 | 111.1 | M76 P77 V102 E104 Y112 L145 | M76-F79 HydrophobicContact CB-CB 3.66Å; M76-F79 HydrophobicContact CE-CD1 4.37Å; M76-F79 HydrophobicContact CE-CG 4.45Å; M76-F79 WeakPolarHBondContact O-CB 3.34Å; M76-F79 PolarHBondContact O-N 2.88Å; P77-F79 VanDerWaalsContact C-N 3.34Å; F79-V102 WeakPolarHBondContact CA-O 3.33Å; F79-V102 HydrophobicContact CD2-CB 4.15Å; F79-V102 HydrophobicContact CD2-CG1 3.94Å; F79-V102 HydrophobicContact CE2-CG1 4.32Å; F79-E104 HydrophobicContact CE2-CG 4.35Å; F79-E104 HydrophobicContact CZ-CG 3.89Å; F79-Y112 AromaticContact CE2-CD1 3.77Å; F79-Y112 HydrophobicContact CE2-CD1 3.77Å; F79-Y112 AromaticContact CE2-CE1 3.84Å; F79-Y112 HydrophobicContact CE2-CE1 3.84Å; F79-Y112 HydrophobicContact CZ-CD1 4.36Å; F79-Y112 HydrophobicContact CZ-CE1 4.04Å; F79-L145 HydrophobicContact CD2-CD1 4.35Å; F79-L145 HydrophobicContact CE2-CD1 4.45Å |
| 80 | H | 89.1 | Confident | 85.1 | Confident | 11 Ų | 11 | 43.6 Ų | 43.6 | 5% | 0.051 | 27% | 0.267 | C | S | . | . | trans | -97.4 | -5.7 | -175.4 | -71.4 | -120.2 | 0 | 0 | 0 | 113.2 | W78 I83 K91 V102 R167 | W78-H80 PolarHBondContact O-CD2 2.98Å; W78-H80 VanDerWaalsContact O-CD2 3.31Å; H80-I83 HydrophobicContact CB-CD1 3.59Å; H80-I83 HydrophobicContact CB-CG1 3.99Å; H80-I83 HydrophobicContact CB-CG2 4.23Å; H80-K91 WeakPolarHBondContact ND1-CD 3.42Å; H80-V102 PolarHBondContact N-O 3.03Å; H80-R167 PolarHBondContact NE2-O 3.37Å | ||
| 81 | G | 85.4 | Confident | 86.4 | Confident | 8 Ų | 8 | 44.3 Ų | 44.3 | 8% | 0.082 | 27% | 0.267 | C | S | . | . | trans | 69.2 | -139.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I83 R103 E104 | G81-I83 PolarHBondContact O-N 3.09Å; G81-R103 WeakPolarHBondContact O-CA 3.22Å; G81-R103 WeakPolarHBondContact O-CB 3.44Å; G81-E104 PolarHBondContact O-N 2.81Å | ||
| 82 | K | 86.8 | Confident | 87.9 | Confident | 169 Ų | 169 | 37.9 Ų | 37.9 | 74% | 0.735 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -77.5 | 82.7 | -178.5 | -63.4 | -179.2 | -178.2 | 178.7 | 0 | 111.9 | E104 | K82-E104 WeakPolarHBondContact CE-OE2 3.4Å; K82-E104 HydrophobicContact CG-CB 4.19Å; K82-E104 HydrophobicContact CG-CG 4.37Å; K82-E104 WeakPolarHBondContact CG-OE2 3.45Å |
| 83 | I | 92.5 | Very high | 89.3 | Confident | 24 Ų | 24 | 40.8 Ų | 40.8 | 12% | 0.123 | 24% | 0.235 | C | C | . | . | trans | -117.8 | 152.1 | 168.3 | 63.4 | 165.6 | 0 | 0 | 0 | 110.9 | H80 G81 T87 A88 K91 L101 R103 | H80-I83 HydrophobicContact CB-CD1 3.59Å; H80-I83 HydrophobicContact CB-CG1 3.99Å; H80-I83 HydrophobicContact CB-CG2 4.23Å; G81-I83 PolarHBondContact O-N 3.09Å; I83-T87 HydrophobicContact CB-CG2 4.18Å; I83-T87 HydrophobicContact CG2-CG2 4.45Å; I83-A88 HydrophobicContact CD1-CB 3.88Å; I83-K91 HydrophobicContact CD1-CD 4.19Å; I83-L101 HydrophobicContact CD1-CD1 4.04Å; I83-L101 HydrophobicContact CD1-CD2 4.42Å; I83-R103 HydrophobicContact CD1-CB 4.31Å; I83-R103 HydrophobicContact CG1-CB 3.63Å; I83-R103 HydrophobicContact CG1-CG 4.4Å; I83-R103 WeakPolarHBondContact O-CD 3.49Å | ||
| 84 | S | 94.9 | Very high | 90.4 | Very high | 41 Ų | 41 | 44.4 Ų | 44.4 | 29% | 0.287 | 26% | 0.26 | S | S | . | . | trans | -72.7 | 159.4 | 176.3 | 81.3 | 0 | 0 | 0 | 0 | 111.8 | P86 T87 A88 | S84-P86 WeakPolarHBondContact OG-CD 3.15Å; S84-T87 PolarHBondContact O-N 3.34Å; S84-T87 WeakPolarHBondContact OG-CB 3.46Å; S84-T87 PolarHBondContact OG-N 3.32Å; S84-T87 VanDerWaalsContact OG-N 3.07Å; S84-T87 PolarHBondContact OG-OG1 2.81Å; S84-A88 PolarHBondContact O-N 2.88Å | ||
| 85 | G | 94.1 | Very high | 91.3 | Very high | 16 Ų | 16 | 46 Ų | 46 | 17% | 0.165 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -53.3 | -52.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T87 A88 V89 | G85-T87 VanDerWaalsContact C-N 3.32Å; G85-T87 PolarHBondContact O-N 3.32Å; G85-A88 WeakPolarHBondContact O-CA 3.32Å; G85-A88 WeakPolarHBondContact O-CB 3.09Å; G85-A88 PolarHBondContact O-N 2.76Å; G85-V89 WeakPolarHBondContact O-CG2 3.3Å; G85-V89 PolarHBondContact O-N 2.77Å |
| 86 | P | 96.4 | Very high | 92.2 | Very high | 104 Ų | 104 | 49.4 Ų | 49.4 | 68% | 0.675 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -56.9 | -41.2 | 175.5 | -28.5 | 35.9 | 0 | 0 | 0 | 113.9 | S84 A88 V89 G90 | S84-P86 WeakPolarHBondContact OG-CD 3.15Å; P86-A88 VanDerWaalsContact C-N 3.3Å; P86-A88 PolarHBondContact O-N 2.78Å; P86-V89 PolarHBondContact O-N 2.71Å; P86-G90 PolarHBondContact O-N 2.61Å |
| 87 | T | 95.9 | Very high | 93.1 | Very high | 66 Ų | 66 | 52.7 Ų | 52.7 | 41% | 0.405 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.9 | -39 | 174.9 | -53.2 | 0 | 0 | 0 | 0 | 111.7 | I83 S84 G85 K91 | I83-T87 HydrophobicContact CB-CG2 4.18Å; I83-T87 HydrophobicContact CG2-CG2 4.45Å; S84-T87 PolarHBondContact O-N 3.34Å; S84-T87 WeakPolarHBondContact OG-CB 3.46Å; S84-T87 PolarHBondContact OG-N 3.32Å; S84-T87 VanDerWaalsContact OG-N 3.07Å; S84-T87 PolarHBondContact OG-OG1 2.81Å; G85-T87 VanDerWaalsContact C-N 3.32Å; G85-T87 PolarHBondContact O-N 3.32Å; T87-K91 HydrophobicContact CG2-CD 4.42Å; T87-K91 WeakPolarHBondContact O-CG 3.42Å; T87-K91 PolarHBondContact O-N 3.07Å |
| 88 | A | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I83 S84 G85 P86 G90 K91 L92 L101 C115 | I83-A88 HydrophobicContact CD1-CB 3.88Å; S84-A88 PolarHBondContact O-N 2.88Å; G85-A88 WeakPolarHBondContact O-CA 3.32Å; G85-A88 WeakPolarHBondContact O-CB 3.09Å; G85-A88 PolarHBondContact O-N 2.76Å; P86-A88 VanDerWaalsContact C-N 3.3Å; P86-A88 PolarHBondContact O-N 2.78Å; A88-G90 VanDerWaalsContact C-N 3.34Å; A88-G90 PolarHBondContact O-N 3.46Å; A88-K91 PolarHBondContact O-N 3.28Å; A88-K91 VanDerWaalsContact O-N 3.1Å; A88-L92 WeakPolarHBondContact O-CG 3.32Å; A88-L92 PolarHBondContact O-N 2.76Å; A88-L101 HydrophobicContact CB-CD1 3.92Å; A88-L101 HydrophobicContact CB-CD2 4.27Å; A88-C115 HydrophobicContact CB-CB 4.49Å |
| 89 | V | 97 | Very high | 94.2 | Very high | 53 Ų | 53 | 51.2 Ų | 51.2 | 32% | 0.321 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.8 | -47.4 | 176.1 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | G85 P86 K91 L92 V122 | G85-V89 WeakPolarHBondContact O-CG2 3.3Å; G85-V89 PolarHBondContact O-N 2.77Å; P86-V89 PolarHBondContact O-N 2.71Å; V89-K91 VanDerWaalsContact C-N 3.27Å; V89-K91 PolarHBondContact O-N 3.25Å; V89-L92 PolarHBondContact O-N 3.16Å; V89-L92 VanDerWaalsContact O-N 3.17Å; V89-V122 HydrophobicContact CG1-CG2 4.17Å; V89-V122 HydrophobicContact CG2-CB 4.03Å; V89-V122 HydrophobicContact CG2-CG1 4.05Å; V89-V122 HydrophobicContact CG2-CG2 4.38Å |
| 90 | G | 96.2 | Very high | 94.6 | Very high | 52 Ų | 52 | 49.5 Ų | 49.5 | 54% | 0.536 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.3 | -31.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | P86 A88 | P86-G90 PolarHBondContact O-N 2.61Å; A88-G90 VanDerWaalsContact C-N 3.34Å; A88-G90 PolarHBondContact O-N 3.46Å |
| 91 | K | 96 | Very high | 95 | Very high | 65 Ų | 65 | 49 Ų | 49 | 28% | 0.283 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -75.3 | -24.6 | 175.8 | -76.2 | -178.2 | -177.6 | -61.5 | 0 | 113.4 | H80 I83 T87 A88 V89 Q93 L101 R167 | H80-K91 WeakPolarHBondContact ND1-CD 3.42Å; I83-K91 HydrophobicContact CD1-CD 4.19Å; T87-K91 HydrophobicContact CG2-CD 4.42Å; T87-K91 WeakPolarHBondContact O-CG 3.42Å; T87-K91 PolarHBondContact O-N 3.07Å; A88-K91 PolarHBondContact O-N 3.28Å; A88-K91 VanDerWaalsContact O-N 3.1Å; V89-K91 VanDerWaalsContact C-N 3.27Å; V89-K91 PolarHBondContact O-N 3.25Å; K91-Q93 PolarHBondContact O-N 2.7Å; K91-L101 HydrophobicContact CB-CD2 3.95Å; K91-R167 WeakPolarHBondContact O-CD 3.39Å; K91-R167 WeakPolarHBondContact O-CG 3.21Å; K91-R167 PolarHBondContact O-NE 2.96Å |
| 92 | L | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 32.1 | 176.9 | -66.9 | 171.5 | 0 | 0 | 0 | 112.4 | A88 V89 L99 L101 C115 V122 R167 | A88-L92 WeakPolarHBondContact O-CG 3.32Å; A88-L92 PolarHBondContact O-N 2.76Å; V89-L92 PolarHBondContact O-N 3.16Å; V89-L92 VanDerWaalsContact O-N 3.17Å; L92-L99 HydrophobicContact CB-CD2 4.3Å; L92-L99 HydrophobicContact CD2-CD2 4.05Å; L92-L99 HydrophobicContact CD2-CG 3.75Å; L92-L101 HydrophobicContact CD1-CD2 4.48Å; L92-L101 HydrophobicContact CD1-CG 4.38Å; L92-L101 HydrophobicContact CD2-CD2 4.05Å; L92-L101 HydrophobicContact CD2-CG 4.17Å; L92-L101 HydrophobicContact CG-CD2 3.96Å; L92-L101 HydrophobicContact CG-CG 4.29Å; L92-C115 HydrophobicContact CD1-CB 3.77Å; L92-V122 HydrophobicContact CB-CG2 4.16Å; L92-V122 HydrophobicContact CD1-CG1 3.58Å; L92-V122 HydrophobicContact CD1-CG2 4.08Å; L92-R167 HydrophobicContact CD2-CB 3.97Å; L92-R167 HydrophobicContact CD2-CG 4.43Å |
| 93 | Q | 94.4 | Very high | 95.8 | Very high | 78 Ų | 78 | 41.8 Ų | 41.8 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | trans | -110.5 | 145.9 | 174.6 | -61.5 | -60.6 | -44.2 | 0 | 0 | 110.7 | K91 R167 | K91-Q93 PolarHBondContact O-N 2.7Å; Q93-R167 PolarHBondContact O-NH2 2.93Å | ||
| 94 | P | 95.1 | Very high | 95.7 | Very high | 102 Ų | 102 | 43.6 Ų | 43.6 | 66% | 0.662 | 26% | 0.259 | S | S | * | . | S | Bend | cis | -66.1 | 156.9 | -7.2 | 30.2 | -35.8 | 0 | 0 | 0 | 112.3 | Q96 | P94-Q96 PolarHBondContact O-N 2.91Š|
| 95 | P | 93.9 | Very high | 95.4 | Very high | 62 Ų | 62 | 42.2 Ų | 42.2 | 40% | 0.403 | 25% | 0.249 | S | C | . | . | trans | -65 | 132.3 | -177.1 | -16.8 | 31.2 | 0 | 0 | 0 | 110.5 | ||||
| 96 | Q | 97.2 | Very high | 95.1 | Very high | 96 Ų | 96 | 47 Ų | 47 | 45% | 0.449 | 27% | 0.269 | S | S | . | . | trans | -147.2 | 127.8 | 178.6 | 176.5 | -176.6 | 13.2 | 0 | 0 | 107.9 | P94 G98 L99 S117 | P94-Q96 PolarHBondContact O-N 2.91Å; Q96-G98 PolarHBondContact O-N 3.47Å; Q96-L99 HydrophobicContact CB-CB 4.02Å; Q96-L99 WeakPolarHBondContact O-CB 3.26Å; Q96-L99 PolarHBondContact O-N 3.29Å; Q96-S117 WeakPolarHBondContact O-CB 3.45Å | ||
| 97 | D | 97.8 | Very high | 94.6 | Very high | 81 Ų | 81 | 52.7 Ų | 52.7 | 43% | 0.433 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 127.4 | -179.3 | -72.3 | -6 | 0 | 0 | 0 | 110.8 | L99 S117 F118 S119 | D97-L99 VanDerWaalsContact C-N 3.29Å; D97-L99 PolarHBondContact O-N 2.7Å; D97-S117 WeakPolarHBondContact CA-O 3.28Å; D97-F118 HydrophobicContact CB-CD2 4.06Å; D97-F118 WeakPolarHBondContact OD1-CA 3.47Å; D97-S119 PolarHBondContact OD1-N 3.26Å |
| 98 | G | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 6.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q96 S117 V164 T165 | Q96-G98 PolarHBondContact O-N 3.47Å; G98-S117 PolarHBondContact N-O 2.87Å; G98-V164 PolarHBondContact O-N 3.29Å; G98-T165 PolarHBondContact O-N 2.77Å; G98-T165 VanDerWaalsContact O-N 3.08Å |
| 99 | L | 98 | Very high | 93.6 | Very high | 7 Ų | 7 | 59 Ų | 59 | 4% | 0.037 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 127.3 | 167.4 | -179.7 | 71.5 | 0 | 0 | 0 | 109.3 | L92 Q96 D97 S117 T165 R167 | L92-L99 HydrophobicContact CB-CD2 4.3Å; L92-L99 HydrophobicContact CD2-CD2 4.05Å; L92-L99 HydrophobicContact CD2-CG 3.75Å; Q96-L99 HydrophobicContact CB-CB 4.02Å; Q96-L99 WeakPolarHBondContact O-CB 3.26Å; Q96-L99 PolarHBondContact O-N 3.29Å; D97-L99 VanDerWaalsContact C-N 3.29Å; D97-L99 PolarHBondContact O-N 2.7Å; L99-S117 PolarHBondContact O-N 2.92Å; L99-T165 VanDerWaalsContact CA-O 3.31Å; L99-T165 WeakPolarHBondContact CA-O 3.45Å; L99-T165 HydrophobicContact CD1-CG2 3.84Å; L99-T165 WeakPolarHBondContact CD1-O 3.38Å; L99-R167 HydrophobicContact CD1-CB 4.07Å; L99-R167 HydrophobicContact CG-CB 4.49Å |
| 100 | F | 98.1 | Very high | 92.8 | Very high | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.018 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 161.4 | -172.6 | 74.5 | -85.3 | 0 | 0 | 0 | 114.6 | W78 L114 C115 V116 I149 L163 T165 P166 R167 | W78-F100 HydrophobicContact CB-CD2 4.41Å; W78-F100 HydrophobicContact CB-CE2 3.79Å; W78-F100 HydrophobicContact CB-CZ 4.41Å; W78-F100 HydrophobicContact CD2-CE2 4.25Å; W78-F100 AromaticContact CG-CE2 3.77Å; W78-F100 HydrophobicContact CG-CE2 3.77Å; W78-F100 HydrophobicContact CG-CZ 4.32Å; F100-L114 HydrophobicContact CB-CD1 4.27Å; F100-L114 HydrophobicContact CD2-CD1 3.96Å; F100-L114 HydrophobicContact CG-CD1 4.49Å; F100-C115 CarbonylContact C-O 3.51Å; F100-C115 WeakPolarHBondContact CA-O 3.23Å; F100-C115 WeakPolarHBondContact CB-O 3.34Å; F100-V116 HydrophobicContact CB-CG2 4.28Å; F100-I149 HydrophobicContact CD2-CD1 4.12Å; F100-I149 HydrophobicContact CE2-CD1 3.75Å; F100-I149 HydrophobicContact CE2-CG1 4.34Å; F100-I149 HydrophobicContact CE2-CG2 3.76Å; F100-I149 HydrophobicContact CZ-CG2 3.63Å; F100-L163 HydrophobicContact CB-CD2 3.86Å; F100-L163 HydrophobicContact CD1-CB 3.78Å; F100-L163 HydrophobicContact CD1-CD2 4.06Å; F100-L163 HydrophobicContact CD1-CG 4.34Å; F100-L163 HydrophobicContact CD2-CD1 4.28Å; F100-L163 HydrophobicContact CD2-CD2 4.42Å; F100-L163 HydrophobicContact CE1-CB 3.77Å; F100-L163 HydrophobicContact CE2-CD1 4.28Å; F100-L163 HydrophobicContact CG-CB 4.37Å; F100-L163 HydrophobicContact CG-CD1 4.41Å; F100-L163 HydrophobicContact CG-CD2 3.86Å; F100-L163 HydrophobicContact CG-CG 4.44Å; F100-L163 HydrophobicContact CZ-CB 4.35Å; F100-L163 HydrophobicContact CZ-CD1 4.39Å; F100-T165 VanDerWaalsContact CD1-O 3.23Å; F100-T165 WeakPolarHBondContact CD1-O 3.19Å; F100-T165 PolarHBondContact N-O 2.85Å; F100-P166 HydrophobicContact CE1-CB 3.93Å; F100-P166 HydrophobicContact CE2-CB 4.33Å; F100-P166 HydrophobicContact CZ-CB 3.7Å; F100-R167 VanDerWaalsContact O-CB 3.28Å; F100-R167 WeakPolarHBondContact O-CB 3.44Å; F100-R167 PolarHBondContact O-N 3.28Å |
| 101 | L | 96.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 162.3 | 164.6 | 64.7 | 82.7 | 0 | 0 | 0 | 110.7 | W78 I83 A88 K91 L92 R103 C115 R167 | W78-L101 WeakPolarHBondContact O-CA 3.44Å; I83-L101 HydrophobicContact CD1-CD1 4.04Å; I83-L101 HydrophobicContact CD1-CD2 4.42Å; A88-L101 HydrophobicContact CB-CD1 3.92Å; A88-L101 HydrophobicContact CB-CD2 4.27Å; K91-L101 HydrophobicContact CB-CD2 3.95Å; L92-L101 HydrophobicContact CD1-CD2 4.48Å; L92-L101 HydrophobicContact CD1-CG 4.38Å; L92-L101 HydrophobicContact CD2-CD2 4.05Å; L92-L101 HydrophobicContact CD2-CG 4.17Å; L92-L101 HydrophobicContact CG-CD2 3.96Å; L92-L101 HydrophobicContact CG-CG 4.29Å; L101-R103 HydrophobicContact CD1-CB 4.34Å; L101-C115 HydrophobicContact CD1-CB 4.05Å; L101-C115 HydrophobicContact CG-CB 4.21Å; L101-C115 PolarHBondContact N-O 2.92Å; L101-C115 PolarHBondContact O-N 3.12Å; L101-R167 HydrophobicContact CB-CB 4.27Å; L101-R167 HydrophobicContact CD2-CG 4.5Å |
| 102 | V | 94.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 142.4 | 171.2 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | W78 F79 H80 V113 L114 L145 I149 | W78-V102 HydrophobicContact CD2-CG2 4.5Å; W78-V102 HydrophobicContact CE3-CB 3.58Å; W78-V102 HydrophobicContact CE3-CG2 3.38Å; W78-V102 HydrophobicContact CZ3-CB 3.59Å; W78-V102 HydrophobicContact CZ3-CG1 4.2Å; W78-V102 HydrophobicContact CZ3-CG2 3.45Å; W78-V102 VanDerWaalsContact CZ3-CG2 3.45Å; W78-V102 PolarHBondContact O-N 2.83Å; F79-V102 WeakPolarHBondContact CA-O 3.33Å; F79-V102 HydrophobicContact CD2-CB 4.15Å; F79-V102 HydrophobicContact CD2-CG1 3.94Å; F79-V102 HydrophobicContact CE2-CG1 4.32Å; H80-V102 PolarHBondContact N-O 3.03Å; V102-V113 WeakPolarHBondContact CA-O 3.37Å; V102-L114 HydrophobicContact CG2-CD1 3.84Å; V102-L145 HydrophobicContact CG1-CD1 4.14Å; V102-L145 HydrophobicContact CG1-CD2 4.13Å; V102-I149 HydrophobicContact CG2-CD1 3.89Å |
| 103 | R | 93 | Very high | 92.5 | Very high | 27 Ų | 27 | 55.8 Ų | 55.8 | 10% | 0.102 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 163.1 | 176.2 | 62.2 | 177 | -178.1 | 79 | -2.5 | 110.8 | G81 I83 L101 Y112 V113 | G81-R103 WeakPolarHBondContact O-CA 3.22Å; G81-R103 WeakPolarHBondContact O-CB 3.44Å; I83-R103 HydrophobicContact CD1-CB 4.31Å; I83-R103 HydrophobicContact CG1-CB 3.63Å; I83-R103 HydrophobicContact CG1-CG 4.4Å; I83-R103 WeakPolarHBondContact O-CD 3.49Å; L101-R103 HydrophobicContact CD1-CB 4.34Å; R103-Y112 CarbonylContact O-C 3.55Å; R103-Y112 WeakPolarHBondContact O-CA 3.42Å; R103-V113 HydrophobicContact CG-CB 3.92Å; R103-V113 PolarHBondContact N-O 2.89Å; R103-V113 PolarHBondContact O-N 3.41Å |
| 104 | E | 90.5 | Very high | 92.6 | Very high | 62 Ų | 62 | 52 Ų | 52 | 29% | 0.29 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 146.8 | 169.5 | -70.2 | 176.2 | -137 | 0 | 0 | 111 | F79 G81 K82 I106 Y112 | F79-E104 HydrophobicContact CE2-CG 4.35Å; F79-E104 HydrophobicContact CZ-CG 3.89Å; G81-E104 PolarHBondContact O-N 2.81Å; K82-E104 WeakPolarHBondContact CE-OE2 3.4Å; K82-E104 HydrophobicContact CG-CB 4.19Å; K82-E104 HydrophobicContact CG-CG 4.37Å; K82-E104 WeakPolarHBondContact CG-OE2 3.45Å; E104-I106 PolarHBondContact O-N 3.49Å; E104-Y112 HydrophobicContact CG-CD1 4.32Å; E104-Y112 HydrophobicContact CG-CE1 4.29Å |
| 105 | S | 89.2 | Confident | 92.8 | Very high | 12 Ų | 12 | 47.2 Ų | 47.2 | 8% | 0.084 | 25% | 0.247 | C | C | . | . | trans | -78.3 | 117 | 171.8 | -179.8 | 0 | 0 | 0 | 0 | 109.9 | H108 D111 | S105-H108 VanDerWaalsContact CB-O 3.32Å; S105-H108 WeakPolarHBondContact CB-O 3.46Å; S105-H108 PolarHBondContact OG-N 2.79Å; S105-H108 PolarHBondContact OG-O 3.3Å; S105-D111 WeakPolarHBondContact CB-O 3.34Å; S105-D111 PolarHBondContact N-O 3.42Å | ||
| 106 | I | 87.2 | Confident | 93 | Very high | 115 Ų | 115 | 44.2 Ų | 44.2 | 59% | 0.59 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -74.5 | -31.9 | 174.1 | -58.6 | 172.1 | 0 | 0 | 0 | 110.7 | E104 | E104-I106 PolarHBondContact O-N 3.49Š|
| 107 | R | 86.7 | Confident | 93 | Very high | 225 Ų | 225 | 39.7 Ų | 39.7 | 85% | 0.849 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -79.8 | -29.2 | -177 | -63.2 | -175.1 | -162.3 | 171.4 | 4.8 | 113 | ||
| 108 | H | 88.1 | Confident | 93 | Very high | 75 Ų | 75 | 38.5 Ų | 38.5 | 35% | 0.347 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -130.8 | 89.7 | -177 | -52.7 | 105.3 | 0 | 0 | 0 | 108.3 | S105 G110 D111 R126 | S105-H108 VanDerWaalsContact CB-O 3.32Å; S105-H108 WeakPolarHBondContact CB-O 3.46Å; S105-H108 PolarHBondContact OG-N 2.79Å; S105-H108 PolarHBondContact OG-O 3.3Å; H108-G110 PolarHBondContact O-N 3.19Å; H108-D111 HydrophobicContact CB-CB 4.12Å; H108-D111 WeakPolarHBondContact CB-OD2 3.4Å; H108-D111 WeakPolarHBondContact O-CB 3.18Å; H108-D111 PolarHBondContact O-N 3.4Å; H108-D111 VanDerWaalsContact O-N 3.09Å; H108-R126 PolarHBondContact CD2-NH2 3.19Å; H108-R126 VanDerWaalsContact CD2-NH2 3.32Å; H108-R126 PolarHBondContact CE1-NH1 3.18Å; H108-R126 VanDerWaalsContact CG-CZ 3.42Å; H108-R126 PolarHBondContact ND1-NE 2.81Å; H108-R126 PolarHBondContact NE2-NH1 2.93Å |
| 109 | P | 83.7 | Confident | 93 | Very high | 123 Ų | 123 | 42 Ų | 42 | 80% | 0.799 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 130.1 | 179.6 | -26.5 | 35.2 | 0 | 0 | 0 | 111.6 | ||
| 110 | G | 80.2 | Confident | 92.8 | Very high | 53 Ų | 53 | 50.1 Ų | 50.1 | 55% | 0.546 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100 | -24.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | H108 | H108-G110 PolarHBondContact O-N 3.19Š|
| 111 | D | 90.8 | Very high | 92.7 | Very high | 14 Ų | 14 | 55.9 Ų | 55.9 | 8% | 0.075 | 28% | 0.284 | C | S | . | . | trans | -85.6 | 166.2 | 175.1 | -73.7 | -13.4 | 0 | 0 | 0 | 112.5 | S105 H108 R126 V127 Y129 | S105-D111 WeakPolarHBondContact CB-O 3.34Å; S105-D111 PolarHBondContact N-O 3.42Å; H108-D111 HydrophobicContact CB-CB 4.12Å; H108-D111 WeakPolarHBondContact CB-OD2 3.4Å; H108-D111 WeakPolarHBondContact O-CB 3.18Å; H108-D111 PolarHBondContact O-N 3.4Å; H108-D111 VanDerWaalsContact O-N 3.09Å; D111-R126 IonicContact OD2-CZ 2.72Å; D111-R126 IonicContact OD2-NE 3.61Å; D111-R126 PolarHBondContact OD2-NE 2.97Å; D111-R126 IonicContact OD2-NH2 2.72Å; D111-R126 PolarHBondContact OD2-NH2 3.19Å; D111-V127 WeakPolarHBondContact CB-O 3.47Å; D111-Y129 PolarHBondContact OD1-N 2.8Å | ||
| 112 | Y | 93.6 | Very high | 92.8 | Very high | 25 Ų | 25 | 57.2 Ų | 57.2 | 10% | 0.098 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 170.5 | 172.7 | -52.7 | -82.5 | 0 | 0 | 0 | 111.7 | F79 R103 E104 V127 L134 L145 | F79-Y112 AromaticContact CE2-CD1 3.77Å; F79-Y112 HydrophobicContact CE2-CD1 3.77Å; F79-Y112 AromaticContact CE2-CE1 3.84Å; F79-Y112 HydrophobicContact CE2-CE1 3.84Å; F79-Y112 HydrophobicContact CZ-CD1 4.36Å; F79-Y112 HydrophobicContact CZ-CE1 4.04Å; R103-Y112 CarbonylContact O-C 3.55Å; R103-Y112 WeakPolarHBondContact O-CA 3.42Å; E104-Y112 HydrophobicContact CG-CD1 4.32Å; E104-Y112 HydrophobicContact CG-CE1 4.29Å; Y112-V127 PolarHBondContact N-O 2.81Å; Y112-V127 PolarHBondContact O-N 2.8Å; Y112-L134 HydrophobicContact CD2-CD2 3.85Å; Y112-L134 HydrophobicContact CE2-CD2 4Å; Y112-L145 HydrophobicContact CD1-CD1 4.04Å; Y112-L145 HydrophobicContact CD2-CD1 4.15Å; Y112-L145 HydrophobicContact CD2-CD2 4.12Å; Y112-L145 HydrophobicContact CD2-CG 4.35Å; Y112-L145 HydrophobicContact CE1-CD1 4.07Å; Y112-L145 HydrophobicContact CE2-CD1 4.2Å; Y112-L145 HydrophobicContact CG-CD1 4.05Å; Y112-L145 HydrophobicContact CG-CD2 4.22Å |
| 113 | V | 96.6 | Very high | 92.9 | Very high | 10 Ų | 10 | 60.2 Ų | 60.2 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 120.8 | 171.7 | -174 | 0 | 0 | 0 | 0 | 109.1 | V102 R103 H124 Y125 | V102-V113 WeakPolarHBondContact CA-O 3.37Å; R103-V113 HydrophobicContact CG-CB 3.92Å; R103-V113 PolarHBondContact N-O 2.89Å; R103-V113 PolarHBondContact O-N 3.41Å; V113-H124 HydrophobicContact CG1-CB 3.99Å; V113-Y125 CarbonylContact C-O 3.58Å; V113-Y125 VanDerWaalsContact CA-O 3.25Å; V113-Y125 WeakPolarHBondContact CA-O 3.21Å; V113-Y125 WeakPolarHBondContact CG1-O 3.4Å |
| 114 | L | 97.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 122.1 | 168.4 | 171.3 | 63.8 | 0 | 0 | 0 | 108.4 | F100 V102 V116 Y125 V127 I136 I149 L159 L163 | F100-L114 HydrophobicContact CB-CD1 4.27Å; F100-L114 HydrophobicContact CD2-CD1 3.96Å; F100-L114 HydrophobicContact CG-CD1 4.49Å; V102-L114 HydrophobicContact CG2-CD1 3.84Å; L114-V116 HydrophobicContact CD1-CG2 4.12Å; L114-V116 HydrophobicContact CD2-CG2 4.17Å; L114-V116 HydrophobicContact CG-CG2 3.79Å; L114-Y125 PolarHBondContact N-O 2.86Å; L114-Y125 PolarHBondContact O-N 3.24Å; L114-V127 HydrophobicContact CB-CG2 3.99Å; L114-I136 HydrophobicContact CD2-CD1 3.94Å; L114-I149 HydrophobicContact CD1-CD1 3.86Å; L114-L159 HydrophobicContact CD2-CD1 3.86Å; L114-L159 HydrophobicContact CD2-CD2 4.07Å; L114-L163 HydrophobicContact CD1-CD1 4.38Å; L114-L163 HydrophobicContact CD1-CD2 4.29Å; L114-L163 HydrophobicContact CD2-CD1 4.35Å; L114-L163 HydrophobicContact CD2-CD2 4.32Å |
| 115 | C | 98.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 122.3 | 178.8 | -55.5 | 0 | 0 | 0 | 0 | 108.6 | A88 L92 F100 L101 V122 F123 H124 | A88-C115 HydrophobicContact CB-CB 4.49Å; L92-C115 HydrophobicContact CD1-CB 3.77Å; F100-C115 CarbonylContact C-O 3.51Å; F100-C115 WeakPolarHBondContact CA-O 3.23Å; F100-C115 WeakPolarHBondContact CB-O 3.34Å; L101-C115 HydrophobicContact CD1-CB 4.05Å; L101-C115 HydrophobicContact CG-CB 4.21Å; L101-C115 PolarHBondContact N-O 2.92Å; L101-C115 PolarHBondContact O-N 3.12Å; C115-V122 HydrophobicContact CB-CG1 4.27Å; C115-F123 CarbonylContact C-O 3.52Å; C115-F123 VanDerWaalsContact CA-O 3.29Å; C115-F123 WeakPolarHBondContact CA-O 3.44Å; C115-H124 PolarHBondContact SG-ND1 2.85Å |
| 116 | V | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 127 | -174.9 | -171.4 | 0 | 0 | 0 | 0 | 109.5 | F100 L114 V122 F123 Y125 T161 L163 | F100-V116 HydrophobicContact CB-CG2 4.28Å; L114-V116 HydrophobicContact CD1-CG2 4.12Å; L114-V116 HydrophobicContact CD2-CG2 4.17Å; L114-V116 HydrophobicContact CG-CG2 3.79Å; V116-V122 CarbonylContact O-C 3.41Å; V116-V122 WeakPolarHBondContact O-CA 3.41Å; V116-F123 PolarHBondContact N-O 2.85Å; V116-F123 PolarHBondContact O-N 2.97Å; V116-Y125 HydrophobicContact CB-CE2 4.36Å; V116-Y125 HydrophobicContact CG2-CD2 4.14Å; V116-Y125 HydrophobicContact CG2-CE2 4.06Å; V116-T161 HydrophobicContact CG1-CG2 4Å; V116-L163 HydrophobicContact CG1-CD2 4.22Å; V116-L163 HydrophobicContact CG2-CD2 3.7Å |
| 117 | S | 98.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 128.6 | 171.4 | -172 | 0 | 0 | 0 | 0 | 109.9 | Q96 D97 G98 L99 E121 | Q96-S117 WeakPolarHBondContact O-CB 3.45Å; D97-S117 WeakPolarHBondContact CA-O 3.28Å; G98-S117 PolarHBondContact N-O 2.87Å; L99-S117 PolarHBondContact O-N 2.92Å; S117-E121 CarbonylContact C-O 3.51Å; S117-E121 VanDerWaalsContact CA-O 3.26Å; S117-E121 WeakPolarHBondContact CA-O 3.47Å; S117-E121 PolarHBondContact OG-O 3.28Å |
| 118 | F | 97.9 | Very high | 94.6 | Very high | 56 Ų | 56 | 51.8 Ų | 51.8 | 25% | 0.246 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 136.4 | 176.5 | -179.3 | -111.2 | 0 | 0 | 0 | 109.8 | D97 K120 E121 F123 V160 T161 | D97-F118 HydrophobicContact CB-CD2 4.06Å; D97-F118 WeakPolarHBondContact OD1-CA 3.47Å; F118-K120 PolarHBondContact O-N 3.09Å; F118-E121 PolarHBondContact N-O 3.49Å; F118-E121 PolarHBondContact O-N 3.22Å; F118-F123 HydrophobicContact CB-CD2 4.14Å; F118-F123 HydrophobicContact CB-CE2 4.08Å; F118-F123 HydrophobicContact CD1-CE2 4.25Å; F118-V160 HydrophobicContact CB-CB 4.42Å; F118-V160 HydrophobicContact CB-CG2 3.73Å; F118-V160 HydrophobicContact CD1-CB 3.86Å; F118-V160 HydrophobicContact CD1-CG2 4.12Å; F118-V160 HydrophobicContact CE1-CB 4.44Å; F118-V160 HydrophobicContact CG-CB 4.24Å; F118-V160 HydrophobicContact CG-CG2 4.05Å; F118-T161 HydrophobicContact CB-CG2 4.11Å; F118-T161 HydrophobicContact CD2-CG2 3.7Å; F118-T161 HydrophobicContact CE2-CG2 4.48Å; F118-T161 HydrophobicContact CG-CG2 4.13Å |
| 119 | S | 96.4 | Very high | 94.5 | Very high | 73 Ų | 73 | 51.6 Ų | 51.6 | 51% | 0.51 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 40 | 178.7 | -64.1 | 0 | 0 | 0 | 0 | 113.2 | D97 E121 | D97-S119 PolarHBondContact OD1-N 3.26Å; S119-E121 PolarHBondContact O-N 3.21Å |
| 120 | K | 93.6 | Very high | 94.4 | Very high | 178 Ų | 178 | 51.3 Ų | 51.3 | 77% | 0.774 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 0.9 | -176.8 | -53.6 | 174.1 | -179.4 | 175.2 | 0 | 115.9 | F118 | F118-K120 PolarHBondContact O-N 3.09Š|
| 121 | E | 96.1 | Very high | 94.4 | Very high | 126 Ų | 126 | 55.2 Ų | 55.2 | 59% | 0.589 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 167.8 | 174 | -62.7 | -169.9 | 155.4 | 0 | 0 | 111.1 | S117 F118 S119 F123 | S117-E121 CarbonylContact C-O 3.51Å; S117-E121 VanDerWaalsContact CA-O 3.26Å; S117-E121 WeakPolarHBondContact CA-O 3.47Å; S117-E121 PolarHBondContact OG-O 3.28Å; F118-E121 PolarHBondContact N-O 3.49Å; F118-E121 PolarHBondContact O-N 3.22Å; S119-E121 PolarHBondContact O-N 3.21Å; E121-F123 HydrophobicContact CB-CE2 3.99Å; E121-F123 HydrophobicContact CB-CZ 4.45Å |
| 122 | V | 97.9 | Very high | 93.3 | Very high | 27 Ų | 27 | 59.9 Ų | 59.9 | 16% | 0.164 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 115.3 | 175 | 175.6 | 0 | 0 | 0 | 0 | 109.2 | V89 L92 C115 V116 | V89-V122 HydrophobicContact CG1-CG2 4.17Å; V89-V122 HydrophobicContact CG2-CB 4.03Å; V89-V122 HydrophobicContact CG2-CG1 4.05Å; V89-V122 HydrophobicContact CG2-CG2 4.38Å; L92-V122 HydrophobicContact CB-CG2 4.16Å; L92-V122 HydrophobicContact CD1-CG1 3.58Å; L92-V122 HydrophobicContact CD1-CG2 4.08Å; C115-V122 HydrophobicContact CB-CG1 4.27Å; V116-V122 CarbonylContact O-C 3.41Å; V116-V122 WeakPolarHBondContact O-CA 3.41Å |
| 123 | F | 98.1 | Very high | 92.8 | Very high | 63 Ų | 63 | 62.5 Ų | 62.5 | 28% | 0.276 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 137.4 | 177.6 | -66.3 | -94 | 0 | 0 | 0 | 110.2 | C115 V116 F118 E121 Y125 V160 | C115-F123 CarbonylContact C-O 3.52Å; C115-F123 VanDerWaalsContact CA-O 3.29Å; C115-F123 WeakPolarHBondContact CA-O 3.44Å; V116-F123 PolarHBondContact N-O 2.85Å; V116-F123 PolarHBondContact O-N 2.97Å; F118-F123 HydrophobicContact CB-CD2 4.14Å; F118-F123 HydrophobicContact CB-CE2 4.08Å; F118-F123 HydrophobicContact CD1-CE2 4.25Å; E121-F123 HydrophobicContact CB-CE2 3.99Å; E121-F123 HydrophobicContact CB-CZ 4.45Å; F123-Y125 HydrophobicContact CB-CD2 4.47Å; F123-Y125 HydrophobicContact CB-CE2 3.68Å; F123-V160 HydrophobicContact CB-CG2 4.31Å; F123-V160 HydrophobicContact CD1-CG1 3.86Å; F123-V160 HydrophobicContact CD2-CG1 4.21Å; F123-V160 HydrophobicContact CD2-CG2 3.81Å; F123-V160 HydrophobicContact CE1-CG1 3.9Å; F123-V160 HydrophobicContact CE2-CG1 4.24Å; F123-V160 HydrophobicContact CE2-CG2 4.34Å; F123-V160 HydrophobicContact CG-CG1 4.03Å; F123-V160 HydrophobicContact CG-CG2 4.01Å; F123-V160 HydrophobicContact CZ-CG1 4.1Å |
| 124 | H | 97.9 | Very high | 92.4 | Very high | 82 Ų | 82 | 62 Ų | 62 | 38% | 0.38 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 107.6 | -179.3 | -66.8 | -85.3 | 0 | 0 | 0 | 110.3 | V113 C115 | V113-H124 HydrophobicContact CG1-CB 3.99Å; C115-H124 PolarHBondContact SG-ND1 2.85Å |
| 125 | Y | 97.8 | Very high | 92.2 | Very high | 36 Ų | 36 | 62.2 Ų | 62.2 | 14% | 0.141 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 121.4 | 176.4 | -61.4 | -86.3 | 0 | 0 | 0 | 109.7 | V113 L114 V116 F123 V127 I136 L159 V160 | V113-Y125 CarbonylContact C-O 3.58Å; V113-Y125 VanDerWaalsContact CA-O 3.25Å; V113-Y125 WeakPolarHBondContact CA-O 3.21Å; V113-Y125 WeakPolarHBondContact CG1-O 3.4Å; L114-Y125 PolarHBondContact N-O 2.86Å; L114-Y125 PolarHBondContact O-N 3.24Å; V116-Y125 HydrophobicContact CB-CE2 4.36Å; V116-Y125 HydrophobicContact CG2-CD2 4.14Å; V116-Y125 HydrophobicContact CG2-CE2 4.06Å; F123-Y125 HydrophobicContact CB-CD2 4.47Å; F123-Y125 HydrophobicContact CB-CE2 3.68Å; Y125-V127 PolarHBondContact O-N 2.96Å; Y125-I136 HydrophobicContact CD1-CG2 3.96Å; Y125-I136 HydrophobicContact CG-CG2 4.37Å; Y125-L159 HydrophobicContact CD1-CD2 3.75Å; Y125-L159 HydrophobicContact CD2-CD2 3.78Å; Y125-L159 HydrophobicContact CE1-CD2 3.81Å; Y125-L159 HydrophobicContact CE2-CD2 3.84Å; Y125-L159 HydrophobicContact CG-CD2 3.73Å; Y125-V160 HydrophobicContact CE2-CG2 4.48Å; Y125-V160 WeakPolarHBondContact OH-CG1 3.23Å; Y125-V160 WeakPolarHBondContact OH-CG2 3.44Å; Y125-V160 PolarHBondContact OH-N 2.84Å |
| 126 | R | 96.4 | Very high | 92.2 | Very high | 109 Ų | 109 | 63.5 Ų | 63.5 | 41% | 0.411 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 127.3 | 168.8 | -176.5 | -177.9 | -178.5 | -177.5 | -4.2 | 108 | H108 D111 I128 | H108-R126 PolarHBondContact CD2-NH2 3.19Å; H108-R126 VanDerWaalsContact CD2-NH2 3.32Å; H108-R126 PolarHBondContact CE1-NH1 3.18Å; H108-R126 VanDerWaalsContact CG-CZ 3.42Å; H108-R126 PolarHBondContact ND1-NE 2.81Å; H108-R126 PolarHBondContact NE2-NH1 2.93Å; D111-R126 IonicContact OD2-CZ 2.72Å; D111-R126 IonicContact OD2-NE 3.61Å; D111-R126 PolarHBondContact OD2-NE 2.97Å; D111-R126 IonicContact OD2-NH2 2.72Å; D111-R126 PolarHBondContact OD2-NH2 3.19Å; R126-I128 HydrophobicContact CG-CG1 4.14Å |
| 127 | V | 95.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 107.6 | 172.2 | -176.3 | 0 | 0 | 0 | 0 | 106.1 | D111 Y112 L114 Y125 L134 T135 I136 L145 M148 | D111-V127 WeakPolarHBondContact CB-O 3.47Å; Y112-V127 PolarHBondContact N-O 2.81Å; Y112-V127 PolarHBondContact O-N 2.8Å; L114-V127 HydrophobicContact CB-CG2 3.99Å; Y125-V127 PolarHBondContact O-N 2.96Å; V127-L134 HydrophobicContact CG1-CB 4.07Å; V127-L134 HydrophobicContact CG1-CD2 3.84Å; V127-L134 HydrophobicContact CG1-CG 4.45Å; V127-T135 CarbonylContact C-O 3.59Å; V127-T135 WeakPolarHBondContact CA-O 3.3Å; V127-I136 HydrophobicContact CG2-CD1 4.17Å; V127-I136 HydrophobicContact CG2-CG1 3.97Å; V127-L145 HydrophobicContact CG1-CD2 4.24Å; V127-M148 HydrophobicContact CB-SD 4.46Å; V127-M148 HydrophobicContact CG1-CE 4.26Å; V127-M148 HydrophobicContact CG1-SD 3.59Å; V127-M148 VanDerWaalsContact CG1-SD 3.59Å; V127-M148 HydrophobicContact CG2-CE 3.94Å; V127-M148 HydrophobicContact CG2-SD 3.99Å |
| 128 | I | 93.9 | Very high | 91.6 | Very high | 37 Ų | 37 | 70 Ų | 70 | 19% | 0.19 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 129.4 | -176.6 | -58.1 | 170.9 | 0 | 0 | 0 | 108.2 | R126 Q130 L134 T135 | R126-I128 HydrophobicContact CG-CG1 4.14Å; I128-Q130 HydrophobicContact CG2-CB 4.36Å; I128-L134 CarbonylContact O-C 3.53Å; I128-L134 VanDerWaalsContact O-CA 3.28Å; I128-L134 WeakPolarHBondContact O-CA 3.15Å; I128-T135 HydrophobicContact CB-CG2 4.22Å; I128-T135 PolarHBondContact N-O 3.36Å; I128-T135 PolarHBondContact O-N 3.46Å |
| 129 | Y | 84.8 | Confident | 91.3 | Very high | 72 Ų | 72 | 75.3 Ų | 75.3 | 28% | 0.282 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 112.1 | 170.7 | -178.3 | -108.3 | 0 | 0 | 0 | 110.3 | D111 N132 K133 L134 C222 | D111-Y129 PolarHBondContact OD1-N 2.8Å; Y129-N132 WeakPolarHBondContact OH-CA 3.31Å; Y129-N132 PolarHBondContact OH-OD1 3.45Å; Y129-K133 WeakPolarHBondContact CA-O 3.28Å; Y129-K133 WeakPolarHBondContact CD2-O 3.36Å; Y129-L134 HydrophobicContact CD2-CD2 3.64Å; Y129-L134 HydrophobicContact CD2-CG 4.05Å; Y129-L134 HydrophobicContact CG-CD2 4.2Å; Y129-C222 WeakPolarHBondContact CE2-SG 3.37Å; Y129-C222 PolarHBondContact OH-SG 3.44Å |
| 130 | Q | 83.1 | Confident | 91.1 | Very high | 116 Ų | 116 | 75.4 Ų | 75.4 | 54% | 0.542 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 142.3 | -179.6 | -174.1 | 176.8 | -9.2 | 0 | 0 | 110.4 | I128 N132 K133 | I128-Q130 HydrophobicContact CG2-CB 4.36Å; Q130-N132 PolarHBondContact O-N 2.97Å; Q130-K133 PolarHBondContact N-O 2.78Å; Q130-K133 PolarHBondContact O-N 2.76Å |
| 131 | D | 78.7 | Confident | 90.9 | Very high | 135 Ų | 135 | 71.9 Ų | 71.9 | 72% | 0.722 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 39.7 | 177.3 | -56.8 | -36.8 | 0 | 0 | 0 | 113.8 | K133 | D131-K133 PolarHBondContact O-N 2.87Š|
| 132 | N | 69.3 | Low | 90.4 | Very high | 113 Ų | 113 | 66.5 Ų | 66.5 | 60% | 0.604 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 27.9 | -175.6 | -57 | -45 | 0 | 0 | 0 | 114.5 | Y129 Q130 | Y129-N132 WeakPolarHBondContact OH-CA 3.31Å; Y129-N132 PolarHBondContact OH-OD1 3.45Å; Q130-N132 PolarHBondContact O-N 2.97Å |
| 133 | K | 82 | Confident | 89.3 | Confident | 80 Ų | 80 | 72.5 Ų | 72.5 | 35% | 0.348 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 157.7 | 175.4 | -63.6 | -176 | -177.2 | -179.6 | 0 | 110.9 | Y129 Q130 D131 Y141 F142 | Y129-K133 WeakPolarHBondContact CA-O 3.28Å; Y129-K133 WeakPolarHBondContact CD2-O 3.36Å; Q130-K133 PolarHBondContact N-O 2.78Å; Q130-K133 PolarHBondContact O-N 2.76Å; D131-K133 PolarHBondContact O-N 2.87Å; K133-Y141 HydrophobicContact CB-CD1 4.06Å; K133-Y141 HydrophobicContact CD-CD1 4.3Å; K133-Y141 HydrophobicContact CD-CG 4.39Å; K133-F142 CarbonylContact C-O 3.59Å; K133-F142 VanDerWaalsContact CA-O 3.25Å; K133-F142 WeakPolarHBondContact CA-O 3.41Å |
| 134 | L | 88.4 | Confident | 88.3 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 142.1 | 176.2 | -65.1 | 162.1 | 0 | 0 | 0 | 110.2 | Y112 V127 I128 Y129 Y141 F142 L145 D223 | Y112-L134 HydrophobicContact CD2-CD2 3.85Å; Y112-L134 HydrophobicContact CE2-CD2 4Å; V127-L134 HydrophobicContact CG1-CB 4.07Å; V127-L134 HydrophobicContact CG1-CD2 3.84Å; V127-L134 HydrophobicContact CG1-CG 4.45Å; I128-L134 CarbonylContact O-C 3.53Å; I128-L134 VanDerWaalsContact O-CA 3.28Å; I128-L134 WeakPolarHBondContact O-CA 3.15Å; Y129-L134 HydrophobicContact CD2-CD2 3.64Å; Y129-L134 HydrophobicContact CD2-CG 4.05Å; Y129-L134 HydrophobicContact CG-CD2 4.2Å; L134-Y141 CarbonylContact O-C 3.59Å; L134-Y141 VanDerWaalsContact O-CA 3.3Å; L134-Y141 WeakPolarHBondContact O-CA 3.38Å; L134-F142 HydrophobicContact CB-CB 4.37Å; L134-F142 PolarHBondContact N-O 3.31Å; L134-F142 PolarHBondContact O-N 3.45Å; L134-L145 HydrophobicContact CD1-CB 4.48Å; L134-L145 HydrophobicContact CD1-CD2 4.07Å; L134-L145 HydrophobicContact CD1-CG 3.94Å; L134-D223 WeakPolarHBondContact CD1-OD2 3.26Å |
| 135 | T | 94.6 | Very high | 87.6 | Confident | 4 Ų | 4 | 66.3 Ų | 66.3 | 3% | 0.025 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 156 | 172.1 | -173.1 | 0 | 0 | 0 | 0 | 111.7 | V127 I128 D137 N138 Q140 Y141 | V127-T135 CarbonylContact C-O 3.59Å; V127-T135 WeakPolarHBondContact CA-O 3.3Å; I128-T135 HydrophobicContact CB-CG2 4.22Å; I128-T135 PolarHBondContact N-O 3.36Å; I128-T135 PolarHBondContact O-N 3.46Å; T135-D137 PolarHBondContact OG1-N 2.72Å; T135-N138 VanDerWaalsContact CG2-OD1 3.31Å; T135-N138 WeakPolarHBondContact CG2-OD1 3.15Å; T135-N138 WeakPolarHBondContact OG1-CA 3.4Å; T135-N138 PolarHBondContact OG1-N 2.8Å; T135-Q140 WeakPolarHBondContact CB-O 3.31Å; T135-Q140 PolarHBondContact OG1-O 2.89Å; T135-Y141 HydrophobicContact CG2-CD1 4.23Å; T135-Y141 HydrophobicContact CG2-CE1 3.86Å |
| 136 | I | 96.4 | Very high | 86.9 | Confident | 26 Ų | 26 | 66.8 Ų | 66.8 | 13% | 0.133 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -106.2 | -32.6 | 172.1 | -64.3 | -179 | 0 | 0 | 0 | 110.8 | L114 Y125 V127 M148 Y152 L159 | L114-I136 HydrophobicContact CD2-CD1 3.94Å; Y125-I136 HydrophobicContact CD1-CG2 3.96Å; Y125-I136 HydrophobicContact CG-CG2 4.37Å; V127-I136 HydrophobicContact CG2-CD1 4.17Å; V127-I136 HydrophobicContact CG2-CG1 3.97Å; I136-M148 HydrophobicContact CD1-SD 4.07Å; I136-M148 HydrophobicContact CG1-SD 4.23Å; I136-Y152 HydrophobicContact CD1-CD2 4.29Å; I136-Y152 HydrophobicContact CD1-CE2 3.59Å; I136-Y152 HydrophobicContact CG1-CE2 4.36Å; I136-L159 HydrophobicContact CD1-CD2 3.93Å |
| 137 | D | 92.9 | Very high | 86.3 | Confident | 44 Ų | 44 | 62.9 Ų | 62.9 | 24% | 0.235 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -125.7 | 2.1 | -168.5 | 53.8 | 23.7 | 0 | 0 | 0 | 114.4 | T135 Q139 Q140 S158 | T135-D137 PolarHBondContact OG1-N 2.72Å; D137-Q139 PolarHBondContact O-N 3.09Å; D137-Q139 PolarHBondContact OD1-N 3.39Å; D137-Q140 PolarHBondContact OD1-N 3.48Å; D137-S158 VanDerWaalsContact OD2-CB 3.26Å; D137-S158 WeakPolarHBondContact OD2-CB 3.28Å; D137-S158 PolarHBondContact OD2-OG 3.19Å |
| 138 | N | 92 | Very high | 86 | Confident | 92 Ų | 92 | 62.9 Ų | 62.9 | 49% | 0.492 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 59 | 17.4 | -173.3 | -56.5 | -48.1 | 0 | 0 | 0 | 114.4 | T135 Y141 | T135-N138 VanDerWaalsContact CG2-OD1 3.31Å; T135-N138 WeakPolarHBondContact CG2-OD1 3.15Å; T135-N138 WeakPolarHBondContact OG1-CA 3.4Å; T135-N138 PolarHBondContact OG1-N 2.8Å; N138-Y141 PolarHBondContact O-OH 3.38Å |
| 139 | Q | 91.2 | Very high | 85.9 | Confident | 169 Ų | 169 | 61.5 Ų | 61.5 | 79% | 0.79 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -112.1 | -46.3 | 174.6 | -62.8 | -178 | 7.7 | 0 | 0 | 109.9 | D137 | D137-Q139 PolarHBondContact O-N 3.09Å; D137-Q139 PolarHBondContact OD1-N 3.39Å |
| 140 | Q | 92.4 | Very high | 86 | Confident | 75 Ų | 75 | 61.2 Ų | 61.2 | 35% | 0.35 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -102 | 130.8 | 176.7 | -174.3 | 62 | 57.8 | 0 | 0 | 110.7 | T135 D137 F142 F151 | T135-Q140 WeakPolarHBondContact CB-O 3.31Å; T135-Q140 PolarHBondContact OG1-O 2.89Å; D137-Q140 PolarHBondContact OD1-N 3.48Å; Q140-F142 HydrophobicContact CB-CE2 4.29Å; Q140-F142 HydrophobicContact CB-CZ 4.25Å; Q140-F142 HydrophobicContact CG-CD2 4.49Å; Q140-F142 HydrophobicContact CG-CE1 3.74Å; Q140-F142 HydrophobicContact CG-CE2 3.61Å; Q140-F142 HydrophobicContact CG-CZ 3.19Å; Q140-F151 HydrophobicContact CG-CE1 4.22Å; Q140-F151 HydrophobicContact CG-CZ 4.19Å |
| 141 | Y | 90.4 | Very high | 86.5 | Confident | 104 Ų | 104 | 59 Ų | 59 | 41% | 0.408 | 28% | 0.28 | S | S | . | . | trans | -119.5 | 146.3 | 179.8 | -65.7 | -93.5 | 0 | 0 | 0 | 111.3 | K133 L134 T135 N138 | K133-Y141 HydrophobicContact CB-CD1 4.06Å; K133-Y141 HydrophobicContact CD-CD1 4.3Å; K133-Y141 HydrophobicContact CD-CG 4.39Å; L134-Y141 CarbonylContact O-C 3.59Å; L134-Y141 VanDerWaalsContact O-CA 3.3Å; L134-Y141 WeakPolarHBondContact O-CA 3.38Å; T135-Y141 HydrophobicContact CG2-CD1 4.23Å; T135-Y141 HydrophobicContact CG2-CE1 3.86Å; N138-Y141 PolarHBondContact O-OH 3.38Å | ||
| 142 | F | 85.6 | Confident | 87.3 | Confident | 12 Ų | 12 | 52.5 Ų | 52.5 | 5% | 0.053 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -132.9 | 153.1 | -179.8 | -51.6 | -81.1 | 0 | 0 | 0 | 110.5 | K133 L134 Q140 M148 F151 Y152 | K133-F142 CarbonylContact C-O 3.59Å; K133-F142 VanDerWaalsContact CA-O 3.25Å; K133-F142 WeakPolarHBondContact CA-O 3.41Å; L134-F142 HydrophobicContact CB-CB 4.37Å; L134-F142 PolarHBondContact N-O 3.31Å; L134-F142 PolarHBondContact O-N 3.45Å; Q140-F142 HydrophobicContact CB-CE2 4.29Å; Q140-F142 HydrophobicContact CB-CZ 4.25Å; Q140-F142 HydrophobicContact CG-CD2 4.49Å; Q140-F142 HydrophobicContact CG-CE1 3.74Å; Q140-F142 HydrophobicContact CG-CE2 3.61Å; Q140-F142 HydrophobicContact CG-CZ 3.19Å; F142-M148 HydrophobicContact CB-CB 3.98Å; F142-M148 HydrophobicContact CD1-CB 4.14Å; F142-M148 HydrophobicContact CD2-CB 3.68Å; F142-M148 HydrophobicContact CD2-CG 3.57Å; F142-M148 HydrophobicContact CD2-SD 4.43Å; F142-M148 HydrophobicContact CE2-CB 4.13Å; F142-M148 HydrophobicContact CE2-CG 3.65Å; F142-M148 HydrophobicContact CG-CB 3.65Å; F142-M148 HydrophobicContact CG-CG 4.09Å; F142-M148 HydrophobicContact CZ-CG 4.22Å; F142-F151 HydrophobicContact CD1-CB 4.44Å; F142-F151 HydrophobicContact CE1-CB 3.47Å; F142-F151 VanDerWaalsContact CE1-CB 3.47Å; F142-F151 AromaticContact CE1-CD1 3.85Å; F142-F151 HydrophobicContact CE1-CD1 3.85Å; F142-F151 HydrophobicContact CE1-CD2 4.11Å; F142-F151 AromaticContact CE1-CG 3.55Å; F142-F151 HydrophobicContact CE1-CG 3.55Å; F142-F151 HydrophobicContact CZ-CB 3.97Å; F142-F151 AromaticContact CZ-CD1 3.52Å; F142-F151 HydrophobicContact CZ-CD1 3.52Å; F142-F151 HydrophobicContact CZ-CE1 4.1Å; F142-F151 AromaticContact CZ-CG 3.76Å; F142-F151 HydrophobicContact CZ-CG 3.76Å; F142-Y152 AromaticContact CE2-CE2 3.76Å; F142-Y152 HydrophobicContact CE2-CE2 3.76Å; F142-Y152 HydrophobicContact CZ-CD2 4.41Å; F142-Y152 AromaticContact CZ-CE2 3.88Å; F142-Y152 HydrophobicContact CZ-CE2 3.88Å |
| 143 | Y | 74.4 | Confident | 88.5 | Confident | 154 Ų | 154 | 49.6 Ų | 49.6 | 60% | 0.604 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -87 | -20.2 | 178.3 | -69.1 | -77.4 | 0 | 0 | 0 | 113.4 | ||
| 144 | N | 76.5 | Confident | 89.1 | Confident | 15 Ų | 15 | 52.7 Ų | 52.7 | 8% | 0.08 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -158 | 166.5 | 178.1 | 60.1 | 71.4 | 0 | 0 | 0 | 110.7 | I146 D147 M148 D223 | N144-I146 VanDerWaalsContact C-N 3.3Å; N144-I146 PolarHBondContact O-N 3.48Å; N144-I146 WeakPolarHBondContact OD1-CA 3.23Å; N144-I146 WeakPolarHBondContact OD1-CB 3.4Å; N144-I146 PolarHBondContact OD1-N 3.24Å; N144-I146 VanDerWaalsContact OD1-N 3.08Å; N144-D147 PolarHBondContact ND2-OD2 3.24Å; N144-D147 PolarHBondContact O-N 2.84Å; N144-D147 VanDerWaalsContact OD1-CG 3.3Å; N144-D147 PolarHBondContact OD1-N 3.06Å; N144-D147 PolarHBondContact OD1-OD2 2.63Å; N144-M148 PolarHBondContact O-N 3.49Å; N144-D223 WeakPolarHBondContact CA-OD2 3.45Å |
| 145 | L | 84.3 | Confident | 89.3 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.4 | -29.2 | -178 | -70 | 165.3 | 0 | 0 | 0 | 111.3 | M76 W78 F79 V102 Y112 V127 L134 M148 I149 D223 | M76-L145 HydrophobicContact SD-CB 4.39Å; M76-L145 HydrophobicContact SD-CD1 4.41Å; W78-L145 HydrophobicContact CH2-CB 3.44Å; W78-L145 VanDerWaalsContact CH2-CB 3.44Å; W78-L145 HydrophobicContact CH2-CD1 4.34Å; W78-L145 HydrophobicContact CH2-CG 4.47Å; W78-L145 HydrophobicContact CZ2-CB 4.47Å; W78-L145 HydrophobicContact CZ3-CB 4.03Å; W78-L145 HydrophobicContact CZ3-CD1 4.26Å; F79-L145 HydrophobicContact CD2-CD1 4.35Å; F79-L145 HydrophobicContact CE2-CD1 4.45Å; V102-L145 HydrophobicContact CG1-CD1 4.14Å; V102-L145 HydrophobicContact CG1-CD2 4.13Å; Y112-L145 HydrophobicContact CD1-CD1 4.04Å; Y112-L145 HydrophobicContact CD2-CD1 4.15Å; Y112-L145 HydrophobicContact CD2-CD2 4.12Å; Y112-L145 HydrophobicContact CD2-CG 4.35Å; Y112-L145 HydrophobicContact CE1-CD1 4.07Å; Y112-L145 HydrophobicContact CE2-CD1 4.2Å; Y112-L145 HydrophobicContact CG-CD1 4.05Å; Y112-L145 HydrophobicContact CG-CD2 4.22Å; V127-L145 HydrophobicContact CG1-CD2 4.24Å; L134-L145 HydrophobicContact CD1-CB 4.48Å; L134-L145 HydrophobicContact CD1-CD2 4.07Å; L134-L145 HydrophobicContact CD1-CG 3.94Å; L145-M148 HydrophobicContact CD2-CE 3.55Å; L145-M148 HydrophobicContact CD2-SD 4.32Å; L145-M148 PolarHBondContact O-N 2.83Å; L145-I149 WeakPolarHBondContact O-CB 3.49Å; L145-I149 WeakPolarHBondContact O-CG1 3.31Å; L145-I149 PolarHBondContact O-N 3.47Å; L145-D223 VanDerWaalsContact CB-OD1 3.27Å; L145-D223 WeakPolarHBondContact CB-OD1 3.36Å; L145-D223 HydrophobicContact CD1-CB 4.14Å; L145-D223 HydrophobicContact CG-CB 4.39Å; L145-D223 VanDerWaalsContact CG-CG 3.47Å; L145-D223 VanDerWaalsContact CG-OD2 3.3Å; L145-D223 WeakPolarHBondContact CG-OD2 3.36Å; L145-D223 PolarHBondContact N-OD1 3.1Å; L145-D223 PolarHBondContact N-OD2 3.12Å |
| 146 | I | 82.9 | Confident | 89.3 | Confident | 46 Ų | 46 | 62.2 Ų | 62.2 | 24% | 0.236 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62 | -50.4 | 177.3 | -61.6 | 170.8 | 0 | 0 | 0 | 109.8 | M76 W78 N144 M148 I149 E150 L256 | M76-I146 HydrophobicContact CG-CD1 4.2Å; M76-I146 HydrophobicContact CG-CG1 3.9Å; M76-I146 HydrophobicContact SD-CG1 4.32Å; W78-I146 HydrophobicContact CZ2-CG1 4.23Å; N144-I146 VanDerWaalsContact C-N 3.3Å; N144-I146 PolarHBondContact O-N 3.48Å; N144-I146 WeakPolarHBondContact OD1-CA 3.23Å; N144-I146 WeakPolarHBondContact OD1-CB 3.4Å; N144-I146 PolarHBondContact OD1-N 3.24Å; N144-I146 VanDerWaalsContact OD1-N 3.08Å; I146-M148 VanDerWaalsContact C-N 3.32Å; I146-M148 PolarHBondContact O-N 3.49Å; I146-I149 PolarHBondContact O-N 3.39Å; I146-E150 WeakPolarHBondContact O-CB 3.41Å; I146-E150 PolarHBondContact O-N 3.16Å; I146-L256 HydrophobicContact CD1-CD2 4.11Å |
| 147 | D | 82.1 | Confident | 89.2 | Confident | 26 Ų | 26 | 62.8 Ų | 62.8 | 14% | 0.139 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 178.1 | -63.6 | -20.3 | 0 | 0 | 0 | 111.4 | N144 E150 F151 K254 G255 | N144-D147 PolarHBondContact ND2-OD2 3.24Å; N144-D147 PolarHBondContact O-N 2.84Å; N144-D147 VanDerWaalsContact OD1-CG 3.3Å; N144-D147 PolarHBondContact OD1-N 3.06Å; N144-D147 PolarHBondContact OD1-OD2 2.63Å; D147-E150 PolarHBondContact O-N 2.86Å; D147-F151 WeakPolarHBondContact O-CB 3.04Å; D147-F151 PolarHBondContact O-N 3.4Å; D147-K254 VanDerWaalsContact OD1-C 3.28Å; D147-K254 VanDerWaalsContact OD1-CA 3.28Å; D147-K254 WeakPolarHBondContact OD1-CA 3.43Å; D147-G255 PolarHBondContact OD1-N 2.83Å |
| 148 | M | 90.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.4 | -48.3 | 175.2 | -177.4 | -170.7 | 78.2 | 0 | 0 | 111.5 | V127 I136 F142 N144 L145 I146 F151 Y152 | V127-M148 HydrophobicContact CB-SD 4.46Å; V127-M148 HydrophobicContact CG1-CE 4.26Å; V127-M148 HydrophobicContact CG1-SD 3.59Å; V127-M148 VanDerWaalsContact CG1-SD 3.59Å; V127-M148 HydrophobicContact CG2-CE 3.94Å; V127-M148 HydrophobicContact CG2-SD 3.99Å; I136-M148 HydrophobicContact CD1-SD 4.07Å; I136-M148 HydrophobicContact CG1-SD 4.23Å; F142-M148 HydrophobicContact CB-CB 3.98Å; F142-M148 HydrophobicContact CD1-CB 4.14Å; F142-M148 HydrophobicContact CD2-CB 3.68Å; F142-M148 HydrophobicContact CD2-CG 3.57Å; F142-M148 HydrophobicContact CD2-SD 4.43Å; F142-M148 HydrophobicContact CE2-CB 4.13Å; F142-M148 HydrophobicContact CE2-CG 3.65Å; F142-M148 HydrophobicContact CG-CB 3.65Å; F142-M148 HydrophobicContact CG-CG 4.09Å; F142-M148 HydrophobicContact CZ-CG 4.22Å; N144-M148 PolarHBondContact O-N 3.49Å; L145-M148 HydrophobicContact CD2-CE 3.55Å; L145-M148 HydrophobicContact CD2-SD 4.32Å; L145-M148 PolarHBondContact O-N 2.83Å; I146-M148 VanDerWaalsContact C-N 3.32Å; I146-M148 PolarHBondContact O-N 3.49Å; M148-F151 PolarHBondContact O-N 3.45Å; M148-Y152 HydrophobicContact CG-CD2 3.71Å; M148-Y152 HydrophobicContact CG-CE2 3.72Å; M148-Y152 VanDerWaalsContact O-CD2 3.23Å; M148-Y152 WeakPolarHBondContact O-CD2 3.25Å; M148-Y152 PolarHBondContact O-N 2.85Å; M148-Y152 HydrophobicContact SD-CE2 4.49Å |
| 149 | I | 91.3 | Very high | 89.4 | Confident | 9 Ų | 9 | 59.1 Ų | 59.1 | 5% | 0.046 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.3 | -38.9 | 179 | -66.7 | -61.2 | 0 | 0 | 0 | 111 | W78 F100 V102 L114 L145 I146 Y152 S153 L163 | W78-I149 HydrophobicContact CD2-CG1 4.2Å; W78-I149 HydrophobicContact CE3-CG1 4.26Å; W78-I149 HydrophobicContact CH2-CG1 3.88Å; W78-I149 HydrophobicContact CZ2-CB 4.22Å; W78-I149 HydrophobicContact CZ2-CG1 3.73Å; W78-I149 HydrophobicContact CZ3-CG1 4.12Å; F100-I149 HydrophobicContact CD2-CD1 4.12Å; F100-I149 HydrophobicContact CE2-CD1 3.75Å; F100-I149 HydrophobicContact CE2-CG1 4.34Å; F100-I149 HydrophobicContact CE2-CG2 3.76Å; F100-I149 HydrophobicContact CZ-CG2 3.63Å; V102-I149 HydrophobicContact CG2-CD1 3.89Å; L114-I149 HydrophobicContact CD1-CD1 3.86Å; L145-I149 WeakPolarHBondContact O-CB 3.49Å; L145-I149 WeakPolarHBondContact O-CG1 3.31Å; L145-I149 PolarHBondContact O-N 3.47Å; I146-I149 PolarHBondContact O-N 3.39Å; I149-Y152 PolarHBondContact O-N 3.19Å; I149-S153 WeakPolarHBondContact O-CB 3.2Å; I149-S153 PolarHBondContact O-N 3.01Å; I149-S153 PolarHBondContact O-OG 2.81Å; I149-L163 HydrophobicContact CB-CD1 4.42Å; I149-L163 HydrophobicContact CD1-CD1 3.47Å; I149-L163 VanDerWaalsContact CD1-CD1 3.47Å; I149-L163 HydrophobicContact CG1-CD1 4.5Å; I149-L163 HydrophobicContact CG2-CD1 4.12Å |
| 150 | E | 87.9 | Confident | 89.7 | Confident | 65 Ų | 65 | 53.4 Ų | 53.4 | 30% | 0.304 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 176.1 | -169.9 | -173.4 | 165.6 | 0 | 0 | 111.1 | I146 D147 S153 K154 | I146-E150 WeakPolarHBondContact O-CB 3.41Å; I146-E150 PolarHBondContact O-N 3.16Å; D147-E150 PolarHBondContact O-N 2.86Å; E150-S153 PolarHBondContact O-N 2.82Å; E150-K154 PolarHBondContact O-N 3.24Å; E150-K154 IonicContact OE1-NZ 3.47Å; E150-K154 PolarHBondContact OE1-NZ 3.01Å |
| 151 | F | 92.4 | Very high | 90 | Very high | 69 Ų | 69 | 51 Ų | 51 | 30% | 0.303 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60 | -53.4 | 176.5 | 176.1 | -90.4 | 0 | 0 | 0 | 111.6 | Q140 F142 D147 M148 S153 K154 T155 | Q140-F151 HydrophobicContact CG-CE1 4.22Å; Q140-F151 HydrophobicContact CG-CZ 4.19Å; F142-F151 HydrophobicContact CD1-CB 4.44Å; F142-F151 HydrophobicContact CE1-CB 3.47Å; F142-F151 VanDerWaalsContact CE1-CB 3.47Å; F142-F151 AromaticContact CE1-CD1 3.85Å; F142-F151 HydrophobicContact CE1-CD1 3.85Å; F142-F151 HydrophobicContact CE1-CD2 4.11Å; F142-F151 AromaticContact CE1-CG 3.55Å; F142-F151 HydrophobicContact CE1-CG 3.55Å; F142-F151 HydrophobicContact CZ-CB 3.97Å; F142-F151 AromaticContact CZ-CD1 3.52Å; F142-F151 HydrophobicContact CZ-CD1 3.52Å; F142-F151 HydrophobicContact CZ-CE1 4.1Å; F142-F151 AromaticContact CZ-CG 3.76Å; F142-F151 HydrophobicContact CZ-CG 3.76Å; D147-F151 WeakPolarHBondContact O-CB 3.04Å; D147-F151 PolarHBondContact O-N 3.4Å; M148-F151 PolarHBondContact O-N 3.45Å; F151-S153 PolarHBondContact O-N 2.82Å; F151-K154 PolarHBondContact O-N 2.75Å; F151-T155 PolarHBondContact O-N 3.28Å |
| 152 | Y | 96 | Very high | 90.3 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -71 | -14.8 | -177.6 | -75.3 | -62 | 0 | 0 | 0 | 114 | I136 F142 M148 I149 K154 T155 K156 S158 L159 T162 L163 | I136-Y152 HydrophobicContact CD1-CD2 4.29Å; I136-Y152 HydrophobicContact CD1-CE2 3.59Å; I136-Y152 HydrophobicContact CG1-CE2 4.36Å; F142-Y152 AromaticContact CE2-CE2 3.76Å; F142-Y152 HydrophobicContact CE2-CE2 3.76Å; F142-Y152 HydrophobicContact CZ-CD2 4.41Å; F142-Y152 AromaticContact CZ-CE2 3.88Å; F142-Y152 HydrophobicContact CZ-CE2 3.88Å; M148-Y152 HydrophobicContact CG-CD2 3.71Å; M148-Y152 HydrophobicContact CG-CE2 3.72Å; M148-Y152 VanDerWaalsContact O-CD2 3.23Å; M148-Y152 WeakPolarHBondContact O-CD2 3.25Å; M148-Y152 PolarHBondContact O-N 2.85Å; M148-Y152 HydrophobicContact SD-CE2 4.49Å; I149-Y152 PolarHBondContact O-N 3.19Å; Y152-K154 VanDerWaalsContact C-N 3.35Å; Y152-T155 CarbonylContact C-O 3.58Å; Y152-T155 VanDerWaalsContact CA-O 3.28Å; Y152-T155 WeakPolarHBondContact CA-O 3.41Å; Y152-K156 WeakPolarHBondContact CD1-O 3.42Å; Y152-S158 PolarHBondContact OH-OG 2.94Å; Y152-L159 HydrophobicContact CD1-CD1 3.46Å; Y152-L159 VanDerWaalsContact CD1-CD1 3.46Å; Y152-L159 HydrophobicContact CD1-CG 3.57Å; Y152-L159 HydrophobicContact CD2-CD1 4.17Å; Y152-L159 HydrophobicContact CE1-CD1 4.11Å; Y152-L159 HydrophobicContact CE1-CD2 4.36Å; Y152-L159 HydrophobicContact CE1-CG 3.73Å; Y152-L159 HydrophobicContact CG-CD1 3.5Å; Y152-L159 VanDerWaalsContact CG-CD1 3.5Å; Y152-L159 HydrophobicContact CG-CG 4.08Å; Y152-T162 WeakPolarHBondContact O-CA 3.39Å; Y152-L163 PolarHBondContact O-N 3.01Å |
| 153 | S | 94.4 | Very high | 90.9 | Very high | 52 Ų | 52 | 48 Ų | 48 | 36% | 0.364 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -75 | -24.9 | 169.4 | -57.7 | 0 | 0 | 0 | 0 | 112.8 | I149 E150 F151 L163 | I149-S153 WeakPolarHBondContact O-CB 3.2Å; I149-S153 PolarHBondContact O-N 3.01Å; I149-S153 PolarHBondContact O-OG 2.81Å; E150-S153 PolarHBondContact O-N 2.82Å; F151-S153 PolarHBondContact O-N 2.82Å; S153-L163 WeakPolarHBondContact CA-O 3.3Å |
| 154 | K | 94.5 | Very high | 91.9 | Very high | 145 Ų | 145 | 44.8 Ų | 44.8 | 63% | 0.63 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -97 | -27.3 | 179.3 | -64.6 | 174.6 | -170.3 | 168.7 | 0 | 112.6 | E150 F151 Y152 | E150-K154 PolarHBondContact O-N 3.24Å; E150-K154 IonicContact OE1-NZ 3.47Å; E150-K154 PolarHBondContact OE1-NZ 3.01Å; F151-K154 PolarHBondContact O-N 2.75Å; Y152-K154 VanDerWaalsContact C-N 3.35Å |
| 155 | T | 93.8 | Very high | 92.8 | Very high | 76 Ų | 76 | 46.2 Ų | 46.2 | 47% | 0.466 | 26% | 0.257 | S | S | . | . | trans | -145.3 | 134.9 | -174.9 | -57.1 | 0 | 0 | 0 | 0 | 110.1 | F151 Y152 G157 | F151-T155 PolarHBondContact O-N 3.28Å; Y152-T155 CarbonylContact C-O 3.58Å; Y152-T155 VanDerWaalsContact CA-O 3.28Å; Y152-T155 WeakPolarHBondContact CA-O 3.41Å; T155-G157 VanDerWaalsContact C-N 3.27Å; T155-G157 PolarHBondContact O-N 2.9Å | ||
| 156 | K | 93.9 | Very high | 93.2 | Very high | 127 Ų | 127 | 48.3 Ų | 48.3 | 55% | 0.552 | 27% | 0.271 | S | S | * | . | trans | -64.4 | -31.9 | -177.6 | 69.5 | 170.5 | -172.5 | 174.6 | 0 | 113.1 | Y152 S158 L159 T162 | Y152-K156 WeakPolarHBondContact CD1-O 3.42Å; K156-S158 PolarHBondContact O-N 3.31Å; K156-L159 VanDerWaalsContact O-CB 3.24Å; K156-L159 WeakPolarHBondContact O-CB 3.25Å; K156-L159 WeakPolarHBondContact O-CG 3.33Å; K156-L159 PolarHBondContact O-N 3.36Å; K156-T162 HydrophobicContact CB-CG2 4.1Å | ||
| 157 | G | 93.3 | Very high | 93.8 | Very high | 39 Ų | 39 | 50.9 Ų | 50.9 | 40% | 0.402 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | -126.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | T155 L159 | T155-G157 VanDerWaalsContact C-N 3.27Å; T155-G157 PolarHBondContact O-N 2.9Å; G157-L159 VanDerWaalsContact C-N 3.32Å |
| 158 | S | 93.6 | Very high | 94.1 | Very high | 51 Ų | 51 | 55.6 Ų | 55.6 | 36% | 0.357 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 0.1 | 175.7 | 48.5 | 0 | 0 | 0 | 0 | 115 | D137 Y152 K156 | D137-S158 VanDerWaalsContact OD2-CB 3.26Å; D137-S158 WeakPolarHBondContact OD2-CB 3.28Å; D137-S158 PolarHBondContact OD2-OG 3.19Å; Y152-S158 PolarHBondContact OH-OG 2.94Å; K156-S158 PolarHBondContact O-N 3.31Å |
| 159 | L | 97.1 | Very high | 93.9 | Very high | 8 Ų | 8 | 60.6 Ų | 60.6 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -83.1 | 158.9 | 178.2 | -51.3 | -175.9 | 0 | 0 | 0 | 112.6 | L114 Y125 I136 Y152 K156 G157 T161 L163 | L114-L159 HydrophobicContact CD2-CD1 3.86Å; L114-L159 HydrophobicContact CD2-CD2 4.07Å; Y125-L159 HydrophobicContact CD1-CD2 3.75Å; Y125-L159 HydrophobicContact CD2-CD2 3.78Å; Y125-L159 HydrophobicContact CE1-CD2 3.81Å; Y125-L159 HydrophobicContact CE2-CD2 3.84Å; Y125-L159 HydrophobicContact CG-CD2 3.73Å; I136-L159 HydrophobicContact CD1-CD2 3.93Å; Y152-L159 HydrophobicContact CD1-CD1 3.46Å; Y152-L159 VanDerWaalsContact CD1-CD1 3.46Å; Y152-L159 HydrophobicContact CD1-CG 3.57Å; Y152-L159 HydrophobicContact CD2-CD1 4.17Å; Y152-L159 HydrophobicContact CE1-CD1 4.11Å; Y152-L159 HydrophobicContact CE1-CD2 4.36Å; Y152-L159 HydrophobicContact CE1-CG 3.73Å; Y152-L159 HydrophobicContact CG-CD1 3.5Å; Y152-L159 VanDerWaalsContact CG-CD1 3.5Å; Y152-L159 HydrophobicContact CG-CG 4.08Å; K156-L159 VanDerWaalsContact O-CB 3.24Å; K156-L159 WeakPolarHBondContact O-CB 3.25Å; K156-L159 WeakPolarHBondContact O-CG 3.33Å; K156-L159 PolarHBondContact O-N 3.36Å; G157-L159 VanDerWaalsContact C-N 3.32Å; L159-T161 VanDerWaalsContact C-N 3.28Å; L159-T161 WeakPolarHBondContact CB-O 3.38Å; L159-T161 PolarHBondContact O-N 2.92Å; L159-L163 HydrophobicContact CD1-CD2 3.94Å; L159-L163 HydrophobicContact CD1-CG 4.14Å |
| 160 | V | 97.1 | Very high | 93.5 | Very high | 49 Ų | 49 | 68.7 Ų | 68.7 | 30% | 0.297 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -63.1 | -32.5 | 175.1 | -77.8 | 0 | 0 | 0 | 0 | 112.9 | F118 F123 Y125 | F118-V160 HydrophobicContact CB-CB 4.42Å; F118-V160 HydrophobicContact CB-CG2 3.73Å; F118-V160 HydrophobicContact CD1-CB 3.86Å; F118-V160 HydrophobicContact CD1-CG2 4.12Å; F118-V160 HydrophobicContact CE1-CB 4.44Å; F118-V160 HydrophobicContact CG-CB 4.24Å; F118-V160 HydrophobicContact CG-CG2 4.05Å; F123-V160 HydrophobicContact CB-CG2 4.31Å; F123-V160 HydrophobicContact CD1-CG1 3.86Å; F123-V160 HydrophobicContact CD2-CG1 4.21Å; F123-V160 HydrophobicContact CD2-CG2 3.81Å; F123-V160 HydrophobicContact CE1-CG1 3.9Å; F123-V160 HydrophobicContact CE2-CG1 4.24Å; F123-V160 HydrophobicContact CE2-CG2 4.34Å; F123-V160 HydrophobicContact CG-CG1 4.03Å; F123-V160 HydrophobicContact CG-CG2 4.01Å; F123-V160 HydrophobicContact CZ-CG1 4.1Å; Y125-V160 HydrophobicContact CE2-CG2 4.48Å; Y125-V160 WeakPolarHBondContact OH-CG1 3.23Å; Y125-V160 WeakPolarHBondContact OH-CG2 3.44Å; Y125-V160 PolarHBondContact OH-N 2.84Å |
| 161 | T | 97.7 | Very high | 93 | Very high | 25 Ų | 25 | 68.6 Ų | 68.6 | 15% | 0.153 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -153.7 | 164.2 | 177.7 | -169.5 | 0 | 0 | 0 | 0 | 109.9 | V116 F118 L159 | V116-T161 HydrophobicContact CG1-CG2 4Å; F118-T161 HydrophobicContact CB-CG2 4.11Å; F118-T161 HydrophobicContact CD2-CG2 3.7Å; F118-T161 HydrophobicContact CE2-CG2 4.48Å; F118-T161 HydrophobicContact CG-CG2 4.13Å; L159-T161 VanDerWaalsContact C-N 3.28Å; L159-T161 WeakPolarHBondContact CB-O 3.38Å; L159-T161 PolarHBondContact O-N 2.92Å |
| 162 | T | 97.5 | Very high | 92.3 | Very high | 47 Ų | 47 | 66.5 Ų | 66.5 | 29% | 0.288 | 37% | 0.368 | S | S | . | . | trans | -64.3 | 148.5 | 170.4 | 45.8 | 0 | 0 | 0 | 0 | 110.9 | Y152 K156 V164 | Y152-T162 WeakPolarHBondContact O-CA 3.39Å; K156-T162 HydrophobicContact CB-CG2 4.1Å; T162-V164 PolarHBondContact O-N 3.26Å | ||
| 163 | L | 97.8 | Very high | 91.5 | Very high | 5 Ų | 5 | 72 Ų | 72 | 3% | 0.026 | 39% | 0.392 | C | S | . | . | trans | -72.4 | 126.2 | 171.9 | -56 | -177.5 | 0 | 0 | 0 | 109.6 | F100 L114 V116 I149 Y152 S153 L159 | F100-L163 HydrophobicContact CB-CD2 3.86Å; F100-L163 HydrophobicContact CD1-CB 3.78Å; F100-L163 HydrophobicContact CD1-CD2 4.06Å; F100-L163 HydrophobicContact CD1-CG 4.34Å; F100-L163 HydrophobicContact CD2-CD1 4.28Å; F100-L163 HydrophobicContact CD2-CD2 4.42Å; F100-L163 HydrophobicContact CE1-CB 3.77Å; F100-L163 HydrophobicContact CE2-CD1 4.28Å; F100-L163 HydrophobicContact CG-CB 4.37Å; F100-L163 HydrophobicContact CG-CD1 4.41Å; F100-L163 HydrophobicContact CG-CD2 3.86Å; F100-L163 HydrophobicContact CG-CG 4.44Å; F100-L163 HydrophobicContact CZ-CB 4.35Å; F100-L163 HydrophobicContact CZ-CD1 4.39Å; L114-L163 HydrophobicContact CD1-CD1 4.38Å; L114-L163 HydrophobicContact CD1-CD2 4.29Å; L114-L163 HydrophobicContact CD2-CD1 4.35Å; L114-L163 HydrophobicContact CD2-CD2 4.32Å; V116-L163 HydrophobicContact CG1-CD2 4.22Å; V116-L163 HydrophobicContact CG2-CD2 3.7Å; I149-L163 HydrophobicContact CB-CD1 4.42Å; I149-L163 HydrophobicContact CD1-CD1 3.47Å; I149-L163 VanDerWaalsContact CD1-CD1 3.47Å; I149-L163 HydrophobicContact CG1-CD1 4.5Å; I149-L163 HydrophobicContact CG2-CD1 4.12Å; Y152-L163 PolarHBondContact O-N 3.01Å; S153-L163 WeakPolarHBondContact CA-O 3.3Å; L159-L163 HydrophobicContact CD1-CD2 3.94Å; L159-L163 HydrophobicContact CD1-CG 4.14Å | ||
| 164 | V | 95.7 | Very high | 90.9 | Very high | 87 Ų | 87 | 70.8 Ų | 70.8 | 53% | 0.527 | 38% | 0.384 | S | S | . | . | trans | -117 | -60 | -175.1 | -178.3 | 0 | 0 | 0 | 0 | 110.5 | G98 T162 | G98-V164 PolarHBondContact O-N 3.29Å; T162-V164 PolarHBondContact O-N 3.26Å | ||
| 165 | T | 94.4 | Very high | 90.4 | Very high | 44 Ų | 44 | 63.9 Ų | 63.9 | 27% | 0.27 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 117 | -171.9 | -56.4 | 0 | 0 | 0 | 0 | 110.1 | G98 L99 F100 R167 | G98-T165 PolarHBondContact O-N 2.77Å; G98-T165 VanDerWaalsContact O-N 3.08Å; L99-T165 VanDerWaalsContact CA-O 3.31Å; L99-T165 WeakPolarHBondContact CA-O 3.45Å; L99-T165 HydrophobicContact CD1-CG2 3.84Å; L99-T165 WeakPolarHBondContact CD1-O 3.38Å; F100-T165 VanDerWaalsContact CD1-O 3.23Å; F100-T165 WeakPolarHBondContact CD1-O 3.19Å; F100-T165 PolarHBondContact N-O 2.85Å; T165-R167 PolarHBondContact O-N 2.66Å |
| 166 | P | 93.6 | Very high | 89.9 | Confident | 45 Ų | 45 | 65.4 Ų | 65.4 | 29% | 0.292 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 125.7 | 173.6 | 27.2 | -31.6 | 0 | 0 | 0 | 110.6 | W78 F100 K168 | W78-P166 HydrophobicContact CB-CB 3.84Å; W78-P166 HydrophobicContact CG-CB 4.34Å; F100-P166 HydrophobicContact CE1-CB 3.93Å; F100-P166 HydrophobicContact CE2-CB 4.33Å; F100-P166 HydrophobicContact CZ-CB 3.7Å; P166-K168 PolarHBondContact O-N 2.8Å; P166-K168 VanDerWaalsContact O-N 3.1Å |
| 167 | R | 94.5 | Very high | 89.4 | Confident | 100 Ų | 100 | 65.5 Ų | 65.5 | 38% | 0.377 | 36% | 0.358 | S | S | . | . | trans | -76.4 | 99.5 | 169.6 | -173.9 | 57.5 | 166.7 | 178.3 | -3.9 | 109.1 | H80 K91 L92 Q93 L99 F100 L101 T165 | H80-R167 PolarHBondContact NE2-O 3.37Å; K91-R167 WeakPolarHBondContact O-CD 3.39Å; K91-R167 WeakPolarHBondContact O-CG 3.21Å; K91-R167 PolarHBondContact O-NE 2.96Å; L92-R167 HydrophobicContact CD2-CB 3.97Å; L92-R167 HydrophobicContact CD2-CG 4.43Å; Q93-R167 PolarHBondContact O-NH2 2.93Å; L99-R167 HydrophobicContact CD1-CB 4.07Å; L99-R167 HydrophobicContact CG-CB 4.49Å; F100-R167 VanDerWaalsContact O-CB 3.28Å; F100-R167 WeakPolarHBondContact O-CB 3.44Å; F100-R167 PolarHBondContact O-N 3.28Å; L101-R167 HydrophobicContact CB-CB 4.27Å; L101-R167 HydrophobicContact CD2-CG 4.5Å; T165-R167 PolarHBondContact O-N 2.66Å | ||
| 168 | K | 89.6 | Confident | 89.1 | Confident | 125 Ų | 125 | 66.2 Ų | 66.2 | 54% | 0.543 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 136.3 | -179.2 | -58.7 | -175.5 | -178 | 177 | 0 | 111.3 | P77 P166 Q170 | P77-K168 HydrophobicContact CB-CG 4.28Å; P77-K168 CarbonylContact O-C 3.54Å; P77-K168 VanDerWaalsContact O-CA 3.3Å; P77-K168 WeakPolarHBondContact O-CA 3.39Å; P166-K168 PolarHBondContact O-N 2.8Å; P166-K168 VanDerWaalsContact O-N 3.1Å; K168-Q170 PolarHBondContact O-N 3.19Å |
| 169 | K | 86.1 | Confident | 88.8 | Confident | 104 Ų | 104 | 63.8 Ų | 63.8 | 45% | 0.452 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 132.9 | 168.4 | -176.9 | -179.8 | -177.5 | 177.3 | 0 | 108.8 | P77 G171 A172 | P77-K169 PolarHBondContact O-N 3Å; K169-G171 PolarHBondContact O-N 3.16Å; K169-A172 HydrophobicContact CB-CB 4Å; K169-A172 WeakPolarHBondContact O-CB 3.27Å; K169-A172 PolarHBondContact O-N 2.86Å |
| 170 | Q | 83.3 | Confident | 88.3 | Confident | 179 Ų | 179 | 66.8 Ų | 66.8 | 84% | 0.836 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 131.4 | -179.2 | -167.2 | 174.9 | 7.2 | 0 | 0 | 110 | K168 A172 | K168-Q170 PolarHBondContact O-N 3.19Å; Q170-A172 VanDerWaalsContact C-N 3.26Å; Q170-A172 PolarHBondContact O-N 2.77Å |
| 171 | G | 77.4 | Confident | 87.7 | Confident | 64 Ų | 64 | 70.7 Ų | 70.7 | 66% | 0.66 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80 | -3.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | K169 | K169-G171 PolarHBondContact O-N 3.16Š|
| 172 | A | 77 | Confident | 87.2 | Confident | 24 Ų | 24 | 69.7 Ų | 69.7 | 20% | 0.198 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 126.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | G72 K169 Q170 | G72-A172 CarbonylContact O-C 3.55Å; G72-A172 VanDerWaalsContact O-CA 3.29Å; G72-A172 WeakPolarHBondContact O-CA 3.3Å; K169-A172 HydrophobicContact CB-CB 4Å; K169-A172 WeakPolarHBondContact O-CB 3.27Å; K169-A172 PolarHBondContact O-N 2.86Å; Q170-A172 VanDerWaalsContact C-N 3.26Å; Q170-A172 PolarHBondContact O-N 2.77Å |
| 173 | K | 79.3 | Confident | 86.7 | Confident | 115 Ų | 115 | 68.1 Ų | 68.1 | 50% | 0.5 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 143.7 | 168.9 | -63 | 177.9 | -171.4 | 163.3 | 0 | 108.8 | D70 G72 L73 S74 A175 | D70-K173 WeakPolarHBondContact OD2-CD 3.29Å; D70-K173 WeakPolarHBondContact OD2-CE 3.4Å; D70-K173 IonicContact OD2-NZ 3.07Å; D70-K173 PolarHBondContact OD2-NZ 3.45Å; G72-K173 PolarHBondContact O-N 2.85Å; L73-K173 HydrophobicContact CD2-CB 4.4Å; S74-K173 PolarHBondContact N-O 3.35Å; K173-A175 PolarHBondContact O-N 3.12Å |
| 174 | S | 82.7 | Confident | 86.4 | Confident | 27 Ų | 27 | 68.2 Ų | 68.2 | 19% | 0.189 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 118.4 | 177.5 | 173 | 0 | 0 | 0 | 0 | 110.1 | E176 Q177 E178 | S174-E176 VanDerWaalsContact C-N 3.3Å; S174-E176 PolarHBondContact OG-N 2.66Å; S174-Q177 PolarHBondContact O-N 2.89Å; S174-Q177 PolarHBondContact OG-N 3.48Å; S174-E178 PolarHBondContact O-N 2.96Å; S174-E178 VanDerWaalsContact O-N 3.16Å |
| 175 | A | 82.4 | Confident | 86.1 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.3 | -37.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L73 S74 L75 K173 Q177 E178 L179 M230 | L73-A175 HydrophobicContact CB-CB 4.46Å; L73-A175 HydrophobicContact CD2-CB 4.24Å; S74-A175 PolarHBondContact O-N 2.82Å; L75-A175 HydrophobicContact CD2-CB 3.72Å; L75-A175 HydrophobicContact CG-CB 3.84Å; K173-A175 PolarHBondContact O-N 3.12Å; A175-Q177 PolarHBondContact O-N 3.01Å; A175-E178 PolarHBondContact O-N 3.46Å; A175-L179 VanDerWaalsContact O-CB 3.31Å; A175-L179 WeakPolarHBondContact O-CB 3.29Å; A175-L179 WeakPolarHBondContact O-CD1 3.5Å; A175-L179 WeakPolarHBondContact O-CG 3.38Å; A175-L179 PolarHBondContact O-N 3.34Å; A175-M230 HydrophobicContact CB-CE 3.74Å; A175-M230 HydrophobicContact CB-SD 3.79Å |
| 176 | E | 83.5 | Confident | 86 | Confident | 108 Ų | 108 | 65.3 Ų | 65.3 | 51% | 0.505 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.8 | -45.8 | 175.8 | -179.9 | -174.3 | 173.5 | 0 | 0 | 112.2 | S174 E178 L179 S180 L185 L252 | S174-E176 VanDerWaalsContact C-N 3.3Å; S174-E176 PolarHBondContact OG-N 2.66Å; E176-E178 VanDerWaalsContact C-N 3.35Å; E176-E178 PolarHBondContact O-N 2.84Å; E176-L179 PolarHBondContact O-N 3.39Å; E176-S180 WeakPolarHBondContact O-CB 3.08Å; E176-S180 PolarHBondContact O-N 2.88Å; E176-L185 HydrophobicContact CG-CD2 3.9Å; E176-L252 HydrophobicContact CB-CD1 3.76Å; E176-L252 HydrophobicContact CG-CD1 3.96Å |
| 177 | Q | 84 | Confident | 85.7 | Confident | 130 Ų | 130 | 66.4 Ų | 66.4 | 61% | 0.607 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64.7 | -40.7 | 178.5 | -70.5 | 178.9 | -27.4 | 0 | 0 | 111.5 | S174 A175 S180 K181 | S174-Q177 PolarHBondContact O-N 2.89Å; S174-Q177 PolarHBondContact OG-N 3.48Å; A175-Q177 PolarHBondContact O-N 3.01Å; Q177-S180 PolarHBondContact O-N 2.91Å; Q177-K181 VanDerWaalsContact O-CB 3.23Å; Q177-K181 WeakPolarHBondContact O-CB 3.27Å; Q177-K181 PolarHBondContact O-N 2.96Å |
| 178 | E | 85.9 | Confident | 85.4 | Confident | 54 Ų | 54 | 64.1 Ų | 64.1 | 25% | 0.252 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.1 | -41.8 | 177.6 | -166.6 | 63.4 | -160.8 | 0 | 0 | 111.4 | L67 L73 S174 A175 E176 S180 K181 T182 | L67-E178 HydrophobicContact CD2-CG 4.12Å; L73-E178 HydrophobicContact CD2-CB 3.56Å; L73-E178 HydrophobicContact CD2-CG 3.96Å; S174-E178 PolarHBondContact O-N 2.96Å; S174-E178 VanDerWaalsContact O-N 3.16Å; A175-E178 PolarHBondContact O-N 3.46Å; E176-E178 VanDerWaalsContact C-N 3.35Å; E176-E178 PolarHBondContact O-N 2.84Å; E178-S180 PolarHBondContact O-N 3.08Å; E178-K181 PolarHBondContact O-N 2.82Å; E178-T182 HydrophobicContact CG-CG2 4.43Å; E178-T182 WeakPolarHBondContact O-CB 3.42Å; E178-T182 WeakPolarHBondContact O-CG2 3.36Å; E178-T182 PolarHBondContact O-N 2.91Å; E178-T182 PolarHBondContact O-OG1 3.48Å |
| 179 | L | 87.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 174.5 | -74.7 | 164.5 | 0 | 0 | 0 | 111.7 | L67 L75 A175 E176 T182 G183 W184 L185 M230 T233 V250 L252 | L67-L179 HydrophobicContact CD1-CD2 3.45Å; L67-L179 VanDerWaalsContact CD1-CD2 3.45Å; L67-L179 HydrophobicContact CD2-CD2 4.04Å; L67-L179 HydrophobicContact CD2-CG 4.48Å; L67-L179 HydrophobicContact CG-CD2 4.25Å; L75-L179 HydrophobicContact CD2-CD1 4.49Å; A175-L179 VanDerWaalsContact O-CB 3.31Å; A175-L179 WeakPolarHBondContact O-CB 3.29Å; A175-L179 WeakPolarHBondContact O-CD1 3.5Å; A175-L179 WeakPolarHBondContact O-CG 3.38Å; A175-L179 PolarHBondContact O-N 3.34Å; E176-L179 PolarHBondContact O-N 3.39Å; L179-T182 WeakPolarHBondContact CA-OG1 3.17Å; L179-T182 PolarHBondContact O-N 3.43Å; L179-T182 PolarHBondContact O-OG1 3.08Å; L179-G183 PolarHBondContact O-N 2.69Å; L179-W184 HydrophobicContact CD2-CB 3.72Å; L179-W184 PolarHBondContact O-N 2.82Å; L179-L185 HydrophobicContact CB-CB 3.95Å; L179-L185 PolarHBondContact O-N 3.03Å; L179-L185 VanDerWaalsContact O-N 3.09Å; L179-M230 HydrophobicContact CD1-SD 4.42Å; L179-T233 HydrophobicContact CD2-CG2 4.34Å; L179-V250 HydrophobicContact CD1-CG2 3.76Å; L179-V250 HydrophobicContact CD2-CG2 3.68Å; L179-V250 HydrophobicContact CG-CG2 4.22Å; L179-L252 HydrophobicContact CD1-CD1 3.99Å |
| 180 | S | 86.9 | Confident | 85.6 | Confident | 70 Ų | 70 | 62.9 Ų | 62.9 | 49% | 0.49 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64 | -49.1 | 175.2 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | E176 Q177 E178 T182 G183 | E176-S180 WeakPolarHBondContact O-CB 3.08Å; E176-S180 PolarHBondContact O-N 2.88Å; Q177-S180 PolarHBondContact O-N 2.91Å; E178-S180 PolarHBondContact O-N 3.08Å; S180-T182 VanDerWaalsContact C-N 3.3Å; S180-T182 PolarHBondContact O-N 2.73Å; S180-G183 PolarHBondContact O-N 3.06Å; S180-G183 VanDerWaalsContact O-N 3.09Å |
| 181 | K | 85.3 | Confident | 86 | Confident | 131 Ų | 131 | 55.4 Ų | 55.4 | 57% | 0.57 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -59.4 | -39.6 | 177.6 | -178.6 | -172 | 169.1 | -159 | 0 | 112 | R62 Q177 E178 G183 | R62-K181 PolarHBondContact NH1-O 3.28Å; R62-K181 PolarHBondContact NH2-O 3.08Å; Q177-K181 VanDerWaalsContact O-CB 3.23Å; Q177-K181 WeakPolarHBondContact O-CB 3.27Å; Q177-K181 PolarHBondContact O-N 2.96Å; E178-K181 PolarHBondContact O-N 2.82Å; K181-G183 VanDerWaalsContact C-N 3.32Å |
| 182 | T | 86.9 | Confident | 86.8 | Confident | 4 Ų | 4 | 57.7 Ų | 57.7 | 3% | 0.025 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -83.3 | -8 | -179.8 | 50.7 | 0 | 0 | 0 | 0 | 113.2 | R64 E65 L67 E178 L179 S180 W184 | R64-T182 WeakPolarHBondContact CG-O 3.48Å; E65-T182 HydrophobicContact CB-CG2 4.46Å; L67-T182 HydrophobicContact CD2-CG2 4.49Å; E178-T182 HydrophobicContact CG-CG2 4.43Å; E178-T182 WeakPolarHBondContact O-CB 3.42Å; E178-T182 WeakPolarHBondContact O-CG2 3.36Å; E178-T182 PolarHBondContact O-N 2.91Å; E178-T182 PolarHBondContact O-OG1 3.48Å; L179-T182 WeakPolarHBondContact CA-OG1 3.17Å; L179-T182 PolarHBondContact O-N 3.43Å; L179-T182 PolarHBondContact O-OG1 3.08Å; S180-T182 VanDerWaalsContact C-N 3.3Å; S180-T182 PolarHBondContact O-N 2.73Å; T182-W184 VanDerWaalsContact OG1-CD1 3.31Å |
| 183 | G | 86.8 | Confident | 87.6 | Confident | 14 Ų | 14 | 60.7 Ų | 60.7 | 14% | 0.144 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 24.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R64 L179 S180 K181 | R64-G183 PolarHBondContact NE-O 3.27Å; R64-G183 PolarHBondContact NH2-O 2.89Å; L179-G183 PolarHBondContact O-N 2.69Å; S180-G183 PolarHBondContact O-N 3.06Å; S180-G183 VanDerWaalsContact O-N 3.09Å; K181-G183 VanDerWaalsContact C-N 3.32Å |
| 184 | W | 91.4 | Very high | 88.3 | Confident | 8 Ų | 8 | 57 Ų | 57 | 3% | 0.03 | 31% | 0.307 | C | S | . | . | trans | -97.7 | -20.3 | 174.3 | -67.4 | 107.3 | 0 | 0 | 0 | 112.9 | R64 E65 L179 T182 L186 T237 L247 G249 V250 | R64-W184 HydrophobicContact CG-CZ2 4.1Å; E65-W184 PolarHBondContact O-NE1 3.09Å; L179-W184 HydrophobicContact CD2-CB 3.72Å; L179-W184 PolarHBondContact O-N 2.82Å; T182-W184 VanDerWaalsContact OG1-CD1 3.31Å; W184-L186 PolarHBondContact O-N 2.93Å; W184-T237 HydrophobicContact CD2-CG2 3.45Å; W184-T237 VanDerWaalsContact CD2-CG2 3.45Å; W184-T237 HydrophobicContact CE3-CG2 3.9Å; W184-T237 HydrophobicContact CG-CG2 3.81Å; W184-T237 HydrophobicContact CH2-CG2 4.19Å; W184-T237 HydrophobicContact CZ2-CG2 3.77Å; W184-T237 HydrophobicContact CZ3-CG2 4.24Å; W184-L247 HydrophobicContact CE3-CD2 3.68Å; W184-L247 HydrophobicContact CE3-CG 4.07Å; W184-L247 HydrophobicContact CZ3-CB 4.19Å; W184-L247 HydrophobicContact CZ3-CD2 3.67Å; W184-L247 HydrophobicContact CZ3-CG 3.84Å; W184-G249 CarbonylContact O-C 3.49Å; W184-G249 VanDerWaalsContact O-CA 3.3Å; W184-G249 WeakPolarHBondContact O-CA 3.27Å; W184-V250 PolarHBondContact O-N 3.46Å | ||
| 185 | L | 90.3 | Very high | 88.8 | Confident | 47 Ų | 47 | 61.9 Ų | 61.9 | 25% | 0.246 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -75.6 | 119 | 172.7 | -168.9 | 65.5 | 0 | 0 | 0 | 110.3 | E176 L179 L252 | E176-L185 HydrophobicContact CG-CD2 3.9Å; L179-L185 HydrophobicContact CB-CB 3.95Å; L179-L185 PolarHBondContact O-N 3.03Å; L179-L185 VanDerWaalsContact O-N 3.09Å; L185-L252 HydrophobicContact CD1-CB 4.14Å; L185-L252 HydrophobicContact CD1-CD1 3.83Å; L185-L252 HydrophobicContact CD1-CG 3.68Å |
| 186 | L | 90.9 | Very high | 89.3 | Confident | 23 Ų | 23 | 65.6 Ų | 65.6 | 12% | 0.12 | 35% | 0.346 | C | S | . | . | trans | -94.6 | 153.3 | 177.4 | -58.3 | -178.1 | 0 | 0 | 0 | 110.9 | W184 Y210 V250 I251 V259 | W184-L186 PolarHBondContact O-N 2.93Å; L186-Y210 HydrophobicContact CB-CE2 3.84Å; L186-Y210 HydrophobicContact CD1-CE1 4.33Å; L186-Y210 HydrophobicContact CD1-CE2 4.29Å; L186-Y210 HydrophobicContact CD2-CE1 4.04Å; L186-Y210 HydrophobicContact CG-CE2 4.49Å; L186-V250 PolarHBondContact N-O 2.94Å; L186-I251 HydrophobicContact CB-CD1 4.31Å; L186-I251 HydrophobicContact CB-CG1 3.69Å; L186-V259 HydrophobicContact CD1-CB 3.85Å; L186-V259 HydrophobicContact CD1-CG1 4.13Å; L186-V259 HydrophobicContact CD1-CG2 3.94Å | ||
| 187 | D | 87.9 | Confident | 89.6 | Confident | 68 Ų | 68 | 64.3 Ų | 64.3 | 36% | 0.364 | 34% | 0.342 | S | S | . | . | trans | -85.8 | 112.5 | 179.5 | -177.9 | -9.5 | 0 | 0 | 0 | 110.2 | T189 K190 Y210 | D187-T189 PolarHBondContact O-N 3.31Å; D187-T189 VanDerWaalsContact O-N 3.12Å; D187-T189 WeakPolarHBondContact OD1-CB 3.47Å; D187-T189 WeakPolarHBondContact OD1-CG2 3.46Å; D187-T189 PolarHBondContact OD1-N 2.87Å; D187-T189 PolarHBondContact OD1-OG1 2.96Å; D187-T189 PolarHBondContact OD2-OG1 3.23Å; D187-K190 HydrophobicContact CB-CD 4.16Å; D187-K190 HydrophobicContact CB-CG 4.1Å; D187-K190 PolarHBondContact O-N 2.71Å; D187-Y210 PolarHBondContact N-OH 3.37Å; D187-Y210 WeakPolarHBondContact O-CE2 3.3Å | ||
| 188 | I | 88.9 | Confident | 89.6 | Confident | 51 Ų | 51 | 59.4 Ų | 59.4 | 26% | 0.262 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -55.8 | -30.5 | -179.5 | -174.2 | 63.3 | 0 | 0 | 0 | 112.9 | K190 L191 I251 H253 | I188-K190 PolarHBondContact O-N 3.27Å; I188-K190 VanDerWaalsContact O-N 3.12Å; I188-L191 HydrophobicContact CD1-CB 4.31Å; I188-L191 HydrophobicContact CD1-CD2 3.99Å; I188-L191 PolarHBondContact O-N 2.95Å; I188-I251 HydrophobicContact CB-CG2 3.77Å; I188-I251 HydrophobicContact CD1-CD1 4.23Å; I188-I251 HydrophobicContact CD1-CG2 3.76Å; I188-I251 HydrophobicContact CG1-CG2 4.19Å; I188-H253 HydrophobicContact CB-CB 3.97Å; I188-H253 HydrophobicContact CD1-CB 4.45Å; I188-H253 HydrophobicContact CG1-CB 3.94Å; I188-H253 HydrophobicContact CG2-CB 4.05Å |
| 189 | T | 88.9 | Confident | 89.3 | Confident | 117 Ų | 117 | 63.5 Ų | 63.5 | 72% | 0.718 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -66.7 | -16.2 | -178.1 | 67.1 | 0 | 0 | 0 | 0 | 113 | D187 | D187-T189 PolarHBondContact O-N 3.31Å; D187-T189 VanDerWaalsContact O-N 3.12Å; D187-T189 WeakPolarHBondContact OD1-CB 3.47Å; D187-T189 WeakPolarHBondContact OD1-CG2 3.46Å; D187-T189 PolarHBondContact OD1-N 2.87Å; D187-T189 PolarHBondContact OD1-OG1 2.96Å; D187-T189 PolarHBondContact OD2-OG1 3.23Å |
| 190 | K | 89.5 | Confident | 88.3 | Confident | 86 Ų | 86 | 65.7 Ų | 65.7 | 37% | 0.374 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -96.7 | -1.3 | 177.4 | -53.9 | -173.1 | -176.8 | -176 | 0 | 113.3 | D187 I188 Y210 M211 | D187-K190 HydrophobicContact CB-CD 4.16Å; D187-K190 HydrophobicContact CB-CG 4.1Å; D187-K190 PolarHBondContact O-N 2.71Å; I188-K190 PolarHBondContact O-N 3.27Å; I188-K190 VanDerWaalsContact O-N 3.12Å; K190-Y210 HydrophobicContact CB-CD2 4.2Å; K190-Y210 HydrophobicContact CB-CE2 3.78Å; K190-M211 HydrophobicContact CB-CG 3.91Å; K190-M211 HydrophobicContact CD-CG 3.66Å; K190-M211 HydrophobicContact CD-SD 3.55Å; K190-M211 VanDerWaalsContact CD-SD 3.55Å; K190-M211 HydrophobicContact CG-CG 4.37Å; K190-M211 PolarHBondContact O-N 2.99Å |
| 191 | L | 92.7 | Very high | 87.1 | Confident | 22 Ų | 22 | 69.6 Ų | 69.6 | 12% | 0.115 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 125.9 | 176.7 | 179.5 | 68.4 | 0 | 0 | 0 | 110.2 | I188 L193 E209 Y210 V215 V217 I251 | I188-L191 HydrophobicContact CD1-CB 4.31Å; I188-L191 HydrophobicContact CD1-CD2 3.99Å; I188-L191 PolarHBondContact O-N 2.95Å; L191-L193 HydrophobicContact CD2-CD1 4.4Å; L191-E209 WeakPolarHBondContact CA-O 3.44Å; L191-Y210 HydrophobicContact CB-CD2 4.15Å; L191-V215 HydrophobicContact CD1-CG2 4.01Å; L191-V217 HydrophobicContact CD1-CG2 3.96Å; L191-V217 HydrophobicContact CD2-CG1 4.43Å; L191-V217 HydrophobicContact CD2-CG2 4.15Å; L191-I251 HydrophobicContact CB-CD1 4.17Å; L191-I251 HydrophobicContact CD2-CD1 3.6Å; L191-I251 HydrophobicContact CG-CD1 4.4Å |
| 192 | I | 94.6 | Very high | 86.1 | Confident | 112 Ų | 112 | 66.8 Ų | 66.8 | 57% | 0.574 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 109.8 | 165 | -56 | 173.4 | 0 | 0 | 0 | 107 | G208 E209 | I192-G208 CarbonylContact O-C 3.56Å; I192-G208 WeakPolarHBondContact O-CA 3.19Å; I192-E209 HydrophobicContact CB-CB 4.44Å; I192-E209 PolarHBondContact N-O 3.48Å; I192-E209 PolarHBondContact O-N 3.11Å |
| 193 | L | 93.1 | Very high | 85.6 | Confident | 87 Ų | 87 | 66.7 Ų | 66.7 | 46% | 0.455 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 132.1 | 177.2 | -162.4 | 70.3 | 0 | 0 | 0 | 109.8 | L191 Y206 V217 | L191-L193 HydrophobicContact CD2-CD1 4.4Å; L193-Y206 HydrophobicContact CD1-CD2 4.49Å; L193-Y206 HydrophobicContact CD1-CG 4.03Å; L193-Y206 HydrophobicContact CD2-CD1 4.33Å; L193-Y206 HydrophobicContact CD2-CG 4.24Å; L193-Y206 HydrophobicContact CG-CD1 4.4Å; L193-Y206 HydrophobicContact CG-CG 4.21Å; L193-V217 HydrophobicContact CD1-CB 3.94Å; L193-V217 HydrophobicContact CD1-CG1 4.11Å; L193-V217 HydrophobicContact CD1-CG2 4.04Å |
| 194 | G | 93.6 | Very high | 85.4 | Confident | 39 Ų | 39 | 66.2 Ų | 66.2 | 40% | 0.402 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | -146.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R207 | G194-R207 CarbonylContact C-O 3.56Å; G194-R207 WeakPolarHBondContact CA-O 3.37Å; G194-R207 PolarHBondContact N-O 2.91Å |
| 195 | E | 93.3 | Very high | 85.3 | Confident | 129 Ų | 129 | 67.8 Ų | 67.8 | 60% | 0.603 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 155 | -175.9 | 70.7 | -158 | 161.5 | 0 | 0 | 113.7 | I197 Y206 R207 | E195-I197 HydrophobicContact CG-CG2 4Å; E195-I197 PolarHBondContact O-N 3.25Å; E195-Y206 CarbonylContact O-C 3.47Å; E195-Y206 VanDerWaalsContact O-CA 3.32Å; E195-Y206 WeakPolarHBondContact O-CA 3.43Å; E195-R207 HydrophobicContact CG-CB 4.28Å; E195-R207 PolarHBondContact O-N 2.8Å |
| 196 | N | 92.8 | Very high | 85.5 | Confident | 78 Ų | 78 | 68.6 Ų | 68.6 | 42% | 0.417 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 123.6 | 170.4 | -176 | -27.9 | 0 | 0 | 0 | 109.2 | G198 V205 Y206 | N196-G198 PolarHBondContact OD1-N 2.76Å; N196-G198 PolarHBondContact OD1-O 2.77Å; N196-V205 PolarHBondContact OD1-O 3.02Å; N196-Y206 HydrophobicContact CB-CD1 3.99Å; N196-Y206 HydrophobicContact CB-CE1 3.8Å |
| 197 | I | 90.6 | Very high | 85.7 | Confident | 81 Ų | 81 | 72.2 Ų | 72.2 | 42% | 0.415 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | -1.8 | -178.9 | 58.5 | 170.3 | 0 | 0 | 0 | 113.1 | E195 V205 R207 L262 | E195-I197 HydrophobicContact CG-CG2 4Å; E195-I197 PolarHBondContact O-N 3.25Å; I197-V205 HydrophobicContact CD1-CG1 4.01Å; I197-V205 HydrophobicContact CG1-CB 4.27Å; I197-V205 HydrophobicContact CG1-CG1 3.93Å; I197-V205 VanDerWaalsContact CG1-O 3.28Å; I197-V205 WeakPolarHBondContact CG1-O 3.43Å; I197-V205 PolarHBondContact N-O 3.17Å; I197-R207 HydrophobicContact CD1-CB 4.47Å; I197-R207 HydrophobicContact CG2-CB 3.77Å; I197-L262 HydrophobicContact CD1-CD1 3.88Å |
| 198 | G | 83.5 | Confident | 86.1 | Confident | 27 Ų | 27 | 69 Ų | 69 | 28% | 0.278 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.6 | 148.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N196 A204 V205 | N196-G198 PolarHBondContact OD1-N 2.76Å; N196-G198 PolarHBondContact OD1-O 2.77Å; G198-A204 CarbonylContact O-C 3.54Å; G198-V205 PolarHBondContact N-O 3.23Å; G198-V205 PolarHBondContact O-N 3.1Å |
| 199 | E | 79.8 | Confident | 86.3 | Confident | 139 Ų | 139 | 70.4 Ų | 70.4 | 65% | 0.65 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 132.2 | 171.7 | -172.3 | 165.1 | -156.9 | 0 | 0 | 109.1 | K221 | E199-K221 IonicContact OE1-NZ 2.68Å; E199-K221 PolarHBondContact OE1-NZ 3.04Å |
| 200 | G | 66.4 | Low | 86.4 | Confident | 46 Ų | 46 | 66.3 Ų | 66.3 | 47% | 0.474 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | -176.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F202 G203 | G200-F202 PolarHBondContact O-N 3.45Å; G200-G203 PolarHBondContact N-O 3.35Å; G200-G203 PolarHBondContact O-N 2.99Å; G200-G203 VanDerWaalsContact O-N 3.14Å |
| 201 | E | 62.1 | Low | 86.2 | Confident | 153 Ų | 153 | 65.7 Ų | 65.7 | 72% | 0.715 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -34 | -179.1 | -173.5 | 173 | -177.5 | 0 | 0 | 112.5 | ||
| 202 | F | 64.6 | Low | 85.7 | Confident | 71 Ų | 71 | 67.3 Ų | 67.3 | 31% | 0.311 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -3.6 | -176.1 | -54.7 | -69.8 | 0 | 0 | 0 | 114.2 | G200 K221 | G200-F202 PolarHBondContact O-N 3.45Å; F202-K221 PolarHBondContact O-N 2.74Å |
| 203 | G | 74.9 | Confident | 85.3 | Confident | 3 Ų | 3 | 63.9 Ų | 63.9 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 133 | -167.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | G200 T219 | G200-G203 PolarHBondContact N-O 3.35Å; G200-G203 PolarHBondContact O-N 2.99Å; G200-G203 VanDerWaalsContact O-N 3.14Å; G203-T219 WeakPolarHBondContact CA-O 3.15Å |
| 204 | A | 83.8 | Confident | 85.3 | Confident | 3 Ų | 3 | 62.4 Ų | 62.4 | 3% | 0.025 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 147.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111 | G198 Y206 T219 | G198-A204 CarbonylContact O-C 3.54Å; A204-Y206 HydrophobicContact CB-CD2 4.38Å; A204-Y206 HydrophobicContact CB-CE2 3.58Å; A204-T219 PolarHBondContact O-N 3.04Å; A204-T219 PolarHBondContact O-OG1 3.14Å |
| 205 | V | 90.2 | Very high | 85.4 | Confident | 42 Ų | 42 | 60.6 Ų | 60.6 | 26% | 0.255 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 125.3 | 176 | -172.6 | 0 | 0 | 0 | 0 | 107.8 | N196 I197 G198 A216 V217 K218 | N196-V205 PolarHBondContact OD1-O 3.02Å; I197-V205 HydrophobicContact CD1-CG1 4.01Å; I197-V205 HydrophobicContact CG1-CB 4.27Å; I197-V205 HydrophobicContact CG1-CG1 3.93Å; I197-V205 VanDerWaalsContact CG1-O 3.28Å; I197-V205 WeakPolarHBondContact CG1-O 3.43Å; I197-V205 PolarHBondContact N-O 3.17Å; G198-V205 PolarHBondContact N-O 3.23Å; G198-V205 PolarHBondContact O-N 3.1Å; V205-A216 HydrophobicContact CG1-CB 4.28Å; V205-V217 CarbonylContact C-O 3.57Å; V205-V217 WeakPolarHBondContact CA-O 3.49Å; V205-K218 HydrophobicContact CG2-CB 4.28Å; V205-K218 HydrophobicContact CG2-CG 4.19Å |
| 206 | Y | 93.2 | Very high | 85.5 | Confident | 64 Ų | 64 | 54.9 Ų | 54.9 | 25% | 0.251 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 146.8 | 179.7 | -63.4 | -94.4 | 0 | 0 | 0 | 110.4 | L193 E195 N196 A204 A216 V217 T219 | L193-Y206 HydrophobicContact CD1-CD2 4.49Å; L193-Y206 HydrophobicContact CD1-CG 4.03Å; L193-Y206 HydrophobicContact CD2-CD1 4.33Å; L193-Y206 HydrophobicContact CD2-CG 4.24Å; L193-Y206 HydrophobicContact CG-CD1 4.4Å; L193-Y206 HydrophobicContact CG-CG 4.21Å; E195-Y206 CarbonylContact O-C 3.47Å; E195-Y206 VanDerWaalsContact O-CA 3.32Å; E195-Y206 WeakPolarHBondContact O-CA 3.43Å; N196-Y206 HydrophobicContact CB-CD1 3.99Å; N196-Y206 HydrophobicContact CB-CE1 3.8Å; A204-Y206 HydrophobicContact CB-CD2 4.38Å; A204-Y206 HydrophobicContact CB-CE2 3.58Å; Y206-A216 CarbonylContact O-C 3.55Å; Y206-A216 WeakPolarHBondContact O-CA 3.29Å; Y206-V217 PolarHBondContact N-O 2.9Å; Y206-V217 PolarHBondContact O-N 2.8Å; Y206-T219 HydrophobicContact CE2-CG2 4.48Å; Y206-T219 WeakPolarHBondContact CE2-OG1 3.25Å |
| 207 | R | 95.6 | Very high | 85.5 | Confident | 98 Ų | 98 | 51.1 Ų | 51.1 | 37% | 0.37 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 142.6 | 160.1 | -174.5 | 178.6 | -173.5 | -80.5 | -0.4 | 107.8 | G194 E195 I197 M214 L262 | G194-R207 CarbonylContact C-O 3.56Å; G194-R207 WeakPolarHBondContact CA-O 3.37Å; G194-R207 PolarHBondContact N-O 2.91Å; E195-R207 HydrophobicContact CG-CB 4.28Å; E195-R207 PolarHBondContact O-N 2.8Å; I197-R207 HydrophobicContact CD1-CB 4.47Å; I197-R207 HydrophobicContact CG2-CB 3.77Å; R207-M214 HydrophobicContact CG-CE 3.57Å; R207-M214 PolarHBondContact NH2-SD 2.98Å; R207-L262 HydrophobicContact CG-CD2 4.13Å |
| 208 | G | 95.6 | Very high | 85.4 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 173.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I192 M214 V215 | I192-G208 CarbonylContact O-C 3.56Å; I192-G208 WeakPolarHBondContact O-CA 3.19Å; G208-M214 WeakPolarHBondContact O-CE 3.43Å; G208-V215 PolarHBondContact N-O 3.43Å; G208-V215 WeakPolarHBondContact O-CG2 3.47Å; G208-V215 PolarHBondContact O-N 3.35Å |
| 209 | E | 94 | Very high | 85.4 | Confident | 80 Ų | 80 | 48.9 Ų | 48.9 | 37% | 0.374 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 126 | 173.5 | -171.5 | -173 | 135.1 | 0 | 0 | 108.9 | L191 I192 G212 Q213 M214 | L191-E209 WeakPolarHBondContact CA-O 3.44Å; I192-E209 HydrophobicContact CB-CB 4.44Å; I192-E209 PolarHBondContact N-O 3.48Å; I192-E209 PolarHBondContact O-N 3.11Å; E209-G212 VanDerWaalsContact OE1-CA 3.32Å; E209-G212 WeakPolarHBondContact OE1-CA 3.31Å; E209-Q213 CarbonylContact C-O 3.49Å; E209-Q213 WeakPolarHBondContact CA-O 3.27Å; E209-M214 HydrophobicContact CB-SD 4.42Å |
| 210 | Y | 91 | Very high | 85.2 | Confident | 30 Ų | 30 | 43 Ų | 43 | 12% | 0.118 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 113.5 | 176.7 | -175 | -95.4 | 0 | 0 | 0 | 109.3 | L186 D187 K190 L191 G212 Q213 | L186-Y210 HydrophobicContact CB-CE2 3.84Å; L186-Y210 HydrophobicContact CD1-CE1 4.33Å; L186-Y210 HydrophobicContact CD1-CE2 4.29Å; L186-Y210 HydrophobicContact CD2-CE1 4.04Å; L186-Y210 HydrophobicContact CG-CE2 4.49Å; D187-Y210 PolarHBondContact N-OH 3.37Å; D187-Y210 WeakPolarHBondContact O-CE2 3.3Å; K190-Y210 HydrophobicContact CB-CD2 4.2Å; K190-Y210 HydrophobicContact CB-CE2 3.78Å; L191-Y210 HydrophobicContact CB-CD2 4.15Å; Y210-G212 VanDerWaalsContact C-N 3.29Å; Y210-G212 PolarHBondContact O-N 2.72Å; Y210-Q213 PolarHBondContact N-O 2.72Å; Y210-Q213 PolarHBondContact O-N 2.75Å |
| 211 | M | 85.6 | Confident | 85.2 | Confident | 73 Ų | 73 | 46.1 Ų | 46.1 | 36% | 0.36 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 44 | -177.9 | -62.3 | -177.1 | 57.3 | 0 | 0 | 113.6 | K190 Q213 | K190-M211 HydrophobicContact CB-CG 3.91Å; K190-M211 HydrophobicContact CD-CG 3.66Å; K190-M211 HydrophobicContact CD-SD 3.55Å; K190-M211 VanDerWaalsContact CD-SD 3.55Å; K190-M211 HydrophobicContact CG-CG 4.37Å; K190-M211 PolarHBondContact O-N 2.99Å; M211-Q213 VanDerWaalsContact C-N 3.25Å; M211-Q213 PolarHBondContact O-N 3.27Å |
| 212 | G | 81.7 | Confident | 84.9 | Confident | 57 Ų | 57 | 40 Ų | 40 | 59% | 0.588 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | -9.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | E209 Y210 | E209-G212 VanDerWaalsContact OE1-CA 3.32Å; E209-G212 WeakPolarHBondContact OE1-CA 3.31Å; Y210-G212 VanDerWaalsContact C-N 3.29Å; Y210-G212 PolarHBondContact O-N 2.72Å |
| 213 | Q | 86.5 | Confident | 84.2 | Confident | 39 Ų | 39 | 37.3 Ų | 37.3 | 18% | 0.182 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 133.5 | 177.1 | 173.2 | 167.9 | 22.7 | 0 | 0 | 111.3 | T49 E209 Y210 M211 V215 | T49-Q213 HydrophobicContact CG2-CB 3.75Å; T49-Q213 PolarHBondContact OG1-OE1 3.17Å; E209-Q213 CarbonylContact C-O 3.49Å; E209-Q213 WeakPolarHBondContact CA-O 3.27Å; Y210-Q213 PolarHBondContact N-O 2.72Å; Y210-Q213 PolarHBondContact O-N 2.75Å; M211-Q213 VanDerWaalsContact C-N 3.25Å; M211-Q213 PolarHBondContact O-N 3.27Å; Q213-V215 HydrophobicContact CG-CG1 4.34Å |
| 214 | M | 92.9 | Very high | 83.1 | Confident | 57 Ų | 57 | 42.8 Ų | 42.8 | 28% | 0.281 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 129.6 | 172.4 | -71.5 | -53.8 | -40.4 | 0 | 0 | 111.8 | R207 G208 E209 L262 | R207-M214 HydrophobicContact CG-CE 3.57Å; R207-M214 PolarHBondContact NH2-SD 2.98Å; G208-M214 WeakPolarHBondContact O-CE 3.43Å; E209-M214 HydrophobicContact CB-SD 4.42Å; M214-L262 HydrophobicContact CB-CB 4.37Å; M214-L262 HydrophobicContact CB-CD2 3.97Å; M214-L262 HydrophobicContact CE-CD2 3.77Å |
| 215 | V | 95 | Very high | 82 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 159 | -175.5 | -58.1 | 0 | 0 | 0 | 0 | 112.4 | L191 G208 Q213 V217 L248 V259 T260 | L191-V215 HydrophobicContact CD1-CG2 4.01Å; G208-V215 PolarHBondContact N-O 3.43Å; G208-V215 WeakPolarHBondContact O-CG2 3.47Å; G208-V215 PolarHBondContact O-N 3.35Å; Q213-V215 HydrophobicContact CG-CG1 4.34Å; V215-V217 HydrophobicContact CG2-CG2 3.94Å; V215-L248 HydrophobicContact CB-CD1 4.18Å; V215-L248 HydrophobicContact CG1-CD1 3.31Å; V215-V259 HydrophobicContact CB-CG1 3.75Å; V215-V259 HydrophobicContact CG1-CG1 3.99Å; V215-V259 HydrophobicContact CG2-CG1 3.88Å; V215-T260 WeakPolarHBondContact CA-O 3.28Å; V215-T260 WeakPolarHBondContact CB-O 3.43Å |
| 216 | A | 95.1 | Very high | 80.8 | Confident | 9 Ų | 9 | 42.4 Ų | 42.4 | 7% | 0.074 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 134.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | V205 Y206 V259 T260 L262 | V205-A216 HydrophobicContact CG1-CB 4.28Å; Y206-A216 CarbonylContact O-C 3.55Å; Y206-A216 WeakPolarHBondContact O-CA 3.29Å; A216-V259 WeakPolarHBondContact O-CA 3.42Å; A216-T260 PolarHBondContact N-O 3.28Å; A216-T260 PolarHBondContact O-N 2.93Å; A216-L262 HydrophobicContact CB-CD1 4.07Å |
| 217 | V | 93.4 | Very high | 79.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 102.9 | -177.3 | -174.1 | 0 | 0 | 0 | 0 | 108.9 | L191 L193 V205 Y206 V215 H257 V259 | L191-V217 HydrophobicContact CD1-CG2 3.96Å; L191-V217 HydrophobicContact CD2-CG1 4.43Å; L191-V217 HydrophobicContact CD2-CG2 4.15Å; L193-V217 HydrophobicContact CD1-CB 3.94Å; L193-V217 HydrophobicContact CD1-CG1 4.11Å; L193-V217 HydrophobicContact CD1-CG2 4.04Å; V205-V217 CarbonylContact C-O 3.57Å; V205-V217 WeakPolarHBondContact CA-O 3.49Å; Y206-V217 PolarHBondContact N-O 2.9Å; Y206-V217 PolarHBondContact O-N 2.8Å; V215-V217 HydrophobicContact CG2-CG2 3.94Å; V217-H257 HydrophobicContact CG1-CB 4.02Å; V217-V259 HydrophobicContact CG2-CG2 4.49Å |
| 218 | K | 88.9 | Confident | 78.4 | Confident | 31 Ų | 31 | 43.2 Ų | 43.2 | 14% | 0.135 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 110.1 | 174.4 | -176.5 | -179.5 | 176.7 | -172.1 | 0 | 108.6 | V205 I220 E232 H257 I258 D326 | V205-K218 HydrophobicContact CG2-CB 4.28Å; V205-K218 HydrophobicContact CG2-CG 4.19Å; K218-I220 HydrophobicContact CD-CD1 4.08Å; K218-I220 HydrophobicContact CG-CD1 3.91Å; K218-E232 IonicContact NZ-OE1 3.11Å; K218-E232 PolarHBondContact NZ-OE1 3.11Å; K218-E232 IonicContact NZ-OE2 3.39Å; K218-H257 WeakPolarHBondContact O-CA 3.29Å; K218-I258 HydrophobicContact CB-CB 4.37Å; K218-I258 PolarHBondContact N-O 3.1Å; K218-I258 PolarHBondContact O-N 2.97Å; K218-D326 IonicContact NZ-OD1 2.8Å; K218-D326 PolarHBondContact NZ-OD1 2.92Å |
| 219 | T | 84.1 | Confident | 77.6 | Confident | 29 Ų | 29 | 43.1 Ų | 43.1 | 18% | 0.178 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 128.4 | 169.7 | 31 | 0 | 0 | 0 | 0 | 110.3 | G203 A204 Y206 H257 | G203-T219 WeakPolarHBondContact CA-O 3.15Å; A204-T219 PolarHBondContact O-N 3.04Å; A204-T219 PolarHBondContact O-OG1 3.14Å; Y206-T219 HydrophobicContact CE2-CG2 4.48Å; Y206-T219 WeakPolarHBondContact CE2-OG1 3.25Å; T219-H257 WeakPolarHBondContact CG2-CD2 3.34Å; T219-H257 WeakPolarHBondContact CG2-NE2 3.41Å |
| 220 | I | 75.6 | Confident | 76.8 | Confident | 17 Ų | 17 | 40.3 Ų | 40.3 | 9% | 0.087 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 124.8 | 177.4 | -49.8 | -58.4 | 0 | 0 | 0 | 109.7 | K218 T225 F229 L256 I258 | K218-I220 HydrophobicContact CD-CD1 4.08Å; K218-I220 HydrophobicContact CG-CD1 3.91Å; I220-T225 HydrophobicContact CG2-CG2 3.79Å; I220-T225 WeakPolarHBondContact CG2-OG1 3.42Å; I220-F229 HydrophobicContact CG1-CD2 3.87Å; I220-L256 HydrophobicContact CB-CB 4.23Å; I220-L256 PolarHBondContact N-O 3.31Å; I220-I258 HydrophobicContact CD1-CD1 4.15Å; I220-I258 HydrophobicContact CG1-CD1 4.45Å; I220-I258 HydrophobicContact CG1-CG1 4.48Å |
| 221 | K | 65.1 | Low | 76 | Confident | 111 Ų | 111 | 43.5 Ų | 43.5 | 48% | 0.483 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -87.1 | 133.6 | 178.5 | -63.6 | 179.5 | -177.3 | 173.2 | 0 | 110.8 | E199 F202 T225 | E199-K221 IonicContact OE1-NZ 2.68Å; E199-K221 PolarHBondContact OE1-NZ 3.04Å; F202-K221 PolarHBondContact O-N 2.74Å; K221-T225 WeakPolarHBondContact O-CG2 3.34Å |
| 222 | C | 55.6 | Low | 75.7 | Confident | 23 Ų | 23 | 40.7 Ų | 40.7 | 16% | 0.155 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 77 | 148.2 | 159.7 | -156.6 | 0 | 0 | 0 | 0 | 121.1 | Y129 V224 T225 | Y129-C222 WeakPolarHBondContact CE2-SG 3.37Å; Y129-C222 PolarHBondContact OH-SG 3.44Å; C222-V224 PolarHBondContact O-N 3.13Å; C222-V224 VanDerWaalsContact O-N 3.11Å; C222-T225 VanDerWaalsContact O-CB 3.29Å; C222-T225 WeakPolarHBondContact O-CB 3.38Å; C222-T225 WeakPolarHBondContact O-CG2 3.29Å; C222-T225 PolarHBondContact O-N 2.99Å; C222-T225 PolarHBondContact O-OG1 2.99Å |
| 223 | D | 51.3 | Low | 75.7 | Confident | 15 Ų | 15 | 38 Ų | 38 | 8% | 0.08 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -12.2 | -167.9 | -73.9 | -64.3 | 0 | 0 | 0 | 119.6 | L134 N144 L145 T225 | L134-D223 WeakPolarHBondContact CD1-OD2 3.26Å; N144-D223 WeakPolarHBondContact CA-OD2 3.45Å; L145-D223 VanDerWaalsContact CB-OD1 3.27Å; L145-D223 WeakPolarHBondContact CB-OD1 3.36Å; L145-D223 HydrophobicContact CD1-CB 4.14Å; L145-D223 HydrophobicContact CG-CB 4.39Å; L145-D223 VanDerWaalsContact CG-CG 3.47Å; L145-D223 VanDerWaalsContact CG-OD2 3.3Å; L145-D223 WeakPolarHBondContact CG-OD2 3.36Å; L145-D223 PolarHBondContact N-OD1 3.1Å; L145-D223 PolarHBondContact N-OD2 3.12Å; D223-T225 PolarHBondContact O-N 3.42Å |
| 224 | V | 51.7 | Low | 75.5 | Confident | 118 Ų | 118 | 36.3 Ų | 36.3 | 72% | 0.715 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -8.7 | 171.7 | -155.7 | 0 | 0 | 0 | 0 | 110.8 | C222 | C222-V224 PolarHBondContact O-N 3.13Å; C222-V224 VanDerWaalsContact O-N 3.11Å |
| 225 | T | 59.4 | Low | 75.1 | Confident | 28 Ų | 28 | 34.3 Ų | 34.3 | 17% | 0.172 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -97.6 | -11 | -173.5 | 67.5 | 0 | 0 | 0 | 0 | 115.3 | I220 K221 C222 D223 Q227 A228 F229 | I220-T225 HydrophobicContact CG2-CG2 3.79Å; I220-T225 WeakPolarHBondContact CG2-OG1 3.42Å; K221-T225 WeakPolarHBondContact O-CG2 3.34Å; C222-T225 VanDerWaalsContact O-CB 3.29Å; C222-T225 WeakPolarHBondContact O-CB 3.38Å; C222-T225 WeakPolarHBondContact O-CG2 3.29Å; C222-T225 PolarHBondContact O-N 2.99Å; C222-T225 PolarHBondContact O-OG1 2.99Å; D223-T225 PolarHBondContact O-N 3.42Å; T225-Q227 PolarHBondContact O-N 2.85Å; T225-A228 CarbonylContact O-C 3.46Å; T225-A228 PolarHBondContact O-N 2.89Å; T225-F229 WeakPolarHBondContact O-CB 3.5Å; T225-F229 PolarHBondContact O-N 2.84Å |
| 226 | A | 65.3 | Low | 74.8 | Confident | 9 Ų | 9 | 34.8 Ų | 34.8 | 7% | 0.074 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.2 | -38.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L75 M76 M230 L256 | L75-A226 HydrophobicContact CB-CB 4.39Å; L75-A226 HydrophobicContact CD1-CB 4.03Å; M76-A226 HydrophobicContact CE-CB 3.9Å; A226-M230 WeakPolarHBondContact O-CB 3.19Å; A226-M230 VanDerWaalsContact O-CG 3.23Å; A226-M230 WeakPolarHBondContact O-CG 3.4Å; A226-M230 PolarHBondContact O-N 2.88Å; A226-L256 HydrophobicContact CB-CD1 4.23Å |
| 227 | Q | 68.9 | Low | 74.4 | Confident | 140 Ų | 140 | 35 Ų | 35 | 65% | 0.654 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -70.8 | -41.5 | 174.3 | -172.5 | 171.2 | -6.1 | 0 | 0 | 112.2 | T225 M230 Q231 | T225-Q227 PolarHBondContact O-N 2.85Å; Q227-M230 PolarHBondContact O-N 2.55Å; Q227-Q231 WeakPolarHBondContact O-CB 3.41Å; Q227-Q231 VanDerWaalsContact O-CG 3.26Å; Q227-Q231 WeakPolarHBondContact O-CG 3.38Å; Q227-Q231 PolarHBondContact O-N 3.02Å |
| 228 | A | 70.3 | Confident | 74.1 | Confident | 39 Ų | 39 | 38.4 Ų | 38.4 | 32% | 0.322 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.6 | -43.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T225 Q231 E232 | T225-A228 CarbonylContact O-C 3.46Å; T225-A228 PolarHBondContact O-N 2.89Å; A228-Q231 WeakPolarHBondContact O-CB 3.26Å; A228-Q231 PolarHBondContact O-N 2.85Å; A228-E232 WeakPolarHBondContact O-CB 3.47Å; A228-E232 PolarHBondContact O-N 2.98Å |
| 229 | F | 77.7 | Confident | 74 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.8 | -47.1 | 171.9 | 169 | -89.9 | 0 | 0 | 0 | 111.1 | L75 I220 T225 Q231 E232 T233 V250 L252 L256 I258 | L75-F229 HydrophobicContact CD1-CD1 3.58Å; L75-F229 HydrophobicContact CD1-CE1 3.86Å; I220-F229 HydrophobicContact CG1-CD2 3.87Å; T225-F229 WeakPolarHBondContact O-CB 3.5Å; T225-F229 PolarHBondContact O-N 2.84Å; F229-Q231 VanDerWaalsContact C-N 3.3Å; F229-Q231 PolarHBondContact O-N 3.4Å; F229-E232 PolarHBondContact O-N 2.97Å; F229-T233 WeakPolarHBondContact O-CB 3.23Å; F229-T233 PolarHBondContact O-N 3.14Å; F229-T233 PolarHBondContact O-OG1 3.21Å; F229-V250 HydrophobicContact CE2-CB 4.4Å; F229-V250 HydrophobicContact CE2-CG1 4.08Å; F229-V250 HydrophobicContact CZ-CB 3.74Å; F229-V250 HydrophobicContact CZ-CG1 3.66Å; F229-V250 HydrophobicContact CZ-CG2 4.28Å; F229-L252 HydrophobicContact CE1-CD2 4.14Å; F229-L252 HydrophobicContact CZ-CD2 4.08Å; F229-L256 HydrophobicContact CB-CD1 4.1Å; F229-L256 HydrophobicContact CD1-CD1 4.22Å; F229-L256 HydrophobicContact CD2-CB 4Å; F229-L256 HydrophobicContact CE2-CB 4Å; F229-L256 HydrophobicContact CG-CB 4.34Å; F229-L256 HydrophobicContact CG-CD1 4.03Å; F229-L256 HydrophobicContact CZ-CB 4.38Å; F229-I258 HydrophobicContact CD2-CD1 3.88Å; F229-I258 HydrophobicContact CD2-CG1 3.6Å; F229-I258 HydrophobicContact CE2-CD1 4.21Å; F229-I258 HydrophobicContact CE2-CG1 3.43Å; F229-I258 VanDerWaalsContact CE2-CG1 3.43Å |
| 230 | M | 77.9 | Confident | 74.2 | Confident | 20 Ų | 20 | 40 Ų | 40 | 10% | 0.099 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.3 | -35.3 | 177.1 | -75 | -56.1 | -60.2 | 0 | 0 | 111.7 | L73 L75 A175 L179 A226 Q227 A234 | L73-M230 HydrophobicContact CB-CE 4.34Å; L73-M230 HydrophobicContact CD1-CE 4.46Å; L75-M230 HydrophobicContact CD1-CG 3.82Å; L75-M230 HydrophobicContact CD1-SD 3.93Å; L75-M230 HydrophobicContact CD2-SD 4.25Å; L75-M230 HydrophobicContact CG-CG 4.05Å; L75-M230 HydrophobicContact CG-SD 3.94Å; A175-M230 HydrophobicContact CB-CE 3.74Å; A175-M230 HydrophobicContact CB-SD 3.79Å; L179-M230 HydrophobicContact CD1-SD 4.42Å; A226-M230 WeakPolarHBondContact O-CB 3.19Å; A226-M230 VanDerWaalsContact O-CG 3.23Å; A226-M230 WeakPolarHBondContact O-CG 3.4Å; A226-M230 PolarHBondContact O-N 2.88Å; Q227-M230 PolarHBondContact O-N 2.55Å; M230-A234 WeakPolarHBondContact O-CB 3.37Å; M230-A234 PolarHBondContact O-N 2.79Å |
| 231 | Q | 74.2 | Confident | 75 | Confident | 98 Ų | 98 | 41.6 Ų | 41.6 | 46% | 0.458 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.8 | -51.6 | 174.3 | -75.5 | 170.9 | -10.2 | 0 | 0 | 111.6 | Q227 A228 F229 T233 A234 V235 | Q227-Q231 WeakPolarHBondContact O-CB 3.41Å; Q227-Q231 VanDerWaalsContact O-CG 3.26Å; Q227-Q231 WeakPolarHBondContact O-CG 3.38Å; Q227-Q231 PolarHBondContact O-N 3.02Å; A228-Q231 WeakPolarHBondContact O-CB 3.26Å; A228-Q231 PolarHBondContact O-N 2.85Å; F229-Q231 VanDerWaalsContact C-N 3.3Å; F229-Q231 PolarHBondContact O-N 3.4Å; Q231-T233 PolarHBondContact O-N 3.2Å; Q231-A234 PolarHBondContact O-N 3.04Å; Q231-V235 WeakPolarHBondContact O-CG2 3.21Å; Q231-V235 PolarHBondContact O-N 3.11Å |
| 232 | E | 78.6 | Confident | 76.4 | Confident | 13 Ų | 13 | 42.4 Ų | 42.4 | 6% | 0.061 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.4 | -50.5 | 177.2 | -174.2 | 172.8 | -179.2 | 0 | 0 | 110.1 | K218 A228 F229 A234 V235 M236 I258 | K218-E232 IonicContact NZ-OE1 3.11Å; K218-E232 PolarHBondContact NZ-OE1 3.11Å; K218-E232 IonicContact NZ-OE2 3.39Å; A228-E232 WeakPolarHBondContact O-CB 3.47Å; A228-E232 PolarHBondContact O-N 2.98Å; F229-E232 PolarHBondContact O-N 2.97Å; E232-A234 PolarHBondContact O-N 3.2Å; E232-V235 PolarHBondContact O-N 2.79Å; E232-M236 HydrophobicContact CG-SD 3.99Å; E232-M236 WeakPolarHBondContact O-CB 3.46Å; E232-M236 VanDerWaalsContact O-CG 3.27Å; E232-M236 WeakPolarHBondContact O-CG 3.42Å; E232-M236 PolarHBondContact O-N 2.95Å; E232-I258 HydrophobicContact CB-CD1 4.46Å; E232-I258 HydrophobicContact CG-CD1 4.02Å |
| 233 | T | 81.9 | Confident | 78.4 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.9 | -48.5 | 177 | -54.4 | 0 | 0 | 0 | 0 | 110.7 | L67 L179 F229 Q231 V235 M236 T237 L247 V250 | L67-T233 HydrophobicContact CD1-CG2 3.68Å; L179-T233 HydrophobicContact CD2-CG2 4.34Å; F229-T233 WeakPolarHBondContact O-CB 3.23Å; F229-T233 PolarHBondContact O-N 3.14Å; F229-T233 PolarHBondContact O-OG1 3.21Å; Q231-T233 PolarHBondContact O-N 3.2Å; T233-V235 VanDerWaalsContact C-N 3.28Å; T233-V235 PolarHBondContact O-N 2.92Å; T233-M236 PolarHBondContact O-N 2.85Å; T233-M236 VanDerWaalsContact O-N 3.15Å; T233-T237 HydrophobicContact CG2-CG2 4.22Å; T233-T237 VanDerWaalsContact O-CG2 3.29Å; T233-T237 WeakPolarHBondContact O-CG2 3.4Å; T233-T237 PolarHBondContact O-N 2.88Å; T233-T237 PolarHBondContact O-OG1 2.69Å; T233-L247 HydrophobicContact CG2-CD2 4.13Å; T233-V250 HydrophobicContact CG2-CG1 3.62Å |
| 234 | A | 83.4 | Confident | 80.5 | Confident | 5 Ų | 5 | 40.8 Ų | 40.8 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.3 | -32.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L67 V69 M230 Q231 E232 T237 K238 | L67-A234 HydrophobicContact CB-CB 4.18Å; V69-A234 HydrophobicContact CG2-CB 3.93Å; M230-A234 WeakPolarHBondContact O-CB 3.37Å; M230-A234 PolarHBondContact O-N 2.79Å; Q231-A234 PolarHBondContact O-N 3.04Å; E232-A234 PolarHBondContact O-N 3.2Å; A234-T237 PolarHBondContact O-OG1 3.35Å; A234-T237 VanDerWaalsContact O-OG1 3.04Å; A234-K238 WeakPolarHBondContact O-CE 3.41Å |
| 235 | V | 83.8 | Confident | 82.5 | Confident | 15 Ų | 15 | 35.5 Ų | 35.5 | 9% | 0.091 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.6 | -54.5 | 170.3 | 171.2 | 0 | 0 | 0 | 0 | 109.6 | Q231 E232 T233 T237 K238 L239 L304 F327 A330 | Q231-V235 WeakPolarHBondContact O-CG2 3.21Å; Q231-V235 PolarHBondContact O-N 3.11Å; E232-V235 PolarHBondContact O-N 2.79Å; T233-V235 VanDerWaalsContact C-N 3.28Å; T233-V235 PolarHBondContact O-N 2.92Å; V235-T237 VanDerWaalsContact C-N 3.29Å; V235-T237 PolarHBondContact O-N 3Å; V235-K238 WeakPolarHBondContact O-CB 3.43Å; V235-K238 PolarHBondContact O-N 3.03Å; V235-L239 HydrophobicContact CG1-CD1 3.89Å; V235-L239 HydrophobicContact CG1-CG 4.35Å; V235-L239 WeakPolarHBondContact O-CG 3.33Å; V235-L304 HydrophobicContact CG1-CD1 4.28Å; V235-F327 HydrophobicContact CG1-CB 4.33Å; V235-A330 HydrophobicContact CG1-CB 4.14Å |
| 236 | M | 87.6 | Confident | 84.1 | Confident | 10 Ų | 10 | 37 Ų | 37 | 5% | 0.049 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.3 | -34.7 | -175.4 | -71.3 | -179.3 | 79.1 | 0 | 0 | 113.6 | E232 T233 K238 L239 L247 I258 T260 F327 | E232-M236 HydrophobicContact CG-SD 3.99Å; E232-M236 WeakPolarHBondContact O-CB 3.46Å; E232-M236 VanDerWaalsContact O-CG 3.27Å; E232-M236 WeakPolarHBondContact O-CG 3.42Å; E232-M236 PolarHBondContact O-N 2.95Å; T233-M236 PolarHBondContact O-N 2.85Å; T233-M236 VanDerWaalsContact O-N 3.15Å; M236-K238 PolarHBondContact O-N 3.13Å; M236-K238 VanDerWaalsContact O-N 3.1Å; M236-L239 PolarHBondContact O-N 3.19Å; M236-L247 HydrophobicContact CB-CB 3.97Å; M236-L247 HydrophobicContact CB-CD2 3.85Å; M236-L247 HydrophobicContact CB-CG 4.41Å; M236-L247 HydrophobicContact CE-CB 3.82Å; M236-L247 HydrophobicContact CE-CD1 4.14Å; M236-L247 HydrophobicContact SD-CD1 4.44Å; M236-I258 HydrophobicContact CE-CG2 4.46Å; M236-I258 HydrophobicContact SD-CG2 4.25Å; M236-T260 HydrophobicContact CE-CG2 3.61Å; M236-F327 HydrophobicContact CE-CD2 4.36Å; M236-F327 HydrophobicContact CG-CB 4.3Å; M236-F327 HydrophobicContact CG-CD2 3.69Å; M236-F327 HydrophobicContact CG-CE2 4.49Å; M236-F327 HydrophobicContact CG-CG 4.34Å; M236-F327 HydrophobicContact SD-CD2 4.27Å |
| 237 | T | 88.3 | Confident | 85.3 | Confident | 13 Ų | 13 | 36.8 Ų | 36.8 | 8% | 0.08 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -16.2 | 175.6 | 60.1 | 0 | 0 | 0 | 0 | 114.3 | A66 L67 W184 T233 A234 V235 L247 | A66-T237 WeakPolarHBondContact CB-O 3.4Å; L67-T237 HydrophobicContact CB-CG2 4.33Å; L67-T237 HydrophobicContact CD1-CG2 3.74Å; L67-T237 HydrophobicContact CG-CG2 3.95Å; L67-T237 PolarHBondContact N-OG1 3.28Å; W184-T237 HydrophobicContact CD2-CG2 3.45Å; W184-T237 VanDerWaalsContact CD2-CG2 3.45Å; W184-T237 HydrophobicContact CE3-CG2 3.9Å; W184-T237 HydrophobicContact CG-CG2 3.81Å; W184-T237 HydrophobicContact CH2-CG2 4.19Å; W184-T237 HydrophobicContact CZ2-CG2 3.77Å; W184-T237 HydrophobicContact CZ3-CG2 4.24Å; T233-T237 HydrophobicContact CG2-CG2 4.22Å; T233-T237 VanDerWaalsContact O-CG2 3.29Å; T233-T237 WeakPolarHBondContact O-CG2 3.4Å; T233-T237 PolarHBondContact O-N 2.88Å; T233-T237 PolarHBondContact O-OG1 2.69Å; A234-T237 PolarHBondContact O-OG1 3.35Å; A234-T237 VanDerWaalsContact O-OG1 3.04Å; V235-T237 VanDerWaalsContact C-N 3.29Å; V235-T237 PolarHBondContact O-N 3Å; T237-L247 HydrophobicContact CG2-CD2 3.81Å |
| 238 | K | 86 | Confident | 86.4 | Confident | 71 Ų | 71 | 30.8 Ų | 30.8 | 31% | 0.309 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -7.5 | 177.8 | -60 | 169.1 | -172.9 | 171.2 | 0 | 112.9 | A66 L67 A234 V235 M236 Y298 | A66-K238 HydrophobicContact CB-CB 4.43Å; A66-K238 HydrophobicContact CB-CG 3.58Å; L67-K238 VanDerWaalsContact O-CE 3.26Å; L67-K238 WeakPolarHBondContact O-CE 3.16Å; A234-K238 WeakPolarHBondContact O-CE 3.41Å; V235-K238 WeakPolarHBondContact O-CB 3.43Å; V235-K238 PolarHBondContact O-N 3.03Å; M236-K238 PolarHBondContact O-N 3.13Å; M236-K238 VanDerWaalsContact O-N 3.1Å; K238-Y298 PolarHBondContact O-OH 3.22Å |
| 239 | L | 88.1 | Confident | 87.4 | Confident | 18 Ų | 18 | 29 Ų | 29 | 9% | 0.094 | 13% | 0.134 | C | C | . | . | trans | -99.9 | 123.3 | -172.4 | -60.1 | -177.2 | 0 | 0 | 0 | 110.1 | V235 M236 L244 Y298 L299 L304 F327 | V235-L239 HydrophobicContact CG1-CD1 3.89Å; V235-L239 HydrophobicContact CG1-CG 4.35Å; V235-L239 WeakPolarHBondContact O-CG 3.33Å; M236-L239 PolarHBondContact O-N 3.19Å; L239-L244 HydrophobicContact CB-CD1 4.23Å; L239-L244 HydrophobicContact CD1-CD1 4.36Å; L239-L244 HydrophobicContact CD2-CD1 4.43Å; L239-Y298 HydrophobicContact CD2-CE1 3.85Å; L239-L299 HydrophobicContact CD1-CD2 3.96Å; L239-L299 HydrophobicContact CD2-CD2 3.57Å; L239-L299 HydrophobicContact CG-CD2 4.41Å; L239-L304 HydrophobicContact CD2-CD1 3.6Å; L239-F327 HydrophobicContact CD1-CD1 3.82Å; L239-F327 HydrophobicContact CD1-CD2 4.14Å; L239-F327 HydrophobicContact CD1-CE1 3.74Å; L239-F327 HydrophobicContact CD1-CE2 4.06Å; L239-F327 HydrophobicContact CD1-CG 4.02Å; L239-F327 HydrophobicContact CD1-CZ 3.87Å | ||
| 240 | Q | 88.5 | Confident | 88.1 | Confident | 75 Ų | 75 | 28.9 Ų | 28.9 | 35% | 0.35 | 13% | 0.134 | S | C | . | . | trans | -145.5 | 103.7 | 174.3 | -172.2 | 171.7 | 13.3 | 0 | 0 | 108.9 | G6 Y298 | G6-Q240 PolarHBondContact O-NE2 3.22Å; G6-Q240 PolarHBondContact O-OE1 2.81Å; Q240-Y298 PolarHBondContact N-OH 3.13Å; Q240-Y298 WeakPolarHBondContact O-CE2 3.48Å | ||
| 241 | H | 92.1 | Very high | 88.6 | Confident | 52 Ų | 52 | 28 Ų | 28 | 24% | 0.241 | 13% | 0.13 | C | C | . | . | trans | -157.4 | 145.6 | -179.9 | -172.3 | -99 | 0 | 0 | 0 | 109.4 | N243 L244 Y298 | H241-N243 PolarHBondContact CE1-OD1 3.26Å; H241-N243 VanDerWaalsContact CE1-OD1 3.22Å; H241-N243 PolarHBondContact ND1-N 2.9Å; H241-N243 VanDerWaalsContact ND1-N 3.16Å; H241-N243 PolarHBondContact O-N 3.15Å; H241-L244 HydrophobicContact CB-CB 4.28Å; H241-L244 HydrophobicContact CB-CD1 3.95Å; H241-L244 HydrophobicContact CB-CG 3.9Å; H241-L244 PolarHBondContact O-N 3.3Å; H241-L244 VanDerWaalsContact O-N 3.13Å; H241-Y298 HydrophobicContact CB-CD1 3.91Å; H241-Y298 HydrophobicContact CB-CD2 4.17Å; H241-Y298 HydrophobicContact CB-CE1 4.27Å; H241-Y298 HydrophobicContact CB-CG 3.85Å; H241-Y298 AromaticContact CD2-CD2 3.91Å; H241-Y298 AromaticContact CD2-CG 3.95Å; H241-Y298 AromaticContact CG-CG 3.95Å | ||
| 242 | K | 93.6 | Very high | 89.1 | Confident | 127 Ų | 127 | 25.5 Ų | 25.5 | 55% | 0.552 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -29.4 | -176.2 | 68.3 | -177.5 | 178.2 | 165.1 | 0 | 113.1 | E294 K323 | K242-E294 WeakPolarHBondContact CE-OE2 3.47Å; K242-E294 IonicContact NZ-OE1 2.69Å; K242-E294 IonicContact NZ-OE2 3.06Å; K242-E294 PolarHBondContact NZ-OE2 3.16Å; K242-K323 WeakPolarHBondContact O-CD 3.4Å; K242-K323 WeakPolarHBondContact O-CE 3.38Å |
| 243 | N | 97.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 18.7 | 178.6 | -52.7 | 98.8 | 0 | 0 | 0 | 114.4 | H241 D291 E294 A322 K323 V324 | H241-N243 PolarHBondContact CE1-OD1 3.26Å; H241-N243 VanDerWaalsContact CE1-OD1 3.22Å; H241-N243 PolarHBondContact ND1-N 2.9Å; H241-N243 VanDerWaalsContact ND1-N 3.16Å; H241-N243 PolarHBondContact O-N 3.15Å; N243-D291 WeakPolarHBondContact CB-O 3.39Å; N243-D291 WeakPolarHBondContact ND2-CA 3.27Å; N243-D291 VanDerWaalsContact ND2-CB 3.27Å; N243-D291 WeakPolarHBondContact ND2-CB 3.42Å; N243-D291 VanDerWaalsContact ND2-CG 3.32Å; N243-D291 PolarHBondContact ND2-OD1 3.46Å; N243-E294 PolarHBondContact OD1-OE2 2.87Å; N243-E294 VanDerWaalsContact OD1-OE2 3.13Å; N243-A322 PolarHBondContact ND2-O 2.86Å; N243-K323 CarbonylContact O-C 3.55Å; N243-K323 VanDerWaalsContact O-CA 3.26Å; N243-K323 WeakPolarHBondContact O-CA 3.46Å; N243-V324 PolarHBondContact O-N 3.45Å |
| 244 | L | 96 | Very high | 88.6 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.016 | 16% | 0.162 | C | C | . | . | B | Isolated β-bridge | trans | -119.6 | 138.5 | 169.8 | -61.1 | -176.7 | 0 | 0 | 0 | 108.6 | L239 H241 R246 Y298 L299 V324 F327 | L239-L244 HydrophobicContact CB-CD1 4.23Å; L239-L244 HydrophobicContact CD1-CD1 4.36Å; L239-L244 HydrophobicContact CD2-CD1 4.43Å; H241-L244 HydrophobicContact CB-CB 4.28Å; H241-L244 HydrophobicContact CB-CD1 3.95Å; H241-L244 HydrophobicContact CB-CG 3.9Å; H241-L244 PolarHBondContact O-N 3.3Å; H241-L244 VanDerWaalsContact O-N 3.13Å; L244-R246 PolarHBondContact O-N 3.46Å; L244-Y298 HydrophobicContact CD1-CD1 3.54Å; L244-Y298 HydrophobicContact CD1-CE1 3.96Å; L244-L299 HydrophobicContact CD1-CD2 3.76Å; L244-L299 HydrophobicContact CD1-CG 4.23Å; L244-L299 HydrophobicContact CD2-CD1 4.48Å; L244-L299 HydrophobicContact CD2-CG 4.4Å; L244-V324 HydrophobicContact CD2-CB 3.73Å; L244-V324 HydrophobicContact CD2-CG2 4.25Å; L244-F327 HydrophobicContact CB-CZ 4.18Å; L244-F327 HydrophobicContact CD1-CZ 4.45Å; L244-F327 HydrophobicContact CD2-CE1 4.26Å; L244-F327 HydrophobicContact CD2-CZ 4.01Å; L244-F327 HydrophobicContact CG-CZ 4.44Å |
| 245 | V | 94.4 | Very high | 88.3 | Confident | 8 Ų | 8 | 35.4 Ų | 35.4 | 5% | 0.048 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 121.4 | 177.1 | 173.3 | 0 | 0 | 0 | 0 | 109.5 | T260 E261 M263 L315 K323 V324 | V245-T260 HydrophobicContact CG1-CG2 4.09Å; V245-E261 HydrophobicContact CG1-CG 4.08Å; V245-M263 HydrophobicContact CG2-CG 4.24Å; V245-L315 HydrophobicContact CG2-CB 4.4Å; V245-L315 HydrophobicContact CG2-CD1 4.12Å; V245-K323 HydrophobicContact CG2-CB 3.78Å; V245-V324 PolarHBondContact N-O 3.38Å |
| 246 | R | 91.1 | Very high | 88.2 | Confident | 59 Ų | 59 | 35.3 Ų | 35.3 | 22% | 0.223 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -78.9 | 128.8 | -174.9 | -176.5 | 169.4 | 63.8 | 105.3 | -10.5 | 111.7 | N48 L244 L248 T260 E261 | N48-R246 PolarHBondContact ND2-NH1 2.88Å; L244-R246 PolarHBondContact O-N 3.46Å; R246-L248 VanDerWaalsContact CZ-CD2 3.43Å; R246-T260 VanDerWaalsContact O-CA 3.29Å; R246-T260 WeakPolarHBondContact O-CA 3.33Å; R246-T260 WeakPolarHBondContact O-CB 2.88Å; R246-E261 HydrophobicContact CB-CG 4.29Å; R246-E261 VanDerWaalsContact CB-OE1 3.27Å; R246-E261 WeakPolarHBondContact CB-OE1 3.49Å; R246-E261 PolarHBondContact N-OE1 2.93Å; R246-E261 PolarHBondContact O-N 2.9Å; R246-E261 VanDerWaalsContact O-N 3.09Å |
| 247 | L | 92.5 | Very high | 88.2 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 127.2 | 164.5 | -179.1 | 69.4 | 0 | 0 | 0 | 109.9 | W184 T233 M236 T237 G249 I258 | W184-L247 HydrophobicContact CE3-CD2 3.68Å; W184-L247 HydrophobicContact CE3-CG 4.07Å; W184-L247 HydrophobicContact CZ3-CB 4.19Å; W184-L247 HydrophobicContact CZ3-CD2 3.67Å; W184-L247 HydrophobicContact CZ3-CG 3.84Å; T233-L247 HydrophobicContact CG2-CD2 4.13Å; M236-L247 HydrophobicContact CB-CB 3.97Å; M236-L247 HydrophobicContact CB-CD2 3.85Å; M236-L247 HydrophobicContact CB-CG 4.41Å; M236-L247 HydrophobicContact CE-CB 3.82Å; M236-L247 HydrophobicContact CE-CD1 4.14Å; M236-L247 HydrophobicContact SD-CD1 4.44Å; T237-L247 HydrophobicContact CG2-CD2 3.81Å; L247-G249 WeakPolarHBondContact CD1-O 3.45Å; L247-I258 HydrophobicContact CD1-CG2 3.55Å |
| 248 | L | 90.9 | Very high | 88.3 | Confident | 15 Ų | 15 | 35.2 Ų | 35.2 | 8% | 0.079 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -37 | 171.4 | -61 | 178.7 | 0 | 0 | 0 | 110.9 | R64 V215 R246 V259 | R64-L248 PolarHBondContact NH1-O 3.49Å; R64-L248 PolarHBondContact NH2-O 2.81Å; V215-L248 HydrophobicContact CB-CD1 4.18Å; V215-L248 HydrophobicContact CG1-CD1 3.31Å; R246-L248 VanDerWaalsContact CZ-CD2 3.43Å; L248-V259 WeakPolarHBondContact CA-O 3.42Å; L248-V259 HydrophobicContact CB-CG1 4.26Å; L248-V259 WeakPolarHBondContact CB-O 3.43Å; L248-V259 HydrophobicContact CD1-CG1 4.37Å; L248-V259 PolarHBondContact N-O 2.96Å |
| 249 | G | 91.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.4 | -165.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | W184 L247 V259 | W184-G249 CarbonylContact O-C 3.49Å; W184-G249 VanDerWaalsContact O-CA 3.3Å; W184-G249 WeakPolarHBondContact O-CA 3.27Å; L247-G249 WeakPolarHBondContact CD1-O 3.45Å; G249-V259 PolarHBondContact N-O 3.23Å; G249-V259 WeakPolarHBondContact O-CB 3.26Å; G249-V259 PolarHBondContact O-N 3.27Å |
| 250 | V | 92.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 151.4 | -179.3 | -62 | 0 | 0 | 0 | 0 | 111.4 | L179 W184 L186 F229 T233 H257 | L179-V250 HydrophobicContact CD1-CG2 3.76Å; L179-V250 HydrophobicContact CD2-CG2 3.68Å; L179-V250 HydrophobicContact CG-CG2 4.22Å; W184-V250 PolarHBondContact O-N 3.46Å; L186-V250 PolarHBondContact N-O 2.94Å; F229-V250 HydrophobicContact CE2-CB 4.4Å; F229-V250 HydrophobicContact CE2-CG1 4.08Å; F229-V250 HydrophobicContact CZ-CB 3.74Å; F229-V250 HydrophobicContact CZ-CG1 3.66Å; F229-V250 HydrophobicContact CZ-CG2 4.28Å; T233-V250 HydrophobicContact CG2-CG1 3.62Å; V250-H257 CarbonylContact C-O 3.57Å; V250-H257 WeakPolarHBondContact CA-O 3.42Å; V250-H257 WeakPolarHBondContact CB-O 3.05Å |
| 251 | I | 89.3 | Confident | 89.1 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 132.6 | 175.3 | -59.2 | 164.2 | 0 | 0 | 0 | 109.4 | L186 I188 L191 H253 H257 V259 | L186-I251 HydrophobicContact CB-CD1 4.31Å; L186-I251 HydrophobicContact CB-CG1 3.69Å; I188-I251 HydrophobicContact CB-CG2 3.77Å; I188-I251 HydrophobicContact CD1-CD1 4.23Å; I188-I251 HydrophobicContact CD1-CG2 3.76Å; I188-I251 HydrophobicContact CG1-CG2 4.19Å; L191-I251 HydrophobicContact CB-CD1 4.17Å; L191-I251 HydrophobicContact CD2-CD1 3.6Å; L191-I251 HydrophobicContact CG-CD1 4.4Å; I251-H253 HydrophobicContact CG2-CB 3.96Å; I251-H257 HydrophobicContact CB-CB 4.02Å; I251-H257 PolarHBondContact N-O 3.01Å; I251-H257 PolarHBondContact O-N 3.42Å; I251-H257 PolarHBondContact O-ND1 2.7Å; I251-V259 HydrophobicContact CD1-CG2 3.83Å; I251-V259 HydrophobicContact CG1-CG2 4.16Å |
| 252 | L | 83.5 | Confident | 89.2 | Confident | 44 Ų | 44 | 28.8 Ų | 28.8 | 23% | 0.23 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 72 | 178.9 | -54.4 | -179.8 | 0 | 0 | 0 | 108.8 | L75 E176 L179 L185 F229 L256 | L75-L252 HydrophobicContact CD2-CD1 3.54Å; L75-L252 HydrophobicContact CD2-CD2 3.78Å; L75-L252 HydrophobicContact CD2-CG 4.33Å; E176-L252 HydrophobicContact CB-CD1 3.76Å; E176-L252 HydrophobicContact CG-CD1 3.96Å; L179-L252 HydrophobicContact CD1-CD1 3.99Å; L185-L252 HydrophobicContact CD1-CB 4.14Å; L185-L252 HydrophobicContact CD1-CD1 3.83Å; L185-L252 HydrophobicContact CD1-CG 3.68Å; F229-L252 HydrophobicContact CE1-CD2 4.14Å; F229-L252 HydrophobicContact CZ-CD2 4.08Å; L252-L256 HydrophobicContact CD2-CD2 3.39Å |
| 253 | H | 77.9 | Confident | 89.3 | Confident | 72 Ų | 72 | 23.3 Ų | 23.3 | 33% | 0.333 | 11% | 0.112 | S | C | . | . | S | Bend | trans | -143.8 | 117.3 | 179.8 | -176.9 | 77.5 | 0 | 0 | 0 | 110 | I188 I251 G255 H257 | I188-H253 HydrophobicContact CB-CB 3.97Å; I188-H253 HydrophobicContact CD1-CB 4.45Å; I188-H253 HydrophobicContact CG1-CB 3.94Å; I188-H253 HydrophobicContact CG2-CB 4.05Å; I251-H253 HydrophobicContact CG2-CB 3.96Å; H253-G255 PolarHBondContact N-O 2.86Å; H253-G255 PolarHBondContact O-N 3.44Å; H253-H257 PolarHBondContact O-CE1 3.06Å |
| 254 | K | 72.6 | Confident | 89.1 | Confident | 146 Ų | 146 | 27.1 Ų | 27.1 | 64% | 0.635 | 14% | 0.135 | S | C | * | . | S | Bend | trans | 49.7 | 43.7 | -174.9 | -60.4 | 179.3 | -178.9 | 178.9 | 0 | 112.5 | D147 | D147-K254 VanDerWaalsContact OD1-C 3.28Å; D147-K254 VanDerWaalsContact OD1-CA 3.28Å; D147-K254 WeakPolarHBondContact OD1-CA 3.43Å |
| 255 | G | 76.2 | Confident | 89.1 | Confident | 9 Ų | 9 | 30 Ų | 30 | 9% | 0.093 | 15% | 0.148 | C | C | . | . | S | Bend | trans | 123.7 | -178.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | D147 H253 H257 | D147-G255 PolarHBondContact OD1-N 2.83Å; H253-G255 PolarHBondContact N-O 2.86Å; H253-G255 PolarHBondContact O-N 3.44Å; G255-H257 PolarHBondContact O-CE1 3.37Å; G255-H257 PolarHBondContact O-ND1 3.3Å |
| 256 | L | 81.6 | Confident | 89 | Confident | 12 Ų | 12 | 31.1 Ų | 31.1 | 6% | 0.063 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 126.8 | -178.1 | -55.3 | -179.8 | 0 | 0 | 0 | 110.5 | L75 I146 I220 A226 F229 L252 | L75-L256 HydrophobicContact CD1-CD1 3.94Å; L75-L256 HydrophobicContact CD1-CD2 3.84Å; I146-L256 HydrophobicContact CD1-CD2 4.11Å; I220-L256 HydrophobicContact CB-CB 4.23Å; I220-L256 PolarHBondContact N-O 3.31Å; A226-L256 HydrophobicContact CB-CD1 4.23Å; F229-L256 HydrophobicContact CB-CD1 4.1Å; F229-L256 HydrophobicContact CD1-CD1 4.22Å; F229-L256 HydrophobicContact CD2-CB 4Å; F229-L256 HydrophobicContact CE2-CB 4Å; F229-L256 HydrophobicContact CG-CB 4.34Å; F229-L256 HydrophobicContact CG-CD1 4.03Å; F229-L256 HydrophobicContact CZ-CB 4.38Å; L252-L256 HydrophobicContact CD2-CD2 3.39Å |
| 257 | H | 87.4 | Confident | 89.3 | Confident | 20 Ų | 20 | 30.2 Ų | 30.2 | 9% | 0.093 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 127.4 | -174.1 | -51 | 64.6 | 0 | 0 | 0 | 110 | V217 K218 T219 V250 I251 H253 G255 | V217-H257 HydrophobicContact CG1-CB 4.02Å; K218-H257 WeakPolarHBondContact O-CA 3.29Å; T219-H257 WeakPolarHBondContact CG2-CD2 3.34Å; T219-H257 WeakPolarHBondContact CG2-NE2 3.41Å; V250-H257 CarbonylContact C-O 3.57Å; V250-H257 WeakPolarHBondContact CA-O 3.42Å; V250-H257 WeakPolarHBondContact CB-O 3.05Å; I251-H257 HydrophobicContact CB-CB 4.02Å; I251-H257 PolarHBondContact N-O 3.01Å; I251-H257 PolarHBondContact O-N 3.42Å; I251-H257 PolarHBondContact O-ND1 2.7Å; H253-H257 PolarHBondContact O-CE1 3.06Å; G255-H257 PolarHBondContact O-CE1 3.37Å; G255-H257 PolarHBondContact O-ND1 3.3Å |
| 258 | I | 90.4 | Very high | 89.5 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 121.1 | 170 | -58.2 | -179.9 | 0 | 0 | 0 | 107.5 | K218 I220 F229 E232 M236 L247 T260 | K218-I258 HydrophobicContact CB-CB 4.37Å; K218-I258 PolarHBondContact N-O 3.1Å; K218-I258 PolarHBondContact O-N 2.97Å; I220-I258 HydrophobicContact CD1-CD1 4.15Å; I220-I258 HydrophobicContact CG1-CD1 4.45Å; I220-I258 HydrophobicContact CG1-CG1 4.48Å; F229-I258 HydrophobicContact CD2-CD1 3.88Å; F229-I258 HydrophobicContact CD2-CG1 3.6Å; F229-I258 HydrophobicContact CE2-CD1 4.21Å; F229-I258 HydrophobicContact CE2-CG1 3.43Å; F229-I258 VanDerWaalsContact CE2-CG1 3.43Å; E232-I258 HydrophobicContact CB-CD1 4.46Å; E232-I258 HydrophobicContact CG-CD1 4.02Å; M236-I258 HydrophobicContact CE-CG2 4.46Å; M236-I258 HydrophobicContact SD-CG2 4.25Å; L247-I258 HydrophobicContact CD1-CG2 3.55Å; I258-T260 HydrophobicContact CG2-CG2 4.17Å |
| 259 | V | 93.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 118.7 | -178.8 | -172.2 | 0 | 0 | 0 | 0 | 109.1 | L186 V215 A216 V217 L248 G249 I251 | L186-V259 HydrophobicContact CD1-CB 3.85Å; L186-V259 HydrophobicContact CD1-CG1 4.13Å; L186-V259 HydrophobicContact CD1-CG2 3.94Å; V215-V259 HydrophobicContact CB-CG1 3.75Å; V215-V259 HydrophobicContact CG1-CG1 3.99Å; V215-V259 HydrophobicContact CG2-CG1 3.88Å; A216-V259 WeakPolarHBondContact O-CA 3.42Å; V217-V259 HydrophobicContact CG2-CG2 4.49Å; L248-V259 WeakPolarHBondContact CA-O 3.42Å; L248-V259 HydrophobicContact CB-CG1 4.26Å; L248-V259 WeakPolarHBondContact CB-O 3.43Å; L248-V259 HydrophobicContact CD1-CG1 4.37Å; L248-V259 PolarHBondContact N-O 2.96Å; G249-V259 PolarHBondContact N-O 3.23Å; G249-V259 WeakPolarHBondContact O-CB 3.26Å; G249-V259 PolarHBondContact O-N 3.27Å; I251-V259 HydrophobicContact CD1-CG2 3.83Å; I251-V259 HydrophobicContact CG1-CG2 4.16Å |
| 260 | T | 94 | Very high | 89.9 | Confident | 20 Ų | 20 | 34 Ų | 34 | 12% | 0.123 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 169 | -180 | 57.8 | 0 | 0 | 0 | 0 | 111.5 | V215 A216 M236 V245 R246 I258 | V215-T260 WeakPolarHBondContact CA-O 3.28Å; V215-T260 WeakPolarHBondContact CB-O 3.43Å; A216-T260 PolarHBondContact N-O 3.28Å; A216-T260 PolarHBondContact O-N 2.93Å; M236-T260 HydrophobicContact CE-CG2 3.61Å; V245-T260 HydrophobicContact CG1-CG2 4.09Å; R246-T260 VanDerWaalsContact O-CA 3.29Å; R246-T260 WeakPolarHBondContact O-CA 3.33Å; R246-T260 WeakPolarHBondContact O-CB 2.88Å; I258-T260 HydrophobicContact CG2-CG2 4.17Å |
| 261 | E | 92.6 | Very high | 90.2 | Very high | 29 Ų | 29 | 35 Ų | 35 | 14% | 0.136 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 144.1 | 165.3 | 65 | -178.6 | 131.5 | 0 | 0 | 111.2 | V245 R246 M263 K323 | V245-E261 HydrophobicContact CG1-CG 4.08Å; R246-E261 HydrophobicContact CB-CG 4.29Å; R246-E261 VanDerWaalsContact CB-OE1 3.27Å; R246-E261 WeakPolarHBondContact CB-OE1 3.49Å; R246-E261 PolarHBondContact N-OE1 2.93Å; R246-E261 PolarHBondContact O-N 2.9Å; R246-E261 VanDerWaalsContact O-N 3.09Å; E261-M263 HydrophobicContact CG-SD 4.2Å; E261-K323 IonicContact OE1-NZ 2.7Å; E261-K323 PolarHBondContact OE1-NZ 3.04Å; E261-K323 IonicContact OE2-NZ 2.78Å; E261-K323 PolarHBondContact OE2-NZ 2.83Å |
| 262 | L | 94.5 | Very high | 90.5 | Very high | 32 Ų | 32 | 34.9 Ų | 34.9 | 17% | 0.168 | 18% | 0.184 | C | C | . | . | trans | -82.7 | 128.5 | 176.9 | -178 | 65 | 0 | 0 | 0 | 110.5 | I197 R207 M214 A216 T264 | I197-L262 HydrophobicContact CD1-CD1 3.88Å; R207-L262 HydrophobicContact CG-CD2 4.13Å; M214-L262 HydrophobicContact CB-CB 4.37Å; M214-L262 HydrophobicContact CB-CD2 3.97Å; M214-L262 HydrophobicContact CE-CD2 3.77Å; A216-L262 HydrophobicContact CB-CD1 4.07Å; L262-T264 HydrophobicContact CD2-CG2 4.27Å; L262-T264 HydrophobicContact CG-CG2 4.36Å | ||
| 263 | M | 95.4 | Very high | 91.1 | Very high | 12 Ų | 12 | 39.5 Ų | 39.5 | 6% | 0.059 | 20% | 0.199 | C | C | . | . | trans | -104.5 | 94 | 176.1 | -58.7 | -62.7 | -72.5 | 0 | 0 | 109 | V245 E261 K265 G266 L315 I316 K323 | V245-M263 HydrophobicContact CG2-CG 4.24Å; E261-M263 HydrophobicContact CG-SD 4.2Å; M263-K265 VanDerWaalsContact C-N 3.25Å; M263-K265 PolarHBondContact O-N 3.49Å; M263-G266 PolarHBondContact O-N 3.12Å; M263-G266 VanDerWaalsContact O-N 3.11Å; M263-L315 HydrophobicContact CB-CB 3.58Å; M263-L315 HydrophobicContact CB-CD1 3.99Å; M263-L315 HydrophobicContact CB-CG 4.37Å; M263-L315 HydrophobicContact CE-CB 4.02Å; M263-L315 WeakPolarHBondContact CE-O 3.49Å; M263-L315 HydrophobicContact CG-CB 3.57Å; M263-L315 HydrophobicContact CG-CD1 3.77Å; M263-L315 HydrophobicContact CG-CG 4.33Å; M263-I316 CarbonylContact C-O 3.58Å; M263-I316 VanDerWaalsContact CE-C 3.47Å; M263-K323 HydrophobicContact CE-CB 3.83Å; M263-K323 HydrophobicContact CE-CD 3.7Å; M263-K323 HydrophobicContact CE-CG 3.58Å; M263-K323 HydrophobicContact SD-CD 3.98Å | ||
| 264 | T | 93.4 | Very high | 91.9 | Very high | 81 Ų | 81 | 41.3 Ų | 41.3 | 50% | 0.497 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -24.6 | -164.9 | 55.1 | 0 | 0 | 0 | 0 | 114.5 | L262 D318 | L262-T264 HydrophobicContact CD2-CG2 4.27Å; L262-T264 HydrophobicContact CG-CG2 4.36Å; T264-D318 WeakPolarHBondContact OG1-CA 3.23Å; T264-D318 WeakPolarHBondContact OG1-CB 3.36Å; T264-D318 PolarHBondContact OG1-N 3.34Å; T264-D318 PolarHBondContact OG1-OD1 2.71Å; T264-D318 VanDerWaalsContact OG1-OD1 3.12Å |
| 265 | K | 95.1 | Very high | 93 | Very high | 64 Ų | 64 | 40.3 Ų | 40.3 | 28% | 0.278 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 6.1 | -179.9 | -68 | 179.2 | 178.5 | 166.7 | 0 | 113.4 | M263 F271 I316 S317 D318 S320 | M263-K265 VanDerWaalsContact C-N 3.25Å; M263-K265 PolarHBondContact O-N 3.49Å; K265-F271 HydrophobicContact CB-CD2 4Å; K265-F271 HydrophobicContact CB-CE2 4.26Å; K265-F271 HydrophobicContact CD-CD2 4.42Å; K265-F271 HydrophobicContact CD-CE2 3.82Å; K265-F271 HydrophobicContact CG-CE2 4.41Å; K265-I316 HydrophobicContact CB-CB 3.81Å; K265-I316 HydrophobicContact CB-CG2 3.88Å; K265-I316 WeakPolarHBondContact CB-O 3.47Å; K265-I316 HydrophobicContact CD-CG2 4.01Å; K265-I316 PolarHBondContact N-O 3.43Å; K265-I316 VanDerWaalsContact N-O 3.16Å; K265-S317 WeakPolarHBondContact CD-O 3.41Å; K265-D318 VanDerWaalsContact CE-O 3.25Å; K265-D318 WeakPolarHBondContact CE-O 3.39Å; K265-D318 PolarHBondContact NZ-O 3.42Å; K265-S320 PolarHBondContact NZ-OG 2.9Å |
| 266 | G | 94 | Very high | 93.7 | Very high | 31 Ų | 31 | 40.8 Ų | 40.8 | 32% | 0.32 | 21% | 0.212 | S | C | . | . | trans | 68.9 | -158.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | M263 L315 I316 | M263-G266 PolarHBondContact O-N 3.12Å; M263-G266 VanDerWaalsContact O-N 3.11Å; G266-L315 CarbonylContact O-C 3.49Å; G266-L315 WeakPolarHBondContact O-CA 3.42Å; G266-I316 PolarHBondContact O-N 2.93Å | ||
| 267 | N | 95.4 | Very high | 94.1 | Very high | 39 Ų | 39 | 44.6 Ų | 44.6 | 21% | 0.209 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -78 | 152.4 | -179.4 | 71.2 | 68.8 | 0 | 0 | 0 | 113 | V269 N270 F271 R312 V314 L315 | N267-V269 VanDerWaalsContact C-N 3.31Å; N267-V269 PolarHBondContact O-N 2.74Å; N267-V269 WeakPolarHBondContact OD1-CB 3.17Å; N267-V269 PolarHBondContact OD1-N 3.19Å; N267-N270 PolarHBondContact ND2-ND2 3.5Å; N267-N270 VanDerWaalsContact ND2-ND2 3.19Å; N267-N270 PolarHBondContact O-N 2.97Å; N267-N270 PolarHBondContact OD1-N 3.41Å; N267-F271 WeakPolarHBondContact O-CB 3.42Å; N267-F271 PolarHBondContact O-N 3.19Å; N267-R312 WeakPolarHBondContact CB-O 3.45Å; N267-V314 CarbonylContact C-O 3.51Å; N267-V314 VanDerWaalsContact CA-O 3.24Å; N267-V314 WeakPolarHBondContact CA-O 3.26Å; N267-L315 HydrophobicContact CB-CD2 3.86Å |
| 268 | L | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.1 | -33.1 | -174.3 | 179.8 | 58.7 | 0 | 0 | 0 | 112.7 | F271 L272 F288 A311 V314 I316 I373 | L268-F271 PolarHBondContact O-N 2.96Å; L268-L272 HydrophobicContact CD1-CD1 3.8Å; L268-L272 HydrophobicContact CD1-CD2 4.24Å; L268-L272 HydrophobicContact CD1-CG 3.74Å; L268-L272 HydrophobicContact CG-CD1 3.84Å; L268-L272 HydrophobicContact CG-CG 4.24Å; L268-L272 WeakPolarHBondContact O-CB 3.46Å; L268-L272 WeakPolarHBondContact O-CG 3.36Å; L268-L272 PolarHBondContact O-N 2.67Å; L268-F288 HydrophobicContact CD1-CD2 3.75Å; L268-F288 HydrophobicContact CD1-CE2 3.99Å; L268-F288 HydrophobicContact CD1-CG 4.13Å; L268-A311 HydrophobicContact CB-CB 4.47Å; L268-A311 WeakPolarHBondContact CB-O 3.36Å; L268-A311 HydrophobicContact CD2-CB 4.39Å; L268-A311 HydrophobicContact CG-CB 4.47Å; L268-V314 HydrophobicContact CB-CB 3.98Å; L268-V314 HydrophobicContact CB-CG1 4.09Å; L268-V314 HydrophobicContact CD2-CB 4.1Å; L268-V314 HydrophobicContact CD2-CG1 3.89Å; L268-V314 PolarHBondContact N-O 3.11Å; L268-I316 HydrophobicContact CB-CD1 4.12Å; L268-I316 HydrophobicContact CB-CG1 4.37Å; L268-I316 HydrophobicContact CD1-CD1 3.77Å; L268-I316 HydrophobicContact CD1-CG1 4.28Å; L268-I316 HydrophobicContact CG-CD1 4.41Å; L268-I373 HydrophobicContact CD2-CD1 3.9Å; L268-I373 HydrophobicContact CD2-CG1 3.8Å |
| 269 | V | 96.6 | Very high | 94.2 | Very high | 13 Ų | 13 | 53.6 Ų | 53.6 | 8% | 0.079 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.9 | -52.8 | 176.2 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | N267 F271 L272 R273 A311 R312 | N267-V269 VanDerWaalsContact C-N 3.31Å; N267-V269 PolarHBondContact O-N 2.74Å; N267-V269 WeakPolarHBondContact OD1-CB 3.17Å; N267-V269 PolarHBondContact OD1-N 3.19Å; V269-F271 VanDerWaalsContact C-N 3.34Å; V269-L272 PolarHBondContact O-N 3.32Å; V269-R273 VanDerWaalsContact CG1-CZ 3.45Å; V269-R273 WeakPolarHBondContact O-CB 3.38Å; V269-R273 VanDerWaalsContact O-CG 3.3Å; V269-R273 WeakPolarHBondContact O-CG 3.45Å; V269-R273 PolarHBondContact O-N 3.39Å; V269-A311 HydrophobicContact CG2-CB 3.49Å; V269-A311 VanDerWaalsContact CG2-CB 3.49Å; V269-R312 HydrophobicContact CG2-CB 4.3Å |
| 270 | N | 95.3 | Very high | 94.3 | Very high | 87 Ų | 87 | 53.8 Ų | 53.8 | 47% | 0.465 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.4 | -40.1 | -179.3 | -72.5 | -9.9 | 0 | 0 | 0 | 110.9 | N267 L272 R273 T274 | N267-N270 PolarHBondContact ND2-ND2 3.5Å; N267-N270 VanDerWaalsContact ND2-ND2 3.19Å; N267-N270 PolarHBondContact O-N 2.97Å; N267-N270 PolarHBondContact OD1-N 3.41Å; N270-L272 PolarHBondContact O-N 3.02Å; N270-R273 PolarHBondContact O-N 3.39Å; N270-T274 WeakPolarHBondContact O-CB 3.46Å; N270-T274 VanDerWaalsContact O-CG2 3.27Å; N270-T274 WeakPolarHBondContact O-CG2 3.2Å; N270-T274 PolarHBondContact O-N 2.74Å; N270-T274 PolarHBondContact O-OG1 3.47Å |
| 271 | F | 96.8 | Very high | 94.3 | Very high | 19 Ų | 19 | 54.3 Ų | 54.3 | 8% | 0.083 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.4 | -50.2 | 175.4 | -176.5 | -93.9 | 0 | 0 | 0 | 111.9 | K265 N267 L268 V269 T274 R275 V280 F288 I316 | K265-F271 HydrophobicContact CB-CD2 4Å; K265-F271 HydrophobicContact CB-CE2 4.26Å; K265-F271 HydrophobicContact CD-CD2 4.42Å; K265-F271 HydrophobicContact CD-CE2 3.82Å; K265-F271 HydrophobicContact CG-CE2 4.41Å; N267-F271 WeakPolarHBondContact O-CB 3.42Å; N267-F271 PolarHBondContact O-N 3.19Å; L268-F271 PolarHBondContact O-N 2.96Å; V269-F271 VanDerWaalsContact C-N 3.34Å; F271-T274 PolarHBondContact O-OG1 3.06Å; F271-R275 HydrophobicContact CD2-CG 4.37Å; F271-R275 HydrophobicContact CE1-CG 4.42Å; F271-R275 HydrophobicContact CE2-CG 4.09Å; F271-R275 HydrophobicContact CZ-CG 4.14Å; F271-R275 WeakPolarHBondContact O-CB 3.38Å; F271-R275 VanDerWaalsContact O-CG 3.27Å; F271-R275 WeakPolarHBondContact O-CG 3.47Å; F271-R275 PolarHBondContact O-N 3.43Å; F271-R275 VanDerWaalsContact O-N 3.12Å; F271-V280 HydrophobicContact CE1-CG2 3.86Å; F271-F288 HydrophobicContact CD1-CE2 4.09Å; F271-F288 HydrophobicContact CD1-CZ 4.06Å; F271-F288 AromaticContact CE1-CE2 3.79Å; F271-F288 HydrophobicContact CE1-CE2 3.79Å; F271-F288 AromaticContact CE1-CZ 3.57Å; F271-F288 HydrophobicContact CE1-CZ 3.57Å; F271-F288 HydrophobicContact CZ-CZ 4.32Å; F271-I316 HydrophobicContact CB-CG1 4.28Å; F271-I316 HydrophobicContact CG-CG1 4.26Å |
| 272 | L | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 179.9 | -70.3 | 170 | 0 | 0 | 0 | 112.5 | L268 V269 N270 G276 V280 L285 F288 I373 Y376 | L268-L272 HydrophobicContact CD1-CD1 3.8Å; L268-L272 HydrophobicContact CD1-CD2 4.24Å; L268-L272 HydrophobicContact CD1-CG 3.74Å; L268-L272 HydrophobicContact CG-CD1 3.84Å; L268-L272 HydrophobicContact CG-CG 4.24Å; L268-L272 WeakPolarHBondContact O-CB 3.46Å; L268-L272 WeakPolarHBondContact O-CG 3.36Å; L268-L272 PolarHBondContact O-N 2.67Å; V269-L272 PolarHBondContact O-N 3.32Å; N270-L272 PolarHBondContact O-N 3.02Å; L272-G276 WeakPolarHBondContact O-CA 3.27Å; L272-G276 PolarHBondContact O-N 2.92Å; L272-V280 HydrophobicContact CD2-CG1 4.12Å; L272-L285 HydrophobicContact CD2-CD2 3.57Å; L272-F288 HydrophobicContact CD2-CE2 4.42Å; L272-I373 HydrophobicContact CD1-CG1 4.45Å; L272-Y376 HydrophobicContact CD2-CD1 4.49Å |
| 273 | R | 96.1 | Very high | 94.4 | Very high | 141 Ų | 141 | 56.8 Ų | 56.8 | 53% | 0.532 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.2 | -40.7 | -179.8 | -74.6 | 177.2 | -178.5 | 173.6 | 3.5 | 112.8 | V269 N270 G377 | V269-R273 VanDerWaalsContact CG1-CZ 3.45Å; V269-R273 WeakPolarHBondContact O-CB 3.38Å; V269-R273 VanDerWaalsContact O-CG 3.3Å; V269-R273 WeakPolarHBondContact O-CG 3.45Å; V269-R273 PolarHBondContact O-N 3.39Å; N270-R273 PolarHBondContact O-N 3.39Å; R273-G377 PolarHBondContact NE-O 2.78Å; R273-G377 PolarHBondContact NH2-O 3.14Å |
| 274 | T | 94.7 | Very high | 94.4 | Very high | 110 Ų | 110 | 59.1 Ų | 59.1 | 68% | 0.675 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -77.9 | -31.4 | -176.5 | 53.5 | 0 | 0 | 0 | 0 | 112.9 | N270 F271 | N270-T274 WeakPolarHBondContact O-CB 3.46Å; N270-T274 VanDerWaalsContact O-CG2 3.27Å; N270-T274 WeakPolarHBondContact O-CG2 3.2Å; N270-T274 PolarHBondContact O-N 2.74Å; N270-T274 PolarHBondContact O-OG1 3.47Å; F271-T274 PolarHBondContact O-OG1 3.06Å |
| 275 | R | 94.3 | Very high | 94.6 | Very high | 126 Ų | 126 | 55.4 Ų | 55.4 | 48% | 0.475 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -90.6 | -36.3 | -179.5 | -61.5 | -62.7 | -176.8 | 167.1 | -1.1 | 113 | F271 V279 V280 | F271-R275 HydrophobicContact CD2-CG 4.37Å; F271-R275 HydrophobicContact CE1-CG 4.42Å; F271-R275 HydrophobicContact CE2-CG 4.09Å; F271-R275 HydrophobicContact CZ-CG 4.14Å; F271-R275 WeakPolarHBondContact O-CB 3.38Å; F271-R275 VanDerWaalsContact O-CG 3.27Å; F271-R275 WeakPolarHBondContact O-CG 3.47Å; F271-R275 PolarHBondContact O-N 3.43Å; F271-R275 VanDerWaalsContact O-N 3.12Å; R275-V279 HydrophobicContact CB-CB 4.07Å; R275-V279 HydrophobicContact CB-CG1 4.23Å; R275-V279 WeakPolarHBondContact O-CG2 3.5Å; R275-V280 HydrophobicContact CB-CG2 3.73Å |
| 276 | G | 90.6 | Very high | 94.8 | Very high | 18 Ų | 18 | 52.5 Ų | 52.5 | 19% | 0.186 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | 63.4 | -172.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L272 S278 V279 V280 | L272-G276 WeakPolarHBondContact O-CA 3.27Å; L272-G276 PolarHBondContact O-N 2.92Å; G276-S278 VanDerWaalsContact C-N 3.3Å; G276-S278 PolarHBondContact O-N 3.47Å; G276-V279 PolarHBondContact O-N 2.97Å; G276-V280 PolarHBondContact O-N 3.28Å |
| 277 | R | 90.9 | Very high | 94.9 | Very high | 93 Ų | 93 | 57 Ų | 57 | 35% | 0.351 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.6 | -27.5 | -175.9 | -73.5 | 171.3 | -179.4 | 78.6 | 1.8 | 114.2 | V279 Y376 | R277-V279 VanDerWaalsContact C-N 3.3Å; R277-V279 PolarHBondContact O-N 2.91Å; R277-Y376 VanDerWaalsContact CA-CE1 3.47Å; R277-Y376 HydrophobicContact CB-CE1 4.17Å; R277-Y376 HydrophobicContact CG-CD1 4.08Å; R277-Y376 HydrophobicContact CG-CD2 3.75Å; R277-Y376 HydrophobicContact CG-CE1 3.68Å; R277-Y376 HydrophobicContact CG-CE2 3.34Å; R277-Y376 HydrophobicContact CG-CG 4.1Å |
| 278 | S | 87.4 | Confident | 95.1 | Very high | 117 Ų | 117 | 55.1 Ų | 55.1 | 82% | 0.818 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -72.6 | -24.9 | -177.9 | 50.6 | 0 | 0 | 0 | 0 | 113 | G276 | G276-S278 VanDerWaalsContact C-N 3.3Å; G276-S278 PolarHBondContact O-N 3.47Å |
| 279 | V | 92.3 | Very high | 95.2 | Very high | 94 Ų | 94 | 55.1 Ų | 55.1 | 57% | 0.57 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -108.1 | -37.3 | -177.7 | -179.8 | 0 | 0 | 0 | 0 | 111.5 | R275 G276 R277 | R275-V279 HydrophobicContact CB-CB 4.07Å; R275-V279 HydrophobicContact CB-CG1 4.23Å; R275-V279 WeakPolarHBondContact O-CG2 3.5Å; G276-V279 PolarHBondContact O-N 2.97Å; R277-V279 VanDerWaalsContact C-N 3.3Å; R277-V279 PolarHBondContact O-N 2.91Å |
| 280 | V | 95.1 | Very high | 95.3 | Very high | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.024 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -105.3 | 96.8 | -176.8 | -173.8 | 0 | 0 | 0 | 0 | 109.4 | F271 L272 R275 G276 Q284 L285 F288 Y376 | F271-V280 HydrophobicContact CE1-CG2 3.86Å; L272-V280 HydrophobicContact CD2-CG1 4.12Å; R275-V280 HydrophobicContact CB-CG2 3.73Å; G276-V280 PolarHBondContact O-N 3.28Å; V280-Q284 HydrophobicContact CG1-CB 4.01Å; V280-Q284 HydrophobicContact CG1-CG 3.94Å; V280-L285 HydrophobicContact CG1-CD2 3.59Å; V280-L285 HydrophobicContact CG1-CG 4.17Å; V280-F288 HydrophobicContact CG1-CE2 4.1Å; V280-Y376 HydrophobicContact CB-CE1 4.2Å; V280-Y376 WeakPolarHBondContact O-CE1 3.24Å; V280-Y376 PolarHBondContact O-OH 2.75Å |
| 281 | G | 94.7 | Very high | 95.4 | Very high | 30 Ų | 30 | 51.3 Ų | 51.3 | 31% | 0.309 | 27% | 0.273 | S | S | . | . | trans | -78.8 | 171.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A283 Q284 L285 | G281-A283 VanDerWaalsContact C-N 3.31Å; G281-A283 PolarHBondContact O-N 3.09Å; G281-Q284 PolarHBondContact O-N 3.06Å; G281-L285 PolarHBondContact O-N 3.26Å | ||
| 282 | P | 93.4 | Very high | 95.5 | Very high | 67 Ų | 67 | 50.4 Ų | 50.4 | 44% | 0.435 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -55.9 | -37.5 | -177 | -27.5 | 35.4 | 0 | 0 | 0 | 115 | Q284 L285 L286 | P282-Q284 VanDerWaalsContact C-N 3.32Å; P282-Q284 PolarHBondContact O-N 3.43Å; P282-L285 WeakPolarHBondContact O-CB 3.46Å; P282-L285 PolarHBondContact O-N 3.31Å; P282-L286 PolarHBondContact O-N 3.19Å |
| 283 | A | 94.9 | Very high | 95.6 | Very high | 46 Ų | 46 | 50.4 Ų | 50.4 | 38% | 0.38 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G281 L286 R287 L438 | G281-A283 VanDerWaalsContact C-N 3.31Å; G281-A283 PolarHBondContact O-N 3.09Å; A283-L286 PolarHBondContact O-N 3.41Å; A283-R287 PolarHBondContact O-N 3.33Å; A283-L438 HydrophobicContact CB-CD1 4.49Å |
| 284 | Q | 96.6 | Very high | 95.7 | Very high | 62 Ų | 62 | 45.2 Ų | 45.2 | 29% | 0.29 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -71.4 | -36.2 | 177.1 | -173.7 | 61.2 | 51.5 | 0 | 0 | 111.7 | V280 G281 P282 R287 F288 | V280-Q284 HydrophobicContact CG1-CB 4.01Å; V280-Q284 HydrophobicContact CG1-CG 3.94Å; G281-Q284 PolarHBondContact O-N 3.06Å; P282-Q284 VanDerWaalsContact C-N 3.32Å; P282-Q284 PolarHBondContact O-N 3.43Å; Q284-R287 PolarHBondContact O-N 3.05Å; Q284-F288 HydrophobicContact CG-CD2 4.27Å; Q284-F288 HydrophobicContact CG-CE1 4.35Å; Q284-F288 HydrophobicContact CG-CE2 3.72Å; Q284-F288 HydrophobicContact CG-CZ 3.77Å; Q284-F288 VanDerWaalsContact NE2-CZ 3.34Å; Q284-F288 WeakPolarHBondContact O-CD2 3.41Å; Q284-F288 WeakPolarHBondContact O-CG 3.34Å; Q284-F288 PolarHBondContact O-N 3.23Å |
| 285 | L | 97.9 | Very high | 95.9 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.6 | -43.2 | 172.9 | -62.5 | -177.9 | 0 | 0 | 0 | 111.8 | L272 V280 G281 P282 R287 F288 S289 I373 F374 Y376 | L272-L285 HydrophobicContact CD2-CD2 3.57Å; V280-L285 HydrophobicContact CG1-CD2 3.59Å; V280-L285 HydrophobicContact CG1-CG 4.17Å; G281-L285 PolarHBondContact O-N 3.26Å; P282-L285 WeakPolarHBondContact O-CB 3.46Å; P282-L285 PolarHBondContact O-N 3.31Å; L285-R287 VanDerWaalsContact C-N 3.35Å; L285-F288 PolarHBondContact O-N 3.5Å; L285-S289 WeakPolarHBondContact O-CB 3.43Å; L285-S289 PolarHBondContact O-N 2.73Å; L285-S289 PolarHBondContact O-OG 2.87Å; L285-I373 HydrophobicContact CB-CG2 3.77Å; L285-I373 HydrophobicContact CD2-CG2 3.74Å; L285-I373 HydrophobicContact CG-CG2 4.26Å; L285-F374 HydrophobicContact CB-CE1 4.1Å; L285-F374 HydrophobicContact CB-CZ 4.23Å; L285-F374 HydrophobicContact CD1-CD1 3.93Å; L285-F374 HydrophobicContact CD1-CE1 4.21Å; L285-Y376 HydrophobicContact CD1-CE1 4.41Å; L285-Y376 HydrophobicContact CD1-CE2 3.96Å; L285-Y376 HydrophobicContact CD2-CE1 4.33Å |
| 286 | L | 97.8 | Very high | 96 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.6 | -38.3 | 173.5 | -75.7 | 168.7 | 0 | 0 | 0 | 111.6 | P282 A283 S289 L290 F374 L434 E437 L438 T441 | P282-L286 PolarHBondContact O-N 3.19Å; A283-L286 PolarHBondContact O-N 3.41Å; L286-S289 WeakPolarHBondContact O-CB 3.49Å; L286-S289 PolarHBondContact O-N 2.93Å; L286-L290 WeakPolarHBondContact O-CB 3.32Å; L286-L290 PolarHBondContact O-N 2.9Å; L286-F374 HydrophobicContact CD2-CZ 3.82Å; L286-F374 HydrophobicContact CG-CZ 4.06Å; L286-L434 HydrophobicContact CD2-CD2 4.2Å; L286-E437 HydrophobicContact CD1-CB 4.28Å; L286-E437 HydrophobicContact CD2-CB 3.97Å; L286-L438 HydrophobicContact CB-CD1 3.77Å; L286-L438 HydrophobicContact CD1-CD1 4.45Å; L286-T441 HydrophobicContact CD1-CG2 3.77Å |
| 287 | R | 98.1 | Very high | 96.4 | Very high | 124 Ų | 124 | 35.2 Ų | 35.2 | 47% | 0.468 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.6 | -47 | 174.3 | -176.5 | 69.1 | 99.6 | -167 | 5.9 | 111.9 | A283 Q284 L285 S289 L290 D291 | A283-R287 PolarHBondContact O-N 3.33Å; Q284-R287 PolarHBondContact O-N 3.05Å; L285-R287 VanDerWaalsContact C-N 3.35Å; R287-S289 VanDerWaalsContact C-N 3.27Å; R287-S289 PolarHBondContact O-N 2.86Å; R287-L290 PolarHBondContact O-N 2.8Å; R287-D291 WeakPolarHBondContact O-CB 3.21Å; R287-D291 PolarHBondContact O-N 3.26Å |
| 288 | F | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.1 | -39.4 | 174.7 | -66.7 | -36.1 | 0 | 0 | 0 | 112.3 | L268 F271 L272 V280 Q284 L285 V292 I316 S320 A322 I373 | L268-F288 HydrophobicContact CD1-CD2 3.75Å; L268-F288 HydrophobicContact CD1-CE2 3.99Å; L268-F288 HydrophobicContact CD1-CG 4.13Å; F271-F288 HydrophobicContact CD1-CE2 4.09Å; F271-F288 HydrophobicContact CD1-CZ 4.06Å; F271-F288 AromaticContact CE1-CE2 3.79Å; F271-F288 HydrophobicContact CE1-CE2 3.79Å; F271-F288 AromaticContact CE1-CZ 3.57Å; F271-F288 HydrophobicContact CE1-CZ 3.57Å; F271-F288 HydrophobicContact CZ-CZ 4.32Å; L272-F288 HydrophobicContact CD2-CE2 4.42Å; V280-F288 HydrophobicContact CG1-CE2 4.1Å; Q284-F288 HydrophobicContact CG-CD2 4.27Å; Q284-F288 HydrophobicContact CG-CE1 4.35Å; Q284-F288 HydrophobicContact CG-CE2 3.72Å; Q284-F288 HydrophobicContact CG-CZ 3.77Å; Q284-F288 VanDerWaalsContact NE2-CZ 3.34Å; Q284-F288 WeakPolarHBondContact O-CD2 3.41Å; Q284-F288 WeakPolarHBondContact O-CG 3.34Å; Q284-F288 PolarHBondContact O-N 3.23Å; L285-F288 PolarHBondContact O-N 3.5Å; F288-V292 WeakPolarHBondContact O-CG2 2.83Å; F288-V292 PolarHBondContact O-N 3.38Å; F288-V292 VanDerWaalsContact O-N 3.12Å; F288-I316 HydrophobicContact CD1-CD1 4.2Å; F288-I316 HydrophobicContact CE1-CD1 3.97Å; F288-I316 HydrophobicContact CE1-CG2 4.33Å; F288-I316 HydrophobicContact CZ-CD1 4.43Å; F288-S320 WeakPolarHBondContact CE1-O 3.41Å; F288-A322 HydrophobicContact CB-CB 4.36Å; F288-A322 HydrophobicContact CD1-CB 3.87Å; F288-A322 HydrophobicContact CG-CB 4.49Å; F288-I373 HydrophobicContact CB-CD1 4.28Å |
| 289 | S | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.8 | -48.2 | 175.1 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | L285 L286 R287 V292 C293 Y366 L370 | L285-S289 WeakPolarHBondContact O-CB 3.43Å; L285-S289 PolarHBondContact O-N 2.73Å; L285-S289 PolarHBondContact O-OG 2.87Å; L286-S289 WeakPolarHBondContact O-CB 3.49Å; L286-S289 PolarHBondContact O-N 2.93Å; R287-S289 VanDerWaalsContact C-N 3.27Å; R287-S289 PolarHBondContact O-N 2.86Å; S289-V292 PolarHBondContact O-N 3.19Å; S289-C293 WeakPolarHBondContact O-CB 3.15Å; S289-C293 PolarHBondContact O-N 3.12Å; S289-Y366 PolarHBondContact O-OH 3.15Å; S289-L370 VanDerWaalsContact CB-CD2 3.45Å; S289-L370 VanDerWaalsContact OG-CD2 3.23Å; S289-L370 WeakPolarHBondContact OG-CD2 3.46Å |
| 290 | L | 98.6 | Very high | 97.2 | Very high | 8 Ų | 8 | 25.1 Ų | 25.1 | 4% | 0.042 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62 | -47.3 | 179.4 | -175.3 | 64 | 0 | 0 | 0 | 111.9 | L286 R287 V292 C293 E294 R431 L434 E435 L438 | L286-L290 WeakPolarHBondContact O-CB 3.32Å; L286-L290 PolarHBondContact O-N 2.9Å; R287-L290 PolarHBondContact O-N 2.8Å; L290-V292 VanDerWaalsContact C-N 3.35Å; L290-V292 PolarHBondContact O-N 2.88Å; L290-C293 WeakPolarHBondContact O-CA 3.33Å; L290-C293 WeakPolarHBondContact O-CB 3.49Å; L290-C293 PolarHBondContact O-N 3.46Å; L290-C293 VanDerWaalsContact O-N 3.09Å; L290-E294 WeakPolarHBondContact O-CG 3.24Å; L290-E294 PolarHBondContact O-N 2.91Å; L290-R431 HydrophobicContact CD1-CG 3.65Å; L290-L434 HydrophobicContact CD1-CB 4.07Å; L290-E435 HydrophobicContact CD1-CG 3.8Å; L290-E435 HydrophobicContact CD2-CG 4.19Å; L290-L438 HydrophobicContact CD2-CD2 4.11Å |
| 291 | D | 98.8 | Very high | 97.2 | Very high | 13 Ų | 13 | 28.8 Ų | 28.8 | 7% | 0.07 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -54.2 | -49.8 | 176.6 | -80.6 | -14.9 | 0 | 0 | 0 | 111.6 | N243 R287 C293 E294 G295 A322 | N243-D291 WeakPolarHBondContact CB-O 3.39Å; N243-D291 WeakPolarHBondContact ND2-CA 3.27Å; N243-D291 VanDerWaalsContact ND2-CB 3.27Å; N243-D291 WeakPolarHBondContact ND2-CB 3.42Å; N243-D291 VanDerWaalsContact ND2-CG 3.32Å; N243-D291 PolarHBondContact ND2-OD1 3.46Å; R287-D291 WeakPolarHBondContact O-CB 3.21Å; R287-D291 PolarHBondContact O-N 3.26Å; D291-C293 VanDerWaalsContact C-N 3.33Å; D291-C293 PolarHBondContact O-N 3.44Å; D291-E294 PolarHBondContact O-N 3.44Å; D291-G295 PolarHBondContact O-N 3.37Å; D291-G295 VanDerWaalsContact O-N 3.13Å; D291-A322 HydrophobicContact CB-CB 3.79Å; D291-A322 PolarHBondContact OD2-N 2.98Å |
| 292 | V | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.6 | -41.1 | 177.1 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | F288 S289 L290 E294 G295 M296 L309 V314 A322 V324 Y366 L369 | F288-V292 WeakPolarHBondContact O-CG2 2.83Å; F288-V292 PolarHBondContact O-N 3.38Å; F288-V292 VanDerWaalsContact O-N 3.12Å; S289-V292 PolarHBondContact O-N 3.19Å; L290-V292 VanDerWaalsContact C-N 3.35Å; L290-V292 PolarHBondContact O-N 2.88Å; V292-E294 PolarHBondContact O-N 3.48Å; V292-G295 PolarHBondContact O-N 3.28Å; V292-M296 HydrophobicContact CG1-CG 4.34Å; V292-M296 WeakPolarHBondContact O-CG 3.46Å; V292-M296 PolarHBondContact O-N 3.1Å; V292-L309 HydrophobicContact CG1-CD1 4.17Å; V292-V314 HydrophobicContact CG2-CB 4.47Å; V292-V314 HydrophobicContact CG2-CG1 3.76Å; V292-V314 HydrophobicContact CG2-CG2 3.82Å; V292-A322 HydrophobicContact CG2-CB 4.22Å; V292-V324 HydrophobicContact CB-CG2 4.42Å; V292-V324 HydrophobicContact CG1-CG2 3.95Å; V292-V324 HydrophobicContact CG2-CG2 4.44Å; V292-Y366 HydrophobicContact CB-CE2 4.21Å; V292-Y366 HydrophobicContact CG1-CD2 3.95Å; V292-Y366 HydrophobicContact CG1-CE2 3.81Å; V292-L369 HydrophobicContact CG1-CD1 3.91Å; V292-L369 HydrophobicContact CG1-CD2 4.19Å |
| 293 | C | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.9 | -43.5 | 178.3 | -164 | 0 | 0 | 0 | 0 | 112.4 | S289 L290 D291 M296 E297 Y366 F427 R431 L434 | S289-C293 WeakPolarHBondContact O-CB 3.15Å; S289-C293 PolarHBondContact O-N 3.12Å; L290-C293 WeakPolarHBondContact O-CA 3.33Å; L290-C293 WeakPolarHBondContact O-CB 3.49Å; L290-C293 PolarHBondContact O-N 3.46Å; L290-C293 VanDerWaalsContact O-N 3.09Å; D291-C293 VanDerWaalsContact C-N 3.33Å; D291-C293 PolarHBondContact O-N 3.44Å; C293-M296 PolarHBondContact O-N 2.95Å; C293-E297 WeakPolarHBondContact O-CB 3.03Å; C293-E297 PolarHBondContact O-N 3.07Å; C293-Y366 HydrophobicContact CB-CE2 4.33Å; C293-Y366 WeakPolarHBondContact CB-OH 3.5Å; C293-F427 PolarHBondContact SG-O 2.88Å; C293-F427 VanDerWaalsContact SG-O 3.4Å; C293-R431 PolarHBondContact SG-N 3.1Å; C293-R431 VanDerWaalsContact SG-N 3.4Å; C293-L434 HydrophobicContact CB-CD1 3.85Å |
| 294 | E | 98.6 | Very high | 96.7 | Very high | 31 Ų | 31 | 34.3 Ų | 34.3 | 15% | 0.145 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.4 | -42.1 | 176.7 | -71.3 | -179 | 171.1 | 0 | 0 | 111.2 | K242 N243 L290 D291 V292 M296 E297 Y298 R431 | K242-E294 WeakPolarHBondContact CE-OE2 3.47Å; K242-E294 IonicContact NZ-OE1 2.69Å; K242-E294 IonicContact NZ-OE2 3.06Å; K242-E294 PolarHBondContact NZ-OE2 3.16Å; N243-E294 PolarHBondContact OD1-OE2 2.87Å; N243-E294 VanDerWaalsContact OD1-OE2 3.13Å; L290-E294 WeakPolarHBondContact O-CG 3.24Å; L290-E294 PolarHBondContact O-N 2.91Å; D291-E294 PolarHBondContact O-N 3.44Å; V292-E294 PolarHBondContact O-N 3.48Å; E294-M296 VanDerWaalsContact C-N 3.35Å; E294-M296 PolarHBondContact O-N 3.01Å; E294-E297 PolarHBondContact O-N 2.84Å; E294-Y298 PolarHBondContact O-N 3.26Å; E294-Y298 VanDerWaalsContact O-N 3.08Å; E294-R431 HydrophobicContact CG-CG 4.31Å |
| 295 | G | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.7 | -43.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D291 V292 Y298 L299 | D291-G295 PolarHBondContact O-N 3.37Å; D291-G295 VanDerWaalsContact O-N 3.13Å; V292-G295 PolarHBondContact O-N 3.28Å; G295-Y298 WeakPolarHBondContact O-CB 3.44Å; G295-Y298 PolarHBondContact O-N 3.34Å; G295-L299 PolarHBondContact O-N 3.23Å; G295-L299 VanDerWaalsContact O-N 3.16Å |
| 296 | M | 98.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -74.4 | -32.4 | 179.5 | -66.8 | -56.6 | -56.4 | 0 | 0 | 113.3 | V292 C293 E294 Y298 L299 E300 H306 L309 V324 D362 F427 | V292-M296 HydrophobicContact CG1-CG 4.34Å; V292-M296 WeakPolarHBondContact O-CG 3.46Å; V292-M296 PolarHBondContact O-N 3.1Å; C293-M296 PolarHBondContact O-N 2.95Å; E294-M296 VanDerWaalsContact C-N 3.35Å; E294-M296 PolarHBondContact O-N 3.01Å; M296-Y298 VanDerWaalsContact C-N 3.3Å; M296-Y298 PolarHBondContact O-N 2.86Å; M296-L299 HydrophobicContact CE-CD1 4.09Å; M296-L299 PolarHBondContact O-N 3.4Å; M296-L299 HydrophobicContact SD-CD1 3.76Å; M296-E300 WeakPolarHBondContact O-CB 3.43Å; M296-E300 PolarHBondContact O-N 2.76Å; M296-H306 HydrophobicContact CE-CB 3.97Å; M296-H306 HydrophobicContact SD-CB 4.45Å; M296-L309 HydrophobicContact CE-CD2 4.04Å; M296-L309 HydrophobicContact CG-CD1 4.37Å; M296-L309 HydrophobicContact CG-CD2 3.85Å; M296-L309 HydrophobicContact SD-CD1 3.92Å; M296-L309 HydrophobicContact SD-CD2 3.89Å; M296-L309 HydrophobicContact SD-CG 4.43Å; M296-V324 HydrophobicContact SD-CG1 4.34Å; M296-V324 HydrophobicContact SD-CG2 4.48Å; M296-D362 HydrophobicContact CE-CB 3.81Å; M296-F427 HydrophobicContact CB-CD1 3.49Å; M296-F427 VanDerWaalsContact CB-CD1 3.49Å; M296-F427 HydrophobicContact CB-CD2 3.97Å; M296-F427 HydrophobicContact CB-CE1 3.35Å; M296-F427 HydrophobicContact CB-CE2 3.83Å; M296-F427 HydrophobicContact CB-CG 3.81Å; M296-F427 HydrophobicContact CB-CZ 3.53Å; M296-F427 HydrophobicContact CE-CE2 4.09Å; M296-F427 HydrophobicContact CE-CZ 3.93Å; M296-F427 HydrophobicContact CG-CD1 4.47Å; M296-F427 HydrophobicContact CG-CE1 3.9Å; M296-F427 HydrophobicContact CG-CZ 4Å |
| 297 | E | 98.3 | Very high | 95.9 | Very high | 44 Ų | 44 | 32 Ų | 32 | 21% | 0.206 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.9 | -42.5 | 169.6 | -176.2 | 177.7 | -164.1 | 0 | 0 | 110.8 | C293 E294 E300 S301 F427 S428 R431 | C293-E297 WeakPolarHBondContact O-CB 3.03Å; C293-E297 PolarHBondContact O-N 3.07Å; E294-E297 PolarHBondContact O-N 2.84Å; E297-E300 PolarHBondContact O-N 3.09Å; E297-S301 PolarHBondContact O-N 2.96Å; E297-F427 HydrophobicContact CB-CB 3.81Å; E297-F427 HydrophobicContact CG-CB 4.46Å; E297-S428 VanDerWaalsContact OE1-CA 3.28Å; E297-S428 WeakPolarHBondContact OE1-CA 3.33Å; E297-S428 WeakPolarHBondContact OE1-CB 3.49Å; E297-S428 PolarHBondContact OE1-OG 2.88Å; E297-R431 IonicContact OE1-NE 2.67Å; E297-R431 IonicContact OE1-NH2 3.92Å; E297-R431 WeakPolarHBondContact OE2-CD 2.91Å; E297-R431 IonicContact OE2-CZ 3.5Å; E297-R431 IonicContact OE2-NE 3.12Å; E297-R431 PolarHBondContact OE2-NE 3.03Å |
| 298 | Y | 96.7 | Very high | 95.5 | Very high | 42 Ų | 42 | 26.9 Ų | 26.9 | 17% | 0.165 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.7 | -45.9 | 173.8 | 177.4 | -93.3 | 0 | 0 | 0 | 111.7 | K238 L239 Q240 H241 L244 E294 G295 M296 E300 S301 K302 | K238-Y298 PolarHBondContact O-OH 3.22Å; L239-Y298 HydrophobicContact CD2-CE1 3.85Å; Q240-Y298 PolarHBondContact N-OH 3.13Å; Q240-Y298 WeakPolarHBondContact O-CE2 3.48Å; H241-Y298 HydrophobicContact CB-CD1 3.91Å; H241-Y298 HydrophobicContact CB-CD2 4.17Å; H241-Y298 HydrophobicContact CB-CE1 4.27Å; H241-Y298 HydrophobicContact CB-CG 3.85Å; H241-Y298 AromaticContact CD2-CD2 3.91Å; H241-Y298 AromaticContact CD2-CG 3.95Å; H241-Y298 AromaticContact CG-CG 3.95Å; L244-Y298 HydrophobicContact CD1-CD1 3.54Å; L244-Y298 HydrophobicContact CD1-CE1 3.96Å; E294-Y298 PolarHBondContact O-N 3.26Å; E294-Y298 VanDerWaalsContact O-N 3.08Å; G295-Y298 WeakPolarHBondContact O-CB 3.44Å; G295-Y298 PolarHBondContact O-N 3.34Å; M296-Y298 VanDerWaalsContact C-N 3.3Å; M296-Y298 PolarHBondContact O-N 2.86Å; Y298-E300 PolarHBondContact O-N 3.29Å; Y298-S301 WeakPolarHBondContact O-CB 3.25Å; Y298-S301 PolarHBondContact O-N 3.4Å; Y298-S301 PolarHBondContact O-OG 3.39Å; Y298-K302 HydrophobicContact CD1-CG 4.44Å; Y298-K302 HydrophobicContact CE1-CG 4.02Å; Y298-K302 VanDerWaalsContact CZ-CE 3.44Å; Y298-K302 WeakPolarHBondContact O-CG 3.48Å; Y298-K302 PolarHBondContact O-N 3.08Å; Y298-K302 WeakPolarHBondContact OH-CE 3.46Å |
| 299 | L | 94.9 | Very high | 95.4 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 2% | 0.016 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.7 | -41.7 | 176.6 | -65.4 | -177 | 0 | 0 | 0 | 112.5 | L239 L244 G295 M296 S301 K302 K303 L304 H306 F327 | L239-L299 HydrophobicContact CD1-CD2 3.96Å; L239-L299 HydrophobicContact CD2-CD2 3.57Å; L239-L299 HydrophobicContact CG-CD2 4.41Å; L244-L299 HydrophobicContact CD1-CD2 3.76Å; L244-L299 HydrophobicContact CD1-CG 4.23Å; L244-L299 HydrophobicContact CD2-CD1 4.48Å; L244-L299 HydrophobicContact CD2-CG 4.4Å; G295-L299 PolarHBondContact O-N 3.23Å; G295-L299 VanDerWaalsContact O-N 3.16Å; M296-L299 HydrophobicContact CE-CD1 4.09Å; M296-L299 PolarHBondContact O-N 3.4Å; M296-L299 HydrophobicContact SD-CD1 3.76Å; L299-S301 VanDerWaalsContact C-N 3.32Å; L299-S301 PolarHBondContact O-N 3.4Å; L299-K302 CarbonylContact O-C 3.49Å; L299-K302 WeakPolarHBondContact O-CA 3.46Å; L299-K302 PolarHBondContact O-N 3.47Å; L299-K303 PolarHBondContact O-N 3.13Å; L299-K303 VanDerWaalsContact O-N 3.12Å; L299-L304 HydrophobicContact CD2-CB 4.45Å; L299-L304 PolarHBondContact O-N 2.88Å; L299-H306 HydrophobicContact CD1-CB 4.27Å; L299-F327 HydrophobicContact CD1-CE1 4.06Å; L299-F327 HydrophobicContact CD2-CE1 4.34Å |
| 300 | E | 95.4 | Very high | 95.3 | Very high | 47 Ų | 47 | 26.9 Ų | 26.9 | 22% | 0.22 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.4 | -43.4 | 174.6 | 176.4 | 164.6 | -116.6 | 0 | 0 | 111 | M296 E297 Y298 K302 K303 T359 F427 | M296-E300 WeakPolarHBondContact O-CB 3.43Å; M296-E300 PolarHBondContact O-N 2.76Å; E297-E300 PolarHBondContact O-N 3.09Å; Y298-E300 PolarHBondContact O-N 3.29Å; E300-K302 PolarHBondContact O-N 3.5Å; E300-K303 PolarHBondContact O-N 2.89Å; E300-T359 HydrophobicContact CB-CG2 4.34Å; E300-T359 HydrophobicContact CG-CG2 4.13Å; E300-T359 PolarHBondContact OE1-OG1 3.1Å; E300-T359 VanDerWaalsContact OE1-OG1 3.1Å; E300-F427 HydrophobicContact CB-CD2 4.24Å; E300-F427 PolarHBondContact OE2-N 3.36Å |
| 301 | S | 95 | Very high | 95.3 | Very high | 81 Ų | 81 | 26.5 Ų | 26.5 | 57% | 0.566 | 13% | 0.128 | S | C | * | . | H | α-helix | trans | -62.1 | -28.5 | 176 | 84.7 | 0 | 0 | 0 | 0 | 113.3 | E297 Y298 L299 | E297-S301 PolarHBondContact O-N 2.96Å; Y298-S301 WeakPolarHBondContact O-CB 3.25Å; Y298-S301 PolarHBondContact O-N 3.4Å; Y298-S301 PolarHBondContact O-OG 3.39Å; L299-S301 VanDerWaalsContact C-N 3.32Å; L299-S301 PolarHBondContact O-N 3.4Å |
| 302 | K | 90.6 | Very high | 95.1 | Very high | 99 Ų | 99 | 29.9 Ų | 29.9 | 43% | 0.43 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 1.4 | 176.1 | -61.2 | -58.8 | -176.4 | -179 | 0 | 113.3 | Y298 L299 E300 L304 | Y298-K302 HydrophobicContact CD1-CG 4.44Å; Y298-K302 HydrophobicContact CE1-CG 4.02Å; Y298-K302 VanDerWaalsContact CZ-CE 3.44Å; Y298-K302 WeakPolarHBondContact O-CG 3.48Å; Y298-K302 PolarHBondContact O-N 3.08Å; Y298-K302 WeakPolarHBondContact OH-CE 3.46Å; L299-K302 CarbonylContact O-C 3.49Å; L299-K302 WeakPolarHBondContact O-CA 3.46Å; L299-K302 PolarHBondContact O-N 3.47Å; E300-K302 PolarHBondContact O-N 3.5Å; K302-L304 HydrophobicContact CB-CD1 3.95Å; K302-L304 HydrophobicContact CB-CG 4.17Å; K302-L304 PolarHBondContact O-N 3.16Å |
| 303 | K | 90.9 | Very high | 95 | Very high | 151 Ų | 151 | 30.5 Ų | 30.5 | 66% | 0.657 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 33.5 | -175.1 | -53.9 | 179.8 | -179.3 | 178.8 | 0 | 112.8 | L299 E300 D333 | L299-K303 PolarHBondContact O-N 3.13Å; L299-K303 VanDerWaalsContact O-N 3.12Å; E300-K303 PolarHBondContact O-N 2.89Å; K303-D333 PolarHBondContact O-N 3.4Å |
| 304 | L | 90.6 | Very high | 94.9 | Very high | 8 Ų | 8 | 30.5 Ų | 30.5 | 4% | 0.042 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 129.9 | 177.2 | -72.3 | 170.3 | 0 | 0 | 0 | 109.4 | V235 L239 L299 K302 M332 | V235-L304 HydrophobicContact CG1-CD1 4.28Å; L239-L304 HydrophobicContact CD2-CD1 3.6Å; L299-L304 HydrophobicContact CD2-CB 4.45Å; L299-L304 PolarHBondContact O-N 2.88Å; K302-L304 HydrophobicContact CB-CD1 3.95Å; K302-L304 HydrophobicContact CB-CG 4.17Å; K302-L304 PolarHBondContact O-N 3.16Å; L304-M332 HydrophobicContact CD2-CE 3.92Å; L304-M332 HydrophobicContact CD2-CG 4.15Å; L304-M332 HydrophobicContact CD2-SD 3.64Å; L304-M332 HydrophobicContact CG-CE 4.48Å; L304-M332 HydrophobicContact CG-SD 4.22Å |
| 305 | V | 91.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 125.4 | 176.4 | -171.9 | 0 | 0 | 0 | 0 | 107.7 | R307 A330 K331 D333 F357 S358 D362 | V305-R307 HydrophobicContact CB-CG 4.3Å; V305-R307 HydrophobicContact CG1-CG 3.76Å; V305-A330 WeakPolarHBondContact O-CA 3.3Å; V305-K331 PolarHBondContact N-O 3.43Å; V305-K331 PolarHBondContact O-N 3.25Å; V305-D333 HydrophobicContact CG2-CB 3.88Å; V305-F357 HydrophobicContact CG1-CB 4.23Å; V305-S358 WeakPolarHBondContact CG1-O 3.28Å; V305-D362 WeakPolarHBondContact CA-OD2 3.33Å; V305-D362 VanDerWaalsContact CG1-OD2 3.3Å; V305-D362 WeakPolarHBondContact CG1-OD2 3.44Å |
| 306 | H | 92.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | -75.1 | -41 | -177.5 | -172.1 | -43.3 | 0 | 0 | 0 | 112.5 | M296 L299 D308 V324 S325 D326 D362 | M296-H306 HydrophobicContact CE-CB 3.97Å; M296-H306 HydrophobicContact SD-CB 4.45Å; L299-H306 HydrophobicContact CD1-CB 4.27Å; H306-D308 PolarHBondContact CE1-O 3.4Å; H306-D308 PolarHBondContact ND1-N 3.39Å; H306-D308 PolarHBondContact O-N 3.22Å; H306-V324 WeakPolarHBondContact CD2-CG1 3.48Å; H306-V324 WeakPolarHBondContact NE2-CG1 2.98Å; H306-S325 PolarHBondContact CE1-O 3.22Å; H306-S325 PolarHBondContact NE2-O 3.35Å; H306-S325 VanDerWaalsContact NE2-O 3.1Å; H306-D326 PolarHBondContact CE1-O 2.97Å; H306-D326 VanDerWaalsContact CE1-O 3.28Å; H306-D362 PolarHBondContact N-OD2 3.17Å | ||
| 307 | R | 91 | Very high | 94.7 | Very high | 18 Ų | 18 | 31.7 Ų | 31.7 | 7% | 0.068 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 68.1 | -14.7 | 177.6 | -50.2 | -172.3 | 179.2 | -175.4 | -16.9 | 117.6 | V305 L329 D338 F357 D362 | V305-R307 HydrophobicContact CB-CG 4.3Å; V305-R307 HydrophobicContact CG1-CG 3.76Å; R307-L329 HydrophobicContact CB-CB 4.3Å; R307-L329 VanDerWaalsContact CD-O 3.28Å; R307-L329 WeakPolarHBondContact CD-O 3.2Å; R307-D338 IonicContact CZ-OD2 2.95Å; R307-D338 IonicContact NH1-OD2 2.6Å; R307-D338 PolarHBondContact NH1-OD2 2.67Å; R307-F357 HydrophobicContact CB-CD1 4.1Å; R307-F357 HydrophobicContact CB-CE1 4.44Å; R307-F357 HydrophobicContact CG-CB 4.16Å; R307-F357 HydrophobicContact CG-CD1 3.86Å; R307-F357 HydrophobicContact CG-CG 4.08Å; R307-D362 PolarHBondContact N-OD1 3.25Å |
| 308 | D | 90.9 | Very high | 94.4 | Very high | 17 Ų | 17 | 34.6 Ų | 34.6 | 9% | 0.091 | 17% | 0.168 | C | C | . | . | trans | -136.2 | 45.7 | 175.9 | -166.2 | 19.6 | 0 | 0 | 0 | 112.7 | H306 A310 R312 N313 L329 P343 | H306-D308 PolarHBondContact CE1-O 3.4Å; H306-D308 PolarHBondContact ND1-N 3.39Å; H306-D308 PolarHBondContact O-N 3.22Å; D308-A310 PolarHBondContact O-N 2.77Å; D308-R312 IonicContact OD1-CZ 2.84Å; D308-R312 IonicContact OD1-NH2 2.7Å; D308-R312 PolarHBondContact OD1-NH2 3.36Å; D308-R312 IonicContact OD2-CZ 2.98Å; D308-R312 IonicContact OD2-NH2 3.81Å; D308-R312 PolarHBondContact OD2-NH2 3.42Å; D308-N313 PolarHBondContact O-ND2 3.22Å; D308-N313 PolarHBondContact OD2-ND2 2.96Å; D308-L329 HydrophobicContact CB-CD1 4.17Å; D308-P343 VanDerWaalsContact OD1-CG 3.28Å; D308-P343 WeakPolarHBondContact OD1-CG 3.46Å | ||
| 309 | L | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -73.6 | 116.7 | 174.9 | -177.4 | 65.5 | 0 | 0 | 0 | 110.4 | V292 M296 V324 S365 Y366 L369 | V292-L309 HydrophobicContact CG1-CD1 4.17Å; M296-L309 HydrophobicContact CE-CD2 4.04Å; M296-L309 HydrophobicContact CG-CD1 4.37Å; M296-L309 HydrophobicContact CG-CD2 3.85Å; M296-L309 HydrophobicContact SD-CD1 3.92Å; M296-L309 HydrophobicContact SD-CD2 3.89Å; M296-L309 HydrophobicContact SD-CG 4.43Å; L309-V324 HydrophobicContact CD1-CG1 4.01Å; L309-V324 HydrophobicContact CD1-CG2 4.45Å; L309-S365 WeakPolarHBondContact O-CB 3.39Å; L309-Y366 HydrophobicContact CD2-CD2 4.15Å; L309-Y366 HydrophobicContact CD2-CG 4.46Å; L309-L369 HydrophobicContact CD1-CD1 3.7Å; L309-L369 HydrophobicContact CD2-CD1 4.42Å; L309-L369 HydrophobicContact CG-CD1 3.78Å | ||
| 310 | A | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -157.4 | 160 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | D308 R312 N313 V314 W346 | D308-A310 PolarHBondContact O-N 2.77Å; A310-R312 HydrophobicContact CB-CG 4.12Å; A310-R312 PolarHBondContact O-N 3.09Å; A310-R312 VanDerWaalsContact O-N 3.11Å; A310-N313 PolarHBondContact O-N 2.8Å; A310-V314 PolarHBondContact O-N 3.27Å; A310-W346 HydrophobicContact CB-CD2 4.12Å; A310-W346 HydrophobicContact CB-CG 4.01Å; A310-W346 HydrophobicContact CB-CZ2 4.45Å |
| 311 | A | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -60.7 | -25.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | L268 V269 N313 V314 E372 | L268-A311 HydrophobicContact CB-CB 4.47Å; L268-A311 WeakPolarHBondContact CB-O 3.36Å; L268-A311 HydrophobicContact CD2-CB 4.39Å; L268-A311 HydrophobicContact CG-CB 4.47Å; V269-A311 HydrophobicContact CG2-CB 3.49Å; V269-A311 VanDerWaalsContact CG2-CB 3.49Å; A311-N313 PolarHBondContact O-N 2.89Å; A311-V314 PolarHBondContact O-N 3.18Å; A311-E372 HydrophobicContact CB-CB 3.98Å; A311-E372 HydrophobicContact CB-CG 4.47Å; A311-E372 PolarHBondContact N-OE2 2.81Å |
| 312 | R | 95 | Very high | 94.3 | Very high | 85 Ų | 85 | 36.5 Ų | 36.5 | 32% | 0.321 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -66.8 | -24.2 | 174.5 | 69.3 | 179.1 | -174.6 | -77 | -5.3 | 113.5 | N267 V269 D308 A310 | N267-R312 WeakPolarHBondContact CB-O 3.45Å; V269-R312 HydrophobicContact CG2-CB 4.3Å; D308-R312 IonicContact OD1-CZ 2.84Å; D308-R312 IonicContact OD1-NH2 2.7Å; D308-R312 PolarHBondContact OD1-NH2 3.36Å; D308-R312 IonicContact OD2-CZ 2.98Å; D308-R312 IonicContact OD2-NH2 3.81Å; D308-R312 PolarHBondContact OD2-NH2 3.42Å; A310-R312 HydrophobicContact CB-CG 4.12Å; A310-R312 PolarHBondContact O-N 3.09Å; A310-R312 VanDerWaalsContact O-N 3.11Å |
| 313 | N | 95.3 | Very high | 94.7 | Very high | 13 Ų | 13 | 33.1 Ų | 33.1 | 7% | 0.07 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -100.8 | 13.3 | 178.7 | -65.4 | -14.7 | 0 | 0 | 0 | 111.7 | D308 A310 A311 S325 D326 | D308-N313 PolarHBondContact O-ND2 3.22Å; D308-N313 PolarHBondContact OD2-ND2 2.96Å; A310-N313 PolarHBondContact O-N 2.8Å; A311-N313 PolarHBondContact O-N 2.89Å; N313-S325 VanDerWaalsContact C-OG 3.3Å; N313-S325 WeakPolarHBondContact O-CA 3.36Å; N313-S325 WeakPolarHBondContact O-CB 3.33Å; N313-S325 PolarHBondContact O-N 3Å; N313-S325 PolarHBondContact O-OG 3.32Å; N313-D326 HydrophobicContact CB-CB 4.35Å |
| 314 | V | 98 | Very high | 95 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 128.1 | 169.1 | 179 | 0 | 0 | 0 | 0 | 108.3 | N267 L268 V292 A310 A311 I316 A322 K323 L369 | N267-V314 CarbonylContact C-O 3.51Å; N267-V314 VanDerWaalsContact CA-O 3.24Å; N267-V314 WeakPolarHBondContact CA-O 3.26Å; L268-V314 HydrophobicContact CB-CB 3.98Å; L268-V314 HydrophobicContact CB-CG1 4.09Å; L268-V314 HydrophobicContact CD2-CB 4.1Å; L268-V314 HydrophobicContact CD2-CG1 3.89Å; L268-V314 PolarHBondContact N-O 3.11Å; V292-V314 HydrophobicContact CG2-CB 4.47Å; V292-V314 HydrophobicContact CG2-CG1 3.76Å; V292-V314 HydrophobicContact CG2-CG2 3.82Å; A310-V314 PolarHBondContact O-N 3.27Å; A311-V314 PolarHBondContact O-N 3.18Å; V314-I316 HydrophobicContact CG1-CD1 4.44Å; V314-A322 HydrophobicContact CG1-CB 3.81Å; V314-K323 WeakPolarHBondContact CA-O 3.49Å; V314-L369 HydrophobicContact CG2-CD1 3.84Å |
| 315 | L | 97.4 | Very high | 95.1 | Very high | 43 Ų | 43 | 26.2 Ų | 26.2 | 23% | 0.225 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 152 | 179.8 | -57.7 | -175.8 | 0 | 0 | 0 | 111 | V245 M263 G266 N267 K323 | V245-L315 HydrophobicContact CG2-CB 4.4Å; V245-L315 HydrophobicContact CG2-CD1 4.12Å; M263-L315 HydrophobicContact CB-CB 3.58Å; M263-L315 HydrophobicContact CB-CD1 3.99Å; M263-L315 HydrophobicContact CB-CG 4.37Å; M263-L315 HydrophobicContact CE-CB 4.02Å; M263-L315 WeakPolarHBondContact CE-O 3.49Å; M263-L315 HydrophobicContact CG-CB 3.57Å; M263-L315 HydrophobicContact CG-CD1 3.77Å; M263-L315 HydrophobicContact CG-CG 4.33Å; G266-L315 CarbonylContact O-C 3.49Å; G266-L315 WeakPolarHBondContact O-CA 3.42Å; N267-L315 HydrophobicContact CB-CD2 3.86Å; L315-K323 PolarHBondContact N-O 3.01Å; L315-K323 PolarHBondContact O-N 3.3Å |
| 316 | I | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 125.1 | -175.2 | -50.2 | -58 | 0 | 0 | 0 | 110.3 | M263 K265 G266 L268 F271 F288 V314 A322 | M263-I316 CarbonylContact C-O 3.58Å; M263-I316 VanDerWaalsContact CE-C 3.47Å; K265-I316 HydrophobicContact CB-CB 3.81Å; K265-I316 HydrophobicContact CB-CG2 3.88Å; K265-I316 WeakPolarHBondContact CB-O 3.47Å; K265-I316 HydrophobicContact CD-CG2 4.01Å; K265-I316 PolarHBondContact N-O 3.43Å; K265-I316 VanDerWaalsContact N-O 3.16Å; G266-I316 PolarHBondContact O-N 2.93Å; L268-I316 HydrophobicContact CB-CD1 4.12Å; L268-I316 HydrophobicContact CB-CG1 4.37Å; L268-I316 HydrophobicContact CD1-CD1 3.77Å; L268-I316 HydrophobicContact CD1-CG1 4.28Å; L268-I316 HydrophobicContact CG-CD1 4.41Å; F271-I316 HydrophobicContact CB-CG1 4.28Å; F271-I316 HydrophobicContact CG-CG1 4.26Å; F288-I316 HydrophobicContact CD1-CD1 4.2Å; F288-I316 HydrophobicContact CE1-CD1 3.97Å; F288-I316 HydrophobicContact CE1-CG2 4.33Å; F288-I316 HydrophobicContact CZ-CD1 4.43Å; V314-I316 HydrophobicContact CG1-CD1 4.44Å; I316-A322 HydrophobicContact CD1-CB 3.77Å |
| 317 | S | 94.5 | Very high | 94 | Very high | 14 Ų | 14 | 28.2 Ų | 28.2 | 10% | 0.098 | 15% | 0.147 | C | C | . | . | trans | -76.3 | 173 | 177.9 | 71.5 | 0 | 0 | 0 | 0 | 111.2 | K265 D319 S320 V321 | K265-S317 WeakPolarHBondContact CD-O 3.41Å; S317-D319 VanDerWaalsContact C-N 3.26Å; S317-D319 PolarHBondContact O-N 3.49Å; S317-D319 PolarHBondContact OG-N 3.4Å; S317-S320 PolarHBondContact O-N 2.77Å; S317-V321 PolarHBondContact N-O 2.78Å; S317-V321 WeakPolarHBondContact OG-CB 3.28Å; S317-V321 PolarHBondContact OG-N 2.95Å; S317-V321 VanDerWaalsContact OG-N 3.08Å; S317-V321 PolarHBondContact OG-O 2.6Å | ||
| 318 | D | 91.6 | Very high | 92.8 | Very high | 105 Ų | 105 | 28.3 Ų | 28.3 | 56% | 0.561 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -36.7 | 176.6 | -155.3 | 52.1 | 0 | 0 | 0 | 112.7 | T264 K265 S320 | T264-D318 WeakPolarHBondContact OG1-CA 3.23Å; T264-D318 WeakPolarHBondContact OG1-CB 3.36Å; T264-D318 PolarHBondContact OG1-N 3.34Å; T264-D318 PolarHBondContact OG1-OD1 2.71Å; T264-D318 VanDerWaalsContact OG1-OD1 3.12Å; K265-D318 VanDerWaalsContact CE-O 3.25Å; K265-D318 WeakPolarHBondContact CE-O 3.39Å; K265-D318 PolarHBondContact NZ-O 3.42Å; D318-S320 PolarHBondContact O-N 3.29Å; D318-S320 VanDerWaalsContact O-N 3.12Å |
| 319 | D | 92.2 | Very high | 91.5 | Very high | 137 Ų | 137 | 30 Ų | 30 | 73% | 0.733 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | 9.9 | 175.5 | -53.6 | -55.2 | 0 | 0 | 0 | 114.2 | S317 V321 | S317-D319 VanDerWaalsContact C-N 3.26Å; S317-D319 PolarHBondContact O-N 3.49Å; S317-D319 PolarHBondContact OG-N 3.4Å; D319-V321 VanDerWaalsContact C-N 3.31Å; D319-V321 HydrophobicContact CB-CG2 4.38Å; D319-V321 PolarHBondContact O-N 3.08Å |
| 320 | S | 93.8 | Very high | 90 | Very high | 31 Ų | 31 | 30.7 Ų | 30.7 | 22% | 0.217 | 17% | 0.168 | C | C | . | . | trans | 61.8 | 35.4 | -177.5 | -40.8 | 0 | 0 | 0 | 0 | 113.7 | K265 F288 S317 D318 | K265-S320 PolarHBondContact NZ-OG 2.9Å; F288-S320 WeakPolarHBondContact CE1-O 3.41Å; S317-S320 PolarHBondContact O-N 2.77Å; D318-S320 PolarHBondContact O-N 3.29Å; D318-S320 VanDerWaalsContact O-N 3.12Å | ||
| 321 | V | 97.2 | Very high | 88.7 | Confident | 44 Ų | 44 | 34.2 Ų | 34.2 | 27% | 0.267 | 18% | 0.184 | S | C | . | . | trans | -91.2 | 130.2 | 169.9 | 179.6 | 0 | 0 | 0 | 0 | 108.8 | S317 D319 | S317-V321 PolarHBondContact N-O 2.78Å; S317-V321 WeakPolarHBondContact OG-CB 3.28Å; S317-V321 PolarHBondContact OG-N 2.95Å; S317-V321 VanDerWaalsContact OG-N 3.08Å; S317-V321 PolarHBondContact OG-O 2.6Å; D319-V321 VanDerWaalsContact C-N 3.31Å; D319-V321 HydrophobicContact CB-CG2 4.38Å; D319-V321 PolarHBondContact O-N 3.08Å | ||
| 322 | A | 98.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 134.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | N243 F288 D291 V292 V314 I316 | N243-A322 PolarHBondContact ND2-O 2.86Å; F288-A322 HydrophobicContact CB-CB 4.36Å; F288-A322 HydrophobicContact CD1-CB 3.87Å; F288-A322 HydrophobicContact CG-CB 4.49Å; D291-A322 HydrophobicContact CB-CB 3.79Å; D291-A322 PolarHBondContact OD2-N 2.98Å; V292-A322 HydrophobicContact CG2-CB 4.22Å; V314-A322 HydrophobicContact CG1-CB 3.81Å; I316-A322 HydrophobicContact CD1-CB 3.77Å |
| 323 | K | 98.4 | Very high | 85.7 | Confident | 29 Ų | 29 | 38.4 Ų | 38.4 | 13% | 0.126 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 133.9 | 175.5 | -51.8 | -168.5 | -178 | -171.3 | 0 | 111.3 | K242 N243 V245 E261 M263 V314 L315 | K242-K323 WeakPolarHBondContact O-CD 3.4Å; K242-K323 WeakPolarHBondContact O-CE 3.38Å; N243-K323 CarbonylContact O-C 3.55Å; N243-K323 VanDerWaalsContact O-CA 3.26Å; N243-K323 WeakPolarHBondContact O-CA 3.46Å; V245-K323 HydrophobicContact CG2-CB 3.78Å; E261-K323 IonicContact OE1-NZ 2.7Å; E261-K323 PolarHBondContact OE1-NZ 3.04Å; E261-K323 IonicContact OE2-NZ 2.78Å; E261-K323 PolarHBondContact OE2-NZ 2.83Å; M263-K323 HydrophobicContact CE-CB 3.83Å; M263-K323 HydrophobicContact CE-CD 3.7Å; M263-K323 HydrophobicContact CE-CG 3.58Å; M263-K323 HydrophobicContact SD-CD 3.98Å; V314-K323 WeakPolarHBondContact CA-O 3.49Å; L315-K323 PolarHBondContact N-O 3.01Å; L315-K323 PolarHBondContact O-N 3.3Å |
| 324 | V | 97.5 | Very high | 83.8 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 138.8 | 175.4 | -172.8 | 0 | 0 | 0 | 0 | 109.7 | N243 L244 V245 V292 M296 H306 L309 | N243-V324 PolarHBondContact O-N 3.45Å; L244-V324 HydrophobicContact CD2-CB 3.73Å; L244-V324 HydrophobicContact CD2-CG2 4.25Å; V245-V324 PolarHBondContact N-O 3.38Å; V292-V324 HydrophobicContact CB-CG2 4.42Å; V292-V324 HydrophobicContact CG1-CG2 3.95Å; V292-V324 HydrophobicContact CG2-CG2 4.44Å; M296-V324 HydrophobicContact SD-CG1 4.34Å; M296-V324 HydrophobicContact SD-CG2 4.48Å; H306-V324 WeakPolarHBondContact CD2-CG1 3.48Å; H306-V324 WeakPolarHBondContact NE2-CG1 2.98Å; L309-V324 HydrophobicContact CD1-CG1 4.01Å; L309-V324 HydrophobicContact CD1-CG2 4.45Å |
| 325 | S | 92.6 | Very high | 81.8 | Confident | 13 Ų | 13 | 49 Ų | 49 | 9% | 0.091 | 26% | 0.26 | C | S | . | . | trans | -136.7 | 179.2 | -174.7 | 74.1 | 0 | 0 | 0 | 0 | 111.5 | H306 N313 | H306-S325 PolarHBondContact CE1-O 3.22Å; H306-S325 PolarHBondContact NE2-O 3.35Å; H306-S325 VanDerWaalsContact NE2-O 3.1Å; N313-S325 VanDerWaalsContact C-OG 3.3Å; N313-S325 WeakPolarHBondContact O-CA 3.36Å; N313-S325 WeakPolarHBondContact O-CB 3.33Å; N313-S325 PolarHBondContact O-N 3Å; N313-S325 PolarHBondContact O-OG 3.32Å | ||
| 326 | D | 83.1 | Confident | 79.6 | Confident | 40 Ų | 40 | 53 Ų | 53 | 21% | 0.214 | 28% | 0.277 | C | S | . | . | trans | 59.4 | 67.6 | 175.8 | -151.4 | 16.7 | 0 | 0 | 0 | 114.5 | K218 H306 N313 G328 | K218-D326 IonicContact NZ-OD1 2.8Å; K218-D326 PolarHBondContact NZ-OD1 2.92Å; H306-D326 PolarHBondContact CE1-O 2.97Å; H306-D326 VanDerWaalsContact CE1-O 3.28Å; N313-D326 HydrophobicContact CB-CB 4.35Å; D326-G328 PolarHBondContact O-N 2.85Å | ||
| 327 | F | 78.3 | Confident | 77.4 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 1% | 0.013 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -81.5 | 16.1 | 177.3 | -53.1 | -78.3 | 0 | 0 | 0 | 113.1 | V235 M236 L239 L244 L299 L329 A330 | V235-F327 HydrophobicContact CG1-CB 4.33Å; M236-F327 HydrophobicContact CE-CD2 4.36Å; M236-F327 HydrophobicContact CG-CB 4.3Å; M236-F327 HydrophobicContact CG-CD2 3.69Å; M236-F327 HydrophobicContact CG-CE2 4.49Å; M236-F327 HydrophobicContact CG-CG 4.34Å; M236-F327 HydrophobicContact SD-CD2 4.27Å; L239-F327 HydrophobicContact CD1-CD1 3.82Å; L239-F327 HydrophobicContact CD1-CD2 4.14Å; L239-F327 HydrophobicContact CD1-CE1 3.74Å; L239-F327 HydrophobicContact CD1-CE2 4.06Å; L239-F327 HydrophobicContact CD1-CG 4.02Å; L239-F327 HydrophobicContact CD1-CZ 3.87Å; L244-F327 HydrophobicContact CB-CZ 4.18Å; L244-F327 HydrophobicContact CD1-CZ 4.45Å; L244-F327 HydrophobicContact CD2-CE1 4.26Å; L244-F327 HydrophobicContact CD2-CZ 4.01Å; L244-F327 HydrophobicContact CG-CZ 4.44Å; L299-F327 HydrophobicContact CD1-CE1 4.06Å; L299-F327 HydrophobicContact CD2-CE1 4.34Å; F327-L329 PolarHBondContact O-N 3.18Å; F327-L329 VanDerWaalsContact O-N 3.1Å; F327-A330 HydrophobicContact CB-CB 3.89Å; F327-A330 HydrophobicContact CD1-CB 4.44Å; F327-A330 VanDerWaalsContact O-CB 3.25Å; F327-A330 WeakPolarHBondContact O-CB 3.28Å; F327-A330 PolarHBondContact O-N 3.39Å |
| 328 | G | 66.2 | Low | 75.5 | Confident | 20 Ų | 20 | 59.8 Ų | 59.8 | 21% | 0.206 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -60.1 | -22.2 | -175 | 0 | 0 | 0 | 0 | 0 | 114.6 | D326 | D326-G328 PolarHBondContact O-N 2.85Š|
| 329 | L | 61.9 | Low | 73.7 | Confident | 52 Ų | 52 | 63.8 Ų | 63.8 | 27% | 0.272 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -106.8 | 1.7 | 173.8 | -61.1 | -179.7 | 0 | 0 | 0 | 113.3 | R307 D308 F327 K331 | R307-L329 HydrophobicContact CB-CB 4.3Å; R307-L329 VanDerWaalsContact CD-O 3.28Å; R307-L329 WeakPolarHBondContact CD-O 3.2Å; D308-L329 HydrophobicContact CB-CD1 4.17Å; F327-L329 PolarHBondContact O-N 3.18Å; F327-L329 VanDerWaalsContact O-N 3.1Å; L329-K331 PolarHBondContact O-N 3.44Å |
| 330 | A | 65.2 | Low | 72.1 | Confident | 15 Ų | 15 | 59 Ų | 59 | 12% | 0.124 | 31% | 0.308 | C | S | . | . | trans | -69.7 | 133 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V235 V305 F327 | V235-A330 HydrophobicContact CG1-CB 4.14Å; V305-A330 WeakPolarHBondContact O-CA 3.3Å; F327-A330 HydrophobicContact CB-CB 3.89Å; F327-A330 HydrophobicContact CD1-CB 4.44Å; F327-A330 VanDerWaalsContact O-CB 3.25Å; F327-A330 WeakPolarHBondContact O-CB 3.28Å; F327-A330 PolarHBondContact O-N 3.39Å | ||
| 331 | K | 70.1 | Confident | 70.9 | Confident | 75 Ų | 75 | 66.4 Ų | 66.4 | 33% | 0.326 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 155.5 | 179.9 | -163.6 | 175.7 | 174.9 | -169.1 | 0 | 110 | V305 L329 E336 | V305-K331 PolarHBondContact N-O 3.43Å; V305-K331 PolarHBondContact O-N 3.25Å; L329-K331 PolarHBondContact O-N 3.44Å; K331-E336 IonicContact NZ-OE2 2.74Å; K331-E336 PolarHBondContact NZ-OE2 2.87Å |
| 332 | M | 67.5 | Low | 69.8 | Low | 94 Ų | 94 | 66.3 Ų | 66.3 | 46% | 0.463 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 141.6 | 166.3 | -71.5 | -68.3 | -177.7 | 0 | 0 | 109.8 | L304 S334 | L304-M332 HydrophobicContact CD2-CE 3.92Å; L304-M332 HydrophobicContact CD2-CG 4.15Å; L304-M332 HydrophobicContact CD2-SD 3.64Å; L304-M332 HydrophobicContact CG-CE 4.48Å; L304-M332 HydrophobicContact CG-SD 4.22Å; M332-S334 PolarHBondContact O-N 3.48Å; M332-S334 VanDerWaalsContact O-N 3.1Å |
| 333 | D | 62.6 | Low | 69.3 | Low | 79 Ų | 79 | 67.3 Ų | 67.3 | 42% | 0.422 | 34% | 0.34 | S | S | . | . | trans | -57.1 | 117.4 | 176.5 | -165.7 | -4.6 | 0 | 0 | 0 | 110 | K303 V305 | K303-D333 PolarHBondContact O-N 3.4Å; V305-D333 HydrophobicContact CG2-CB 3.88Å | ||
| 334 | S | 56.2 | Low | 69 | Low | 28 Ų | 28 | 67.6 Ų | 67.6 | 20% | 0.196 | 34% | 0.344 | C | S | . | . | trans | -143.6 | 141.4 | -173.1 | 73.1 | 0 | 0 | 0 | 0 | 109.4 | M332 E336 | M332-S334 PolarHBondContact O-N 3.48Å; M332-S334 VanDerWaalsContact O-N 3.1Å; S334-E336 PolarHBondContact O-N 3.4Å | ||
| 335 | K | 55.1 | Low | 68.9 | Low | 208 Ų | 208 | 68.1 Ų | 68.1 | 90% | 0.904 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -76.4 | 5.2 | 177.8 | -64.2 | -177.6 | -178.4 | 174.5 | 0 | 114.1 | ||
| 336 | E | 51.8 | Low | 69.1 | Low | 127 Ų | 127 | 69 Ų | 69 | 59% | 0.593 | 35% | 0.348 | S | S | * | . | trans | -78.3 | 143 | -177.5 | -65.5 | -179 | 162.6 | 0 | 0 | 112.2 | K331 S334 | K331-E336 IonicContact NZ-OE2 2.74Å; K331-E336 PolarHBondContact NZ-OE2 2.87Å; S334-E336 PolarHBondContact O-N 3.4Å | ||
| 337 | T | 50.6 | Low | 69.7 | Low | 100 Ų | 100 | 67.4 Ų | 67.4 | 61% | 0.613 | 34% | 0.34 | S | S | * | . | trans | -80 | 141.2 | 176.1 | 51.3 | 0 | 0 | 0 | 0 | 111.1 | E355 | T337-E355 WeakPolarHBondContact CB-OE2 3.07Å; T337-E355 HydrophobicContact CG2-CB 4.22Å | ||
| 338 | D | 56.3 | Low | 70.5 | Confident | 56 Ų | 56 | 67.3 Ų | 67.3 | 30% | 0.299 | 34% | 0.34 | S | S | . | . | trans | -137.7 | 128.5 | -173.1 | -160.1 | -14.5 | 0 | 0 | 0 | 111.1 | R307 A340 E355 | R307-D338 IonicContact CZ-OD2 2.95Å; R307-D338 IonicContact NH1-OD2 2.6Å; R307-D338 PolarHBondContact NH1-OD2 2.67Å; D338-A340 VanDerWaalsContact C-N 3.35Å; D338-A340 PolarHBondContact O-N 2.92Å; D338-E355 PolarHBondContact N-OE2 3.12Å; D338-E355 VanDerWaalsContact O-CD 3.3Å | ||
| 339 | K | 53 | Low | 71.8 | Confident | 189 Ų | 189 | 66.7 Ų | 66.7 | 82% | 0.822 | 33% | 0.332 | S | S | * | . | trans | -93.8 | 32.5 | -171.1 | -66.8 | -172.3 | 177.6 | -177.4 | 0 | 113.7 | ||||
| 340 | A | 59.5 | Low | 73.3 | Confident | 36 Ų | 36 | 65.6 Ų | 65.6 | 30% | 0.298 | 33% | 0.326 | S | S | . | . | trans | -68.7 | 150.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D338 L342 | D338-A340 VanDerWaalsContact C-N 3.35Å; D338-A340 PolarHBondContact O-N 2.92Å; A340-L342 HydrophobicContact CB-CD2 4.18Å; A340-L342 WeakPolarHBondContact O-CG 3.49Å; A340-L342 PolarHBondContact O-N 2.96Å | ||
| 341 | K | 67.1 | Low | 74.4 | Confident | 187 Ų | 187 | 64.9 Ų | 64.9 | 81% | 0.813 | 32% | 0.32 | S | S | * | . | trans | -66.8 | 115.1 | 167.2 | -77 | -178.1 | -178.1 | 173.3 | 0 | 108.2 | ||||
| 342 | L | 74.1 | Confident | 75.1 | Confident | 41 Ų | 41 | 62.9 Ų | 62.9 | 22% | 0.215 | 31% | 0.312 | C | S | . | . | trans | -95.5 | 143.7 | -172.4 | -57 | 177.1 | 0 | 0 | 0 | 112.7 | A340 V344 T347 F357 | A340-L342 HydrophobicContact CB-CD2 4.18Å; A340-L342 WeakPolarHBondContact O-CG 3.49Å; A340-L342 PolarHBondContact O-N 2.96Å; L342-V344 VanDerWaalsContact C-N 3.3Å; L342-V344 PolarHBondContact O-N 3.28Å; L342-T347 HydrophobicContact CD1-CG2 4.21Å; L342-F357 HydrophobicContact CD1-CE1 4.36Å; L342-F357 HydrophobicContact CD1-CZ 3.64Å; L342-F357 HydrophobicContact CD2-CE1 3.93Å; L342-F357 HydrophobicContact CD2-CE2 4.42Å; L342-F357 HydrophobicContact CD2-CZ 3.41Å; L342-F357 VanDerWaalsContact CD2-CZ 3.41Å; L342-F357 HydrophobicContact CG-CZ 4.15Å | ||
| 343 | P | 88.6 | Confident | 75.9 | Confident | 21 Ų | 21 | 65.3 Ų | 65.3 | 14% | 0.136 | 32% | 0.32 | C | S | . | . | trans | -72.8 | 82.6 | 172.6 | 34.6 | -39.3 | 0 | 0 | 0 | 109.8 | D308 K345 W346 T347 | D308-P343 VanDerWaalsContact OD1-CG 3.28Å; D308-P343 WeakPolarHBondContact OD1-CG 3.46Å; P343-K345 VanDerWaalsContact C-N 3.27Å; P343-K345 PolarHBondContact O-N 3.47Å; P343-W346 HydrophobicContact CB-CE3 4.08Å; P343-W346 PolarHBondContact O-N 2.74Å; P343-T347 PolarHBondContact O-N 3.46Å; P343-T347 VanDerWaalsContact O-N 3.12Å; P343-T347 PolarHBondContact O-OG1 2.91Å | ||
| 344 | V | 91.5 | Very high | 76.7 | Confident | 35 Ų | 35 | 67.2 Ų | 67.2 | 21% | 0.212 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48 | -43.7 | -166.9 | 177.6 | 0 | 0 | 0 | 0 | 114 | L342 W346 T347 L352 L386 | L342-V344 VanDerWaalsContact C-N 3.3Å; L342-V344 PolarHBondContact O-N 3.28Å; V344-W346 VanDerWaalsContact C-N 3.27Å; V344-W346 PolarHBondContact O-N 3.06Å; V344-T347 PolarHBondContact O-N 3.49Å; V344-L352 HydrophobicContact CB-CD2 4.46Å; V344-L352 HydrophobicContact CG1-CD1 4.23Å; V344-L352 HydrophobicContact CG1-CD2 4.26Å; V344-L352 HydrophobicContact CG2-CD2 4.33Å; V344-L386 HydrophobicContact CB-CD2 4.31Å; V344-L386 HydrophobicContact CG1-CB 4.46Å |
| 345 | K | 96.3 | Very high | 77.9 | Confident | 12 Ų | 12 | 68.7 Ų | 68.7 | 5% | 0.052 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -25.4 | -177.8 | -67.1 | -175.2 | 169.3 | -159.3 | 0 | 113.8 | P343 Q379 P380 Y381 L386 V389 | P343-K345 VanDerWaalsContact C-N 3.27Å; P343-K345 PolarHBondContact O-N 3.47Å; K345-Q379 VanDerWaalsContact NZ-OE1 3.11Å; K345-P380 HydrophobicContact CB-CB 4.45Å; K345-P380 WeakPolarHBondContact CD-O 3.27Å; K345-P380 WeakPolarHBondContact CE-O 3.4Å; K345-P380 PolarHBondContact NZ-O 2.94Å; K345-Y381 HydrophobicContact CB-CD2 4.03Å; K345-Y381 HydrophobicContact CB-CE2 4.3Å; K345-Y381 HydrophobicContact CD-CD2 4.46Å; K345-Y381 HydrophobicContact CG-CD2 4.16Å; K345-Y381 PolarHBondContact NZ-O 3.35Å; K345-Y381 WeakPolarHBondContact O-CE2 3.47Å; K345-L386 HydrophobicContact CD-CD2 4.36Å; K345-L386 HydrophobicContact CG-CD2 3.95Å; K345-V389 HydrophobicContact CG-CG2 4.45Å |
| 346 | W | 97 | Very high | 79.2 | Confident | 31 Ų | 31 | 64.4 Ų | 64.4 | 12% | 0.117 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -14.7 | 178.9 | -67.7 | -98.9 | 0 | 0 | 0 | 112.7 | A310 P343 V344 W364 S365 V368 E372 P380 | A310-W346 HydrophobicContact CB-CD2 4.12Å; A310-W346 HydrophobicContact CB-CG 4.01Å; A310-W346 HydrophobicContact CB-CZ2 4.45Å; P343-W346 HydrophobicContact CB-CE3 4.08Å; P343-W346 PolarHBondContact O-N 2.74Å; V344-W346 VanDerWaalsContact C-N 3.27Å; V344-W346 PolarHBondContact O-N 3.06Å; W346-W364 VanDerWaalsContact O-CD1 3.31Å; W346-S365 WeakPolarHBondContact O-CA 3.34Å; W346-S365 PolarHBondContact O-OG 2.91Å; W346-V368 VanDerWaalsContact CD1-CG1 3.45Å; W346-V368 HydrophobicContact CD2-CG1 4.45Å; W346-V368 HydrophobicContact CG-CB 4.45Å; W346-V368 HydrophobicContact CG-CG1 3.98Å; W346-E372 WeakPolarHBondContact CZ2-OE1 3.37Å; W346-E372 VanDerWaalsContact NE1-CD 3.32Å; W346-E372 PolarHBondContact NE1-OE2 3Å; W346-P380 HydrophobicContact CH2-CG 4.38Å; W346-P380 HydrophobicContact CZ2-CG 3.69Å |
| 347 | T | 94.8 | Very high | 80.9 | Confident | 6 Ų | 6 | 58.8 Ų | 58.8 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -82.3 | 134.7 | -171.2 | -54.3 | 0 | 0 | 0 | 0 | 111.4 | L342 P343 V344 A351 L352 | L342-T347 HydrophobicContact CD1-CG2 4.21Å; P343-T347 PolarHBondContact O-N 3.46Å; P343-T347 VanDerWaalsContact O-N 3.12Å; P343-T347 PolarHBondContact O-OG1 2.91Å; V344-T347 PolarHBondContact O-N 3.49Å; T347-A351 HydrophobicContact CG2-CB 3.59Å; T347-L352 HydrophobicContact CG2-CD2 3.73Å; T347-L352 HydrophobicContact CG2-CG 3.69Å |
| 348 | A | 95.7 | Very high | 83 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | trans | -62.9 | 150.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E350 A351 L352 W364 | A348-E350 VanDerWaalsContact C-N 3.3Å; A348-E350 VanDerWaalsContact CB-OE1 3.24Å; A348-E350 WeakPolarHBondContact CB-OE1 3.43Å; A348-E350 WeakPolarHBondContact CB-OE2 3.19Å; A348-E350 PolarHBondContact O-N 2.74Å; A348-A351 HydrophobicContact CB-CB 4.43Å; A348-A351 PolarHBondContact O-N 3.21Å; A348-L352 PolarHBondContact O-N 3.33Å; A348-W364 HydrophobicContact CB-CB 3.7Å; A348-W364 HydrophobicContact CB-CD2 4.14Å; A348-W364 HydrophobicContact CB-CG 3.7Å | ||
| 349 | P | 93.5 | Very high | 84.8 | Confident | 7 Ų | 7 | 53.5 Ų | 53.5 | 5% | 0.045 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.4 | -39.9 | -176.5 | -19.6 | 27.8 | 0 | 0 | 0 | 113.3 | A351 L352 K353 W364 V393 | P349-A351 VanDerWaalsContact C-N 3.34Å; P349-A351 PolarHBondContact O-N 2.79Å; P349-L352 PolarHBondContact O-N 3.43Å; P349-K353 WeakPolarHBondContact O-CB 3.47Å; P349-K353 PolarHBondContact O-N 2.82Å; P349-W364 HydrophobicContact CG-CE3 4.37Å; P349-W364 HydrophobicContact CG-CH2 3.66Å; P349-W364 HydrophobicContact CG-CZ2 4.08Å; P349-W364 HydrophobicContact CG-CZ3 3.82Å; P349-V393 HydrophobicContact CG-CG1 3.77Å |
| 350 | E | 92.3 | Very high | 86.9 | Confident | 30 Ų | 30 | 46.9 Ų | 46.9 | 14% | 0.14 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.4 | -30.8 | 178.6 | 72 | -75.9 | -178.1 | 0 | 0 | 113.3 | A348 K354 P421 R424 | A348-E350 VanDerWaalsContact C-N 3.3Å; A348-E350 VanDerWaalsContact CB-OE1 3.24Å; A348-E350 WeakPolarHBondContact CB-OE1 3.43Å; A348-E350 WeakPolarHBondContact CB-OE2 3.19Å; A348-E350 PolarHBondContact O-N 2.74Å; E350-K354 WeakPolarHBondContact O-CB 3.49Å; E350-K354 PolarHBondContact O-N 3.05Å; E350-P421 HydrophobicContact CB-CG 4.42Å; E350-P421 VanDerWaalsContact CD-CG 3.49Å; E350-P421 HydrophobicContact CG-CG 3.78Å; E350-R424 IonicContact OE1-CZ 3.98Å; E350-R424 IonicContact OE1-NH1 2.74Å; E350-R424 PolarHBondContact OE1-NH1 3.23Å; E350-R424 IonicContact OE1-NH2 2.68Å; E350-R424 PolarHBondContact OE1-NH2 2.9Å; E350-R424 IonicContact OE2-CZ 2.79Å; E350-R424 IonicContact OE2-NH1 3.74Å; E350-R424 IonicContact OE2-NH2 3.8Å; E350-R424 PolarHBondContact OE2-NH2 2.7Å |
| 351 | A | 88.6 | Confident | 88.7 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -74.9 | -38.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | T347 A348 P349 E355 F357 | T347-A351 HydrophobicContact CG2-CB 3.59Å; A348-A351 HydrophobicContact CB-CB 4.43Å; A348-A351 PolarHBondContact O-N 3.21Å; P349-A351 VanDerWaalsContact C-N 3.34Å; P349-A351 PolarHBondContact O-N 2.79Å; A351-E355 WeakPolarHBondContact O-CA 3.42Å; A351-E355 PolarHBondContact O-N 3.47Å; A351-F357 HydrophobicContact CB-CD1 4.06Å; A351-F357 HydrophobicContact CB-CE1 3.86Å; A351-F357 HydrophobicContact CB-CZ 4.27Å |
| 352 | L | 85.9 | Confident | 90.1 | Very high | 32 Ų | 32 | 36.5 Ų | 36.5 | 17% | 0.168 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.2 | -37.1 | 173.4 | -71.9 | 175.6 | 0 | 0 | 0 | 113.6 | V344 T347 A348 P349 K390 | V344-L352 HydrophobicContact CB-CD2 4.46Å; V344-L352 HydrophobicContact CG1-CD1 4.23Å; V344-L352 HydrophobicContact CG1-CD2 4.26Å; V344-L352 HydrophobicContact CG2-CD2 4.33Å; T347-L352 HydrophobicContact CG2-CD2 3.73Å; T347-L352 HydrophobicContact CG2-CG 3.69Å; A348-L352 PolarHBondContact O-N 3.33Å; P349-L352 PolarHBondContact O-N 3.43Å; L352-K390 HydrophobicContact CD1-CG 4.45Å |
| 353 | K | 83.5 | Confident | 91.3 | Very high | 146 Ų | 146 | 34.5 Ų | 34.5 | 64% | 0.635 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -89.9 | -38.2 | -173.7 | -175.4 | 170.7 | -176.5 | 166.1 | 0 | 113.8 | P349 | P349-K353 WeakPolarHBondContact O-CB 3.47Å; P349-K353 PolarHBondContact O-N 2.82Å |
| 354 | K | 80.5 | Confident | 91.8 | Very high | 119 Ų | 119 | 33.6 Ų | 33.6 | 52% | 0.517 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -122.3 | 4.5 | -169.5 | -57.6 | -177.3 | -178.9 | 177.8 | 0 | 113 | E350 K356 | E350-K354 WeakPolarHBondContact O-CB 3.49Å; E350-K354 PolarHBondContact O-N 3.05Å; K354-K356 HydrophobicContact CB-CB 4.5Å; K354-K356 HydrophobicContact CB-CD 4.07Å; K354-K356 HydrophobicContact CB-CG 3.87Å; K354-K356 HydrophobicContact CD-CD 4.42Å; K354-K356 WeakPolarHBondContact O-CG 3.48Å; K354-K356 PolarHBondContact O-N 3.01Å; K354-K356 VanDerWaalsContact O-N 3.13Å |
| 355 | E | 79.9 | Confident | 92.1 | Very high | 59 Ų | 59 | 32.1 Ų | 32.1 | 28% | 0.276 | 15% | 0.149 | S | C | . | . | trans | 53.4 | 31.9 | -175.2 | -59.8 | 177.7 | 176.6 | 0 | 0 | 112.3 | T337 D338 A351 | T337-E355 WeakPolarHBondContact CB-OE2 3.07Å; T337-E355 HydrophobicContact CG2-CB 4.22Å; D338-E355 PolarHBondContact N-OE2 3.12Å; D338-E355 VanDerWaalsContact O-CD 3.3Å; A351-E355 WeakPolarHBondContact O-CA 3.42Å; A351-E355 PolarHBondContact O-N 3.47Å | ||
| 356 | K | 83.4 | Confident | 92.2 | Very high | 117 Ų | 117 | 31.6 Ų | 31.6 | 51% | 0.509 | 15% | 0.147 | S | C | . | . | trans | -96.3 | 97.9 | -179.4 | -69.1 | -172.9 | -178.5 | -170.5 | 0 | 110.9 | K354 | K354-K356 HydrophobicContact CB-CB 4.5Å; K354-K356 HydrophobicContact CB-CD 4.07Å; K354-K356 HydrophobicContact CB-CG 3.87Å; K354-K356 HydrophobicContact CD-CD 4.42Å; K354-K356 WeakPolarHBondContact O-CG 3.48Å; K354-K356 PolarHBondContact O-N 3.01Å; K354-K356 VanDerWaalsContact O-N 3.13Å | ||
| 357 | F | 87.6 | Confident | 92.3 | Very high | 10 Ų | 10 | 30.1 Ų | 30.1 | 4% | 0.044 | 14% | 0.141 | C | C | . | . | trans | -90.7 | 140.7 | 173.6 | -59.8 | -86 | 0 | 0 | 0 | 110.8 | V305 R307 L342 A351 | V305-F357 HydrophobicContact CG1-CB 4.23Å; R307-F357 HydrophobicContact CB-CD1 4.1Å; R307-F357 HydrophobicContact CB-CE1 4.44Å; R307-F357 HydrophobicContact CG-CB 4.16Å; R307-F357 HydrophobicContact CG-CD1 3.86Å; R307-F357 HydrophobicContact CG-CG 4.08Å; L342-F357 HydrophobicContact CD1-CE1 4.36Å; L342-F357 HydrophobicContact CD1-CZ 3.64Å; L342-F357 HydrophobicContact CD2-CE1 3.93Å; L342-F357 HydrophobicContact CD2-CE2 4.42Å; L342-F357 HydrophobicContact CD2-CZ 3.41Å; L342-F357 VanDerWaalsContact CD2-CZ 3.41Å; L342-F357 HydrophobicContact CG-CZ 4.15Å; A351-F357 HydrophobicContact CB-CD1 4.06Å; A351-F357 HydrophobicContact CB-CE1 3.86Å; A351-F357 HydrophobicContact CB-CZ 4.27Å | ||
| 358 | S | 93.3 | Very high | 92.5 | Very high | 26 Ų | 26 | 29.8 Ų | 29.8 | 18% | 0.182 | 14% | 0.139 | C | C | . | . | trans | -157.6 | 173.2 | 176.8 | 61.5 | 0 | 0 | 0 | 0 | 110.1 | V305 K360 S361 D362 | V305-S358 WeakPolarHBondContact CG1-O 3.28Å; S358-K360 PolarHBondContact O-N 2.89Å; S358-K360 VanDerWaalsContact O-N 3.09Å; S358-K360 PolarHBondContact OG-N 3.29Å; S358-S361 PolarHBondContact N-OG 2.96Å; S358-S361 PolarHBondContact O-N 3.32Å; S358-S361 PolarHBondContact O-OG 3Å; S358-S361 PolarHBondContact OG-N 2.67Å; S358-D362 PolarHBondContact O-N 2.98Å | ||
| 359 | T | 95.1 | Very high | 92.7 | Very high | 19 Ų | 19 | 29.8 Ų | 29.8 | 12% | 0.117 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.1 | -28.6 | 172 | 70.6 | 0 | 0 | 0 | 0 | 111.7 | E300 D362 V363 | E300-T359 HydrophobicContact CB-CG2 4.34Å; E300-T359 HydrophobicContact CG-CG2 4.13Å; E300-T359 PolarHBondContact OE1-OG1 3.1Å; E300-T359 VanDerWaalsContact OE1-OG1 3.1Å; T359-D362 WeakPolarHBondContact O-CB 3.07Å; T359-D362 PolarHBondContact O-N 3.12Å; T359-V363 WeakPolarHBondContact O-CG2 3.31Å; T359-V363 PolarHBondContact O-N 3.39Å |
| 360 | K | 97.4 | Very high | 92.9 | Very high | 49 Ų | 49 | 29.5 Ų | 29.5 | 21% | 0.213 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -72.5 | -27.7 | 176.2 | -58.3 | -58.2 | -178.9 | 177.3 | 0 | 114.1 | S358 W364 P421 R424 P425 | S358-K360 PolarHBondContact O-N 2.89Å; S358-K360 VanDerWaalsContact O-N 3.09Å; S358-K360 PolarHBondContact OG-N 3.29Å; K360-W364 PolarHBondContact O-N 3.23Å; K360-P421 HydrophobicContact CB-CB 3.89Å; K360-P421 WeakPolarHBondContact CD-O 3.46Å; K360-P421 WeakPolarHBondContact CG-O 3.23Å; K360-R424 HydrophobicContact CD-CB 4.32Å; K360-R424 PolarHBondContact NZ-O 3.17Å; K360-R424 WeakPolarHBondContact O-CD 3.39Å; K360-R424 PolarHBondContact O-NH1 3.49Å; K360-P425 PolarHBondContact NZ-O 2.97Å |
| 361 | S | 96.6 | Very high | 93.2 | Very high | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -73.6 | -32.8 | 170 | 59.3 | 0 | 0 | 0 | 0 | 111 | S358 V363 W364 S365 | S358-S361 PolarHBondContact N-OG 2.96Å; S358-S361 PolarHBondContact O-N 3.32Å; S358-S361 PolarHBondContact O-OG 3Å; S358-S361 PolarHBondContact OG-N 2.67Å; S361-V363 VanDerWaalsContact C-N 3.34Å; S361-W364 WeakPolarHBondContact O-CB 3.37Å; S361-W364 PolarHBondContact O-N 3.46Å; S361-S365 PolarHBondContact O-N 2.98Å; S361-S365 VanDerWaalsContact O-N 3.16Å; S361-S365 PolarHBondContact O-OG 3.41Å |
| 362 | D | 97.6 | Very high | 93.7 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.011 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.8 | -34.2 | 172.2 | -72.8 | -19.3 | 0 | 0 | 0 | 112.2 | M296 V305 H306 R307 S358 T359 W364 S365 Y366 F427 | M296-D362 HydrophobicContact CE-CB 3.81Å; V305-D362 WeakPolarHBondContact CA-OD2 3.33Å; V305-D362 VanDerWaalsContact CG1-OD2 3.3Å; V305-D362 WeakPolarHBondContact CG1-OD2 3.44Å; H306-D362 PolarHBondContact N-OD2 3.17Å; R307-D362 PolarHBondContact N-OD1 3.25Å; S358-D362 PolarHBondContact O-N 2.98Å; T359-D362 WeakPolarHBondContact O-CB 3.07Å; T359-D362 PolarHBondContact O-N 3.12Å; D362-W364 VanDerWaalsContact C-N 3.26Å; D362-W364 PolarHBondContact O-N 2.84Å; D362-S365 WeakPolarHBondContact O-CB 3.44Å; D362-S365 PolarHBondContact O-N 3.45Å; D362-Y366 WeakPolarHBondContact O-CB 3.38Å; D362-Y366 PolarHBondContact O-N 3.1Å; D362-F427 HydrophobicContact CB-CE2 4.24Å; D362-F427 HydrophobicContact CB-CZ 4.24Å |
| 363 | V | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.6 | -38.4 | 172.1 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | T359 S361 Y366 G367 C416 R424 F427 L430 | T359-V363 WeakPolarHBondContact O-CG2 3.31Å; T359-V363 PolarHBondContact O-N 3.39Å; S361-V363 VanDerWaalsContact C-N 3.34Å; V363-Y366 WeakPolarHBondContact O-CB 3.46Å; V363-Y366 PolarHBondContact O-N 2.98Å; V363-G367 PolarHBondContact O-N 2.75Å; V363-G367 VanDerWaalsContact O-N 3.08Å; V363-C416 HydrophobicContact CG1-CB 4.12Å; V363-C416 VanDerWaalsContact O-CB 3.29Å; V363-C416 WeakPolarHBondContact O-CB 3.36Å; V363-R424 HydrophobicContact CG1-CB 3.9Å; V363-F427 HydrophobicContact CG2-CD2 4Å; V363-F427 HydrophobicContact CG2-CE1 4.41Å; V363-F427 HydrophobicContact CG2-CE2 3.61Å; V363-F427 HydrophobicContact CG2-CZ 3.84Å; V363-L430 HydrophobicContact CG1-CD1 3.97Å; V363-L430 HydrophobicContact CG2-CD1 4.37Å |
| 364 | W | 98.6 | Very high | 95 | Very high | 1 Ų | 1 | 21 Ų | 21 | 0% | 0.004 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.7 | -49.9 | 173.2 | 176.3 | -75.5 | 0 | 0 | 0 | 111.5 | W346 A348 P349 K360 S361 D362 Y366 G367 V368 V393 R398 W417 | W346-W364 VanDerWaalsContact O-CD1 3.31Å; A348-W364 HydrophobicContact CB-CB 3.7Å; A348-W364 HydrophobicContact CB-CD2 4.14Å; A348-W364 HydrophobicContact CB-CG 3.7Å; P349-W364 HydrophobicContact CG-CE3 4.37Å; P349-W364 HydrophobicContact CG-CH2 3.66Å; P349-W364 HydrophobicContact CG-CZ2 4.08Å; P349-W364 HydrophobicContact CG-CZ3 3.82Å; K360-W364 PolarHBondContact O-N 3.23Å; S361-W364 WeakPolarHBondContact O-CB 3.37Å; S361-W364 PolarHBondContact O-N 3.46Å; D362-W364 VanDerWaalsContact C-N 3.26Å; D362-W364 PolarHBondContact O-N 2.84Å; W364-Y366 PolarHBondContact O-N 3.39Å; W364-G367 WeakPolarHBondContact O-CA 3.45Å; W364-G367 PolarHBondContact O-N 3.22Å; W364-V368 PolarHBondContact O-N 2.89Å; W364-V368 VanDerWaalsContact O-N 3.15Å; W364-V393 HydrophobicContact CH2-CG1 3.62Å; W364-V393 HydrophobicContact CZ2-CG1 3.47Å; W364-V393 VanDerWaalsContact CZ2-CG1 3.47Å; W364-R398 VanDerWaalsContact CH2-CZ 3.48Å; W364-W417 AromaticContact CD2-CD1 3.83Å; W364-W417 AromaticContact CE2-CD1 3.94Å; W364-W417 HydrophobicContact CE3-CB 4.16Å; W364-W417 HydrophobicContact CH2-CB 4.19Å; W364-W417 HydrophobicContact CZ3-CB 3.9Å; W364-W417 WeakPolarHBondContact CZ3-O 3.27Å; W364-W417 PolarHBondContact O-NE1 3.35Å |
| 365 | S | 98.4 | Very high | 95.8 | Very high | 5 Ų | 5 | 15.3 Ų | 15.3 | 4% | 0.035 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -56.6 | -38.8 | 176.8 | -51.6 | 0 | 0 | 0 | 0 | 111.4 | L309 W346 S361 D362 G367 V368 L369 | L309-S365 WeakPolarHBondContact O-CB 3.39Å; W346-S365 WeakPolarHBondContact O-CA 3.34Å; W346-S365 PolarHBondContact O-OG 2.91Å; S361-S365 PolarHBondContact O-N 2.98Å; S361-S365 VanDerWaalsContact O-N 3.16Å; S361-S365 PolarHBondContact O-OG 3.41Å; D362-S365 WeakPolarHBondContact O-CB 3.44Å; D362-S365 PolarHBondContact O-N 3.45Å; S365-G367 PolarHBondContact O-N 2.86Å; S365-V368 WeakPolarHBondContact O-CB 3.44Å; S365-V368 PolarHBondContact O-N 3.16Å; S365-V368 VanDerWaalsContact O-N 3.15Å; S365-L369 WeakPolarHBondContact O-CB 3.5Å; S365-L369 PolarHBondContact O-N 3.21Å |
| 366 | Y | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61.8 | -40.8 | 174.4 | -178.9 | -111.5 | 0 | 0 | 0 | 112.3 | S289 V292 C293 L309 D362 V363 W364 V368 L369 L370 F427 L430 L434 | S289-Y366 PolarHBondContact O-OH 3.15Å; V292-Y366 HydrophobicContact CB-CE2 4.21Å; V292-Y366 HydrophobicContact CG1-CD2 3.95Å; V292-Y366 HydrophobicContact CG1-CE2 3.81Å; C293-Y366 HydrophobicContact CB-CE2 4.33Å; C293-Y366 WeakPolarHBondContact CB-OH 3.5Å; L309-Y366 HydrophobicContact CD2-CD2 4.15Å; L309-Y366 HydrophobicContact CD2-CG 4.46Å; D362-Y366 WeakPolarHBondContact O-CB 3.38Å; D362-Y366 PolarHBondContact O-N 3.1Å; V363-Y366 WeakPolarHBondContact O-CB 3.46Å; V363-Y366 PolarHBondContact O-N 2.98Å; W364-Y366 PolarHBondContact O-N 3.39Å; Y366-V368 VanDerWaalsContact C-N 3.31Å; Y366-V368 PolarHBondContact O-N 3.11Å; Y366-L369 HydrophobicContact CD2-CD2 4.26Å; Y366-L369 HydrophobicContact CE2-CD2 4.24Å; Y366-L369 WeakPolarHBondContact O-CB 3.47Å; Y366-L369 PolarHBondContact O-N 3.44Å; Y366-L370 HydrophobicContact CD1-CD1 4.15Å; Y366-L370 HydrophobicContact CD1-CG 4.32Å; Y366-L370 HydrophobicContact CE1-CD1 3.67Å; Y366-L370 HydrophobicContact CE1-CD2 4.2Å; Y366-L370 HydrophobicContact CE1-CG 3.91Å; Y366-L370 HydrophobicContact CE2-CD2 4.2Å; Y366-L370 HydrophobicContact CE2-CG 4.33Å; Y366-L370 WeakPolarHBondContact O-CG 3.49Å; Y366-L370 PolarHBondContact O-N 2.83Å; Y366-F427 HydrophobicContact CD1-CE1 4.06Å; Y366-F427 HydrophobicContact CD2-CE1 4.21Å; Y366-F427 AromaticContact CG-CE1 3.76Å; Y366-F427 HydrophobicContact CG-CE1 3.76Å; Y366-L430 HydrophobicContact CD1-CD1 3.94Å; Y366-L430 HydrophobicContact CE1-CD1 4.19Å; Y366-L434 HydrophobicContact CE1-CD1 4.36Å; Y366-L434 WeakPolarHBondContact OH-CD1 3.45Å |
| 367 | G | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -59.5 | -40.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | V363 W364 S365 L370 W371 W417 | V363-G367 PolarHBondContact O-N 2.75Å; V363-G367 VanDerWaalsContact O-N 3.08Å; W364-G367 WeakPolarHBondContact O-CA 3.45Å; W364-G367 PolarHBondContact O-N 3.22Å; S365-G367 PolarHBondContact O-N 2.86Å; G367-L370 PolarHBondContact O-N 3.49Å; G367-W371 PolarHBondContact O-N 3.01Å; G367-W371 VanDerWaalsContact O-N 3.11Å; G367-W417 VanDerWaalsContact C-CZ2 3.47Å; G367-W417 WeakPolarHBondContact O-CZ2 3.41Å |
| 368 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -66.7 | -41.4 | 174.9 | -177 | 0 | 0 | 0 | 0 | 111.1 | W346 W364 S365 Y366 W371 E372 P380 M399 W417 | W346-V368 VanDerWaalsContact CD1-CG1 3.45Å; W346-V368 HydrophobicContact CD2-CG1 4.45Å; W346-V368 HydrophobicContact CG-CB 4.45Å; W346-V368 HydrophobicContact CG-CG1 3.98Å; W364-V368 PolarHBondContact O-N 2.89Å; W364-V368 VanDerWaalsContact O-N 3.15Å; S365-V368 WeakPolarHBondContact O-CB 3.44Å; S365-V368 PolarHBondContact O-N 3.16Å; S365-V368 VanDerWaalsContact O-N 3.15Å; Y366-V368 VanDerWaalsContact C-N 3.31Å; Y366-V368 PolarHBondContact O-N 3.11Å; V368-W371 WeakPolarHBondContact O-CB 3.35Å; V368-W371 PolarHBondContact O-N 3.08Å; V368-W371 VanDerWaalsContact O-N 3.15Å; V368-E372 PolarHBondContact O-N 3.38Å; V368-P380 HydrophobicContact CG1-CB 3.81Å; V368-P380 HydrophobicContact CG1-CG 3.62Å; V368-M399 HydrophobicContact CG1-CE 4.28Å; V368-W417 HydrophobicContact CG2-CZ2 4.46Å |
| 369 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.9 | -43.3 | 174.5 | 176.7 | 159.5 | 0 | 0 | 0 | 111.9 | V292 L309 V314 S365 Y366 W371 E372 I373 | V292-L369 HydrophobicContact CG1-CD1 3.91Å; V292-L369 HydrophobicContact CG1-CD2 4.19Å; L309-L369 HydrophobicContact CD1-CD1 3.7Å; L309-L369 HydrophobicContact CD2-CD1 4.42Å; L309-L369 HydrophobicContact CG-CD1 3.78Å; V314-L369 HydrophobicContact CG2-CD1 3.84Å; S365-L369 WeakPolarHBondContact O-CB 3.5Å; S365-L369 PolarHBondContact O-N 3.21Å; Y366-L369 HydrophobicContact CD2-CD2 4.26Å; Y366-L369 HydrophobicContact CE2-CD2 4.24Å; Y366-L369 WeakPolarHBondContact O-CB 3.47Å; Y366-L369 PolarHBondContact O-N 3.44Å; L369-W371 VanDerWaalsContact C-N 3.27Å; L369-W371 PolarHBondContact O-N 3.42Å; L369-E372 WeakPolarHBondContact O-CB 3.48Å; L369-E372 PolarHBondContact O-N 2.8Å; L369-E372 VanDerWaalsContact O-N 3.1Å; L369-I373 HydrophobicContact CD2-CD1 3.44Å; L369-I373 VanDerWaalsContact CD2-CD1 3.44Å; L369-I373 HydrophobicContact CD2-CG1 4.06Å; L369-I373 WeakPolarHBondContact O-CG1 3.41Å; L369-I373 PolarHBondContact O-N 3.16Å |
| 370 | L | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 17.3 Ų | 17.3 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -57.3 | -44.5 | 173.2 | -73.1 | -178.2 | 0 | 0 | 0 | 110.6 | S289 Y366 G367 E372 I373 F374 I412 M413 | S289-L370 VanDerWaalsContact CB-CD2 3.45Å; S289-L370 VanDerWaalsContact OG-CD2 3.23Å; S289-L370 WeakPolarHBondContact OG-CD2 3.46Å; Y366-L370 HydrophobicContact CD1-CD1 4.15Å; Y366-L370 HydrophobicContact CD1-CG 4.32Å; Y366-L370 HydrophobicContact CE1-CD1 3.67Å; Y366-L370 HydrophobicContact CE1-CD2 4.2Å; Y366-L370 HydrophobicContact CE1-CG 3.91Å; Y366-L370 HydrophobicContact CE2-CD2 4.2Å; Y366-L370 HydrophobicContact CE2-CG 4.33Å; Y366-L370 WeakPolarHBondContact O-CG 3.49Å; Y366-L370 PolarHBondContact O-N 2.83Å; G367-L370 PolarHBondContact O-N 3.49Å; L370-E372 VanDerWaalsContact C-N 3.31Å; L370-E372 PolarHBondContact O-N 3.15Å; L370-I373 WeakPolarHBondContact O-CB 3.43Å; L370-I373 PolarHBondContact O-N 3.35Å; L370-I373 VanDerWaalsContact O-N 3.16Å; L370-F374 VanDerWaalsContact O-CD2 3.31Å; L370-F374 WeakPolarHBondContact O-CD2 3.36Å; L370-F374 PolarHBondContact O-N 2.97Å; L370-I412 HydrophobicContact CD1-CG2 3.78Å; L370-M413 HydrophobicContact CB-CE 3.96Å; L370-M413 HydrophobicContact CB-CG 3.76Å; L370-M413 HydrophobicContact CB-SD 4.42Å; L370-M413 HydrophobicContact CD1-CG 4.14Å |
| 371 | W | 98.7 | Very high | 97.9 | Very high | 17 Ų | 17 | 15 Ų | 15 | 6% | 0.064 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -59.2 | -43.1 | 175.3 | -170.3 | 97 | 0 | 0 | 0 | 111.6 | G367 V368 L369 I373 F374 A375 R378 P380 M399 E400 P402 M413 W417 | G367-W371 PolarHBondContact O-N 3.01Å; G367-W371 VanDerWaalsContact O-N 3.11Å; V368-W371 WeakPolarHBondContact O-CB 3.35Å; V368-W371 PolarHBondContact O-N 3.08Å; V368-W371 VanDerWaalsContact O-N 3.15Å; L369-W371 VanDerWaalsContact C-N 3.27Å; L369-W371 PolarHBondContact O-N 3.42Å; W371-I373 VanDerWaalsContact C-N 3.34Å; W371-I373 PolarHBondContact O-N 2.98Å; W371-F374 PolarHBondContact O-N 3.04Å; W371-A375 HydrophobicContact CD2-CB 4.2Å; W371-A375 HydrophobicContact CE3-CB 3.87Å; W371-A375 HydrophobicContact CH2-CB 3.92Å; W371-A375 HydrophobicContact CZ2-CB 4.24Å; W371-A375 HydrophobicContact CZ3-CB 3.72Å; W371-A375 WeakPolarHBondContact O-CB 3.3Å; W371-A375 PolarHBondContact O-N 2.99Å; W371-R378 HydrophobicContact CH2-CB 4.2Å; W371-R378 HydrophobicContact CZ3-CB 4.13Å; W371-P380 HydrophobicContact CE3-CB 4.48Å; W371-P380 HydrophobicContact CE3-CG 4.42Å; W371-M399 HydrophobicContact CB-CE 3.87Å; W371-M399 HydrophobicContact CD2-CE 3.94Å; W371-M399 HydrophobicContact CD2-SD 3.88Å; W371-M399 HydrophobicContact CE3-CE 4.46Å; W371-M399 HydrophobicContact CE3-SD 4.3Å; W371-M399 HydrophobicContact CG-CE 3.65Å; W371-M399 HydrophobicContact CG-SD 4.15Å; W371-M399 HydrophobicContact CZ2-SD 4.37Å; W371-E400 PolarHBondContact NE1-O 3.3Å; W371-P402 HydrophobicContact CD2-CG 4.32Å; W371-P402 HydrophobicContact CG-CG 4.06Å; W371-M413 HydrophobicContact CB-SD 4.08Å; W371-W417 HydrophobicContact CB-CH2 4.08Å; W371-W417 HydrophobicContact CB-CZ2 4.11Å; W371-W417 HydrophobicContact CG-CH2 4.34Å |
| 372 | E | 98.6 | Very high | 97.8 | Very high | 6 Ų | 6 | 18.4 Ų | 18.4 | 3% | 0.028 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.1 | -43.7 | 174.1 | -64.9 | 179.6 | 98.1 | 0 | 0 | 112.2 | A311 W346 V368 L369 L370 A375 Y376 G377 P380 | A311-E372 HydrophobicContact CB-CB 3.98Å; A311-E372 HydrophobicContact CB-CG 4.47Å; A311-E372 PolarHBondContact N-OE2 2.81Å; W346-E372 WeakPolarHBondContact CZ2-OE1 3.37Å; W346-E372 VanDerWaalsContact NE1-CD 3.32Å; W346-E372 PolarHBondContact NE1-OE2 3Å; V368-E372 PolarHBondContact O-N 3.38Å; L369-E372 WeakPolarHBondContact O-CB 3.48Å; L369-E372 PolarHBondContact O-N 2.8Å; L369-E372 VanDerWaalsContact O-N 3.1Å; L370-E372 VanDerWaalsContact C-N 3.31Å; L370-E372 PolarHBondContact O-N 3.15Å; E372-A375 CarbonylContact O-C 3.47Å; E372-A375 PolarHBondContact O-N 3.39Å; E372-Y376 PolarHBondContact O-N 3.24Å; E372-Y376 VanDerWaalsContact O-N 3.12Å; E372-G377 PolarHBondContact O-N 2.98Å; E372-P380 HydrophobicContact CG-CG 3.65Å |
| 373 | I | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.7 | -55.6 | 178.4 | -70.6 | 179.4 | 0 | 0 | 0 | 110.2 | L268 L272 L285 F288 L369 L370 W371 A375 Y376 | L268-I373 HydrophobicContact CD2-CD1 3.9Å; L268-I373 HydrophobicContact CD2-CG1 3.8Å; L272-I373 HydrophobicContact CD1-CG1 4.45Å; L285-I373 HydrophobicContact CB-CG2 3.77Å; L285-I373 HydrophobicContact CD2-CG2 3.74Å; L285-I373 HydrophobicContact CG-CG2 4.26Å; F288-I373 HydrophobicContact CB-CD1 4.28Å; L369-I373 HydrophobicContact CD2-CD1 3.44Å; L369-I373 VanDerWaalsContact CD2-CD1 3.44Å; L369-I373 HydrophobicContact CD2-CG1 4.06Å; L369-I373 WeakPolarHBondContact O-CG1 3.41Å; L369-I373 PolarHBondContact O-N 3.16Å; L370-I373 WeakPolarHBondContact O-CB 3.43Å; L370-I373 PolarHBondContact O-N 3.35Å; L370-I373 VanDerWaalsContact O-N 3.16Å; W371-I373 VanDerWaalsContact C-N 3.34Å; W371-I373 PolarHBondContact O-N 2.98Å; I373-A375 VanDerWaalsContact C-N 3.26Å; I373-A375 PolarHBondContact O-N 3.06Å; I373-Y376 PolarHBondContact O-N 3.37Å; I373-Y376 VanDerWaalsContact O-N 3.09Å |
| 374 | F | 98.2 | Very high | 97.5 | Very high | 5 Ų | 5 | 30.2 Ų | 30.2 | 2% | 0.022 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -73.3 | -18.6 | -177.1 | -75.5 | -85.1 | 0 | 0 | 0 | 113.3 | L285 L286 L370 W371 Y376 P402 C405 P406 A409 M413 | L285-F374 HydrophobicContact CB-CE1 4.1Å; L285-F374 HydrophobicContact CB-CZ 4.23Å; L285-F374 HydrophobicContact CD1-CD1 3.93Å; L285-F374 HydrophobicContact CD1-CE1 4.21Å; L286-F374 HydrophobicContact CD2-CZ 3.82Å; L286-F374 HydrophobicContact CG-CZ 4.06Å; L370-F374 VanDerWaalsContact O-CD2 3.31Å; L370-F374 WeakPolarHBondContact O-CD2 3.36Å; L370-F374 PolarHBondContact O-N 2.97Å; W371-F374 PolarHBondContact O-N 3.04Å; F374-Y376 VanDerWaalsContact C-N 3.34Å; F374-P402 HydrophobicContact CB-CB 4.28Å; F374-P402 HydrophobicContact CB-CG 4.02Å; F374-C405 HydrophobicContact CB-CB 4.4Å; F374-P406 HydrophobicContact CE1-CG 4.13Å; F374-A409 HydrophobicContact CD2-CB 4.36Å; F374-A409 HydrophobicContact CE1-CB 3.93Å; F374-A409 HydrophobicContact CE2-CB 3.77Å; F374-A409 HydrophobicContact CZ-CB 3.52Å; F374-M413 HydrophobicContact CB-CE 3.96Å; F374-M413 HydrophobicContact CD2-CE 3.51Å; F374-M413 HydrophobicContact CE2-CE 4.33Å; F374-M413 HydrophobicContact CG-CE 3.94Å |
| 375 | A | 97.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 10.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | W371 E372 I373 G377 R378 P402 | W371-A375 HydrophobicContact CD2-CB 4.2Å; W371-A375 HydrophobicContact CE3-CB 3.87Å; W371-A375 HydrophobicContact CH2-CB 3.92Å; W371-A375 HydrophobicContact CZ2-CB 4.24Å; W371-A375 HydrophobicContact CZ3-CB 3.72Å; W371-A375 WeakPolarHBondContact O-CB 3.3Å; W371-A375 PolarHBondContact O-N 2.99Å; E372-A375 CarbonylContact O-C 3.47Å; E372-A375 PolarHBondContact O-N 3.39Å; I373-A375 VanDerWaalsContact C-N 3.26Å; I373-A375 PolarHBondContact O-N 3.06Å; A375-G377 PolarHBondContact O-N 3.09Å; A375-R378 HydrophobicContact CB-CB 3.92Å; A375-R378 HydrophobicContact CB-CG 4.49Å; A375-R378 WeakPolarHBondContact O-CB 3.48Å; A375-R378 VanDerWaalsContact O-CG 3.23Å; A375-R378 WeakPolarHBondContact O-CG 3.41Å; A375-R378 PolarHBondContact O-N 3.23Å; A375-P402 HydrophobicContact CB-CB 4.05Å; A375-P402 HydrophobicContact CB-CG 4.15Å |
| 376 | Y | 97.6 | Very high | 97.1 | Very high | 27 Ų | 27 | 37.5 Ų | 37.5 | 11% | 0.106 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 46.2 | 178.7 | -67 | -99.3 | 0 | 0 | 0 | 113.5 | L272 R277 V280 L285 E372 I373 F374 R378 | L272-Y376 HydrophobicContact CD2-CD1 4.49Å; R277-Y376 VanDerWaalsContact CA-CE1 3.47Å; R277-Y376 HydrophobicContact CB-CE1 4.17Å; R277-Y376 HydrophobicContact CG-CD1 4.08Å; R277-Y376 HydrophobicContact CG-CD2 3.75Å; R277-Y376 HydrophobicContact CG-CE1 3.68Å; R277-Y376 HydrophobicContact CG-CE2 3.34Å; R277-Y376 HydrophobicContact CG-CG 4.1Å; V280-Y376 HydrophobicContact CB-CE1 4.2Å; V280-Y376 WeakPolarHBondContact O-CE1 3.24Å; V280-Y376 PolarHBondContact O-OH 2.75Å; L285-Y376 HydrophobicContact CD1-CE1 4.41Å; L285-Y376 HydrophobicContact CD1-CE2 3.96Å; L285-Y376 HydrophobicContact CD2-CE1 4.33Å; E372-Y376 PolarHBondContact O-N 3.24Å; E372-Y376 VanDerWaalsContact O-N 3.12Å; I373-Y376 PolarHBondContact O-N 3.37Å; I373-Y376 VanDerWaalsContact O-N 3.09Å; F374-Y376 VanDerWaalsContact C-N 3.34Å; Y376-R378 VanDerWaalsContact C-N 3.3Å; Y376-R378 PolarHBondContact O-N 3.24Å |
| 377 | G | 96.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 14.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | R273 E372 A375 | R273-G377 PolarHBondContact NE-O 2.78Å; R273-G377 PolarHBondContact NH2-O 3.14Å; E372-G377 PolarHBondContact O-N 2.98Å; A375-G377 PolarHBondContact O-N 3.09Å |
| 378 | R | 96.6 | Very high | 96.7 | Very high | 128 Ų | 128 | 48.2 Ų | 48.2 | 48% | 0.483 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -57.8 | 148.8 | 168.6 | -76.9 | 176.7 | -177.9 | 173.7 | 6.5 | 109.9 | W371 A375 Y376 E403 | W371-R378 HydrophobicContact CH2-CB 4.2Å; W371-R378 HydrophobicContact CZ3-CB 4.13Å; A375-R378 HydrophobicContact CB-CB 3.92Å; A375-R378 HydrophobicContact CB-CG 4.49Å; A375-R378 WeakPolarHBondContact O-CB 3.48Å; A375-R378 VanDerWaalsContact O-CG 3.23Å; A375-R378 WeakPolarHBondContact O-CG 3.41Å; A375-R378 PolarHBondContact O-N 3.23Å; Y376-R378 VanDerWaalsContact C-N 3.3Å; Y376-R378 PolarHBondContact O-N 3.24Å; R378-E403 IonicContact NH2-OE2 3.59Å |
| 379 | Q | 95.8 | Very high | 96.5 | Very high | 116 Ų | 116 | 48.4 Ų | 48.4 | 54% | 0.542 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -69.2 | 132.5 | 178.3 | -167.1 | -176.4 | 58.9 | 0 | 0 | 110.3 | K345 | K345-Q379 VanDerWaalsContact NZ-OE1 3.11Š|
| 380 | P | 97.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -57.1 | 150.8 | 175.1 | -27.9 | 36.7 | 0 | 0 | 0 | 112.7 | K345 W346 V368 W371 E372 M399 | K345-P380 HydrophobicContact CB-CB 4.45Å; K345-P380 WeakPolarHBondContact CD-O 3.27Å; K345-P380 WeakPolarHBondContact CE-O 3.4Å; K345-P380 PolarHBondContact NZ-O 2.94Å; W346-P380 HydrophobicContact CH2-CG 4.38Å; W346-P380 HydrophobicContact CZ2-CG 3.69Å; V368-P380 HydrophobicContact CG1-CB 3.81Å; V368-P380 HydrophobicContact CG1-CG 3.62Å; W371-P380 HydrophobicContact CE3-CB 4.48Å; W371-P380 HydrophobicContact CE3-CG 4.42Å; E372-P380 HydrophobicContact CG-CG 3.65Å; P380-M399 HydrophobicContact CB-CE 4.32Å; P380-M399 HydrophobicContact CB-SD 4.11Å |
| 381 | Y | 97.3 | Very high | 96 | Very high | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | S | Bend | trans | 50.5 | 64.5 | -178.8 | -51.4 | -91.4 | 0 | 0 | 0 | 111.6 | K345 K383 M384 V389 V393 Y397 M399 | K345-Y381 HydrophobicContact CB-CD2 4.03Å; K345-Y381 HydrophobicContact CB-CE2 4.3Å; K345-Y381 HydrophobicContact CD-CD2 4.46Å; K345-Y381 HydrophobicContact CG-CD2 4.16Å; K345-Y381 PolarHBondContact NZ-O 3.35Å; K345-Y381 WeakPolarHBondContact O-CE2 3.47Å; Y381-K383 PolarHBondContact O-N 3.17Å; Y381-M384 HydrophobicContact CD1-SD 4.38Å; Y381-M384 PolarHBondContact O-N 2.86Å; Y381-V389 VanDerWaalsContact CB-CG2 3.47Å; Y381-V389 HydrophobicContact CD1-CG1 4.09Å; Y381-V389 HydrophobicContact CD1-CG2 4.12Å; Y381-V389 HydrophobicContact CD2-CG1 3.98Å; Y381-V389 HydrophobicContact CD2-CG2 4.22Å; Y381-V389 HydrophobicContact CE1-CG1 4.22Å; Y381-V389 HydrophobicContact CE2-CG1 4.14Å; Y381-V389 HydrophobicContact CG-CB 4.49Å; Y381-V389 HydrophobicContact CG-CG1 3.98Å; Y381-V389 HydrophobicContact CG-CG2 3.68Å; Y381-V393 HydrophobicContact CE1-CG2 3.63Å; Y381-Y397 HydrophobicContact CD1-CD1 4.45Å; Y381-Y397 AromaticContact CD1-CE1 3.89Å; Y381-Y397 HydrophobicContact CD1-CE1 3.89Å; Y381-Y397 HydrophobicContact CE1-CD1 4.31Å; Y381-Y397 HydrophobicContact CE1-CE1 4.02Å; Y381-M399 HydrophobicContact CD1-CG 3.7Å; Y381-M399 HydrophobicContact CD1-SD 4.01Å; Y381-M399 HydrophobicContact CD2-CE 4.49Å; Y381-M399 HydrophobicContact CD2-SD 3.89Å; Y381-M399 HydrophobicContact CE1-CG 3.59Å; Y381-M399 HydrophobicContact CE1-SD 4.06Å; Y381-M399 HydrophobicContact CE2-CE 3.95Å; Y381-M399 HydrophobicContact CE2-CG 4.5Å; Y381-M399 HydrophobicContact CE2-SD 3.9Å; Y381-M399 HydrophobicContact CG-CG 4.23Å; Y381-M399 HydrophobicContact CG-SD 3.92Å; Y381-M399 PolarHBondContact N-SD 3.43Å |
| 382 | P | 94.6 | Very high | 95.8 | Very high | 74 Ų | 74 | 60.9 Ų | 60.9 | 48% | 0.481 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 140.6 | -177.2 | 25.9 | -34.5 | 0 | 0 | 0 | 110.3 | M384 | P382-M384 PolarHBondContact O-N 3.36Š|
| 383 | K | 94 | Very high | 95.6 | Very high | 217 Ų | 217 | 60.8 Ų | 60.8 | 94% | 0.943 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 17.1 | 179 | -49.3 | 176.3 | -178.6 | 177.9 | 0 | 115.3 | Y381 | Y381-K383 PolarHBondContact O-N 3.17Š|
| 384 | M | 95.8 | Very high | 95.3 | Very high | 32 Ų | 32 | 64.4 Ų | 64.4 | 16% | 0.158 | 30% | 0.303 | C | S | . | . | trans | -113.2 | 134.1 | 173.3 | -58.6 | -174.8 | -174.7 | 0 | 0 | 111.1 | Y381 P382 E388 V389 K392 Y397 | Y381-M384 HydrophobicContact CD1-SD 4.38Å; Y381-M384 PolarHBondContact O-N 2.86Å; P382-M384 PolarHBondContact O-N 3.36Å; M384-E388 HydrophobicContact CB-CB 4.38Å; M384-V389 HydrophobicContact CB-CG2 3.72Å; M384-K392 HydrophobicContact CE-CD 4.08Å; M384-K392 HydrophobicContact SD-CD 3.96Å; M384-Y397 HydrophobicContact CE-CE1 3.98Å; M384-Y397 HydrophobicContact CE-CE2 4.35Å; M384-Y397 HydrophobicContact SD-CE1 4.31Å | ||
| 385 | S | 95.3 | Very high | 95.1 | Very high | 58 Ų | 58 | 68.4 Ų | 68.4 | 41% | 0.406 | 34% | 0.336 | S | S | . | . | trans | -69.1 | 161.2 | 168.7 | 68.5 | 0 | 0 | 0 | 0 | 111.4 | K387 E388 V389 | S385-K387 PolarHBondContact O-N 3.2Å; S385-E388 VanDerWaalsContact CB-OE2 3.27Å; S385-E388 WeakPolarHBondContact CB-OE2 3.41Å; S385-E388 PolarHBondContact N-OE2 3.11Å; S385-E388 PolarHBondContact O-N 3.36Å; S385-E388 VanDerWaalsContact OG-CG 3.28Å; S385-E388 WeakPolarHBondContact OG-CG 3.07Å; S385-E388 PolarHBondContact OG-N 3.15Å; S385-E388 PolarHBondContact OG-OE2 2.92Å; S385-V389 WeakPolarHBondContact O-CG2 3.21Å; S385-V389 PolarHBondContact O-N 3.31Å | ||
| 386 | L | 92.6 | Very high | 95 | Very high | 101 Ų | 101 | 70.3 Ų | 70.3 | 53% | 0.529 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.7 | -34.6 | 179.3 | -58.7 | -177.6 | 0 | 0 | 0 | 112.6 | V344 K345 K390 | V344-L386 HydrophobicContact CB-CD2 4.31Å; V344-L386 HydrophobicContact CG1-CB 4.46Å; K345-L386 HydrophobicContact CD-CD2 4.36Å; K345-L386 HydrophobicContact CG-CD2 3.95Å; L386-K390 PolarHBondContact O-N 3.43Å |
| 387 | K | 92.9 | Very high | 94.9 | Very high | 149 Ų | 149 | 72.6 Ų | 72.6 | 65% | 0.648 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -65.4 | -49.6 | 176.5 | -177.3 | 179.9 | 172 | -175.5 | 0 | 111 | S385 V389 K390 E391 | S385-K387 PolarHBondContact O-N 3.2Å; K387-V389 VanDerWaalsContact C-N 3.32Å; K387-V389 PolarHBondContact O-N 2.7Å; K387-K390 PolarHBondContact O-N 2.85Å; K387-E391 WeakPolarHBondContact CE-OE1 3.5Å; K387-E391 IonicContact NZ-OE1 3.84Å; K387-E391 WeakPolarHBondContact O-CG 3.2Å; K387-E391 PolarHBondContact O-N 3.1Å |
| 388 | E | 95.9 | Very high | 95 | Very high | 77 Ų | 77 | 74.9 Ų | 74.9 | 36% | 0.36 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.7 | -39 | 178.5 | -70.4 | 166.8 | 117.4 | 0 | 0 | 112.2 | M384 S385 K390 E391 K392 | M384-E388 HydrophobicContact CB-CB 4.38Å; S385-E388 VanDerWaalsContact CB-OE2 3.27Å; S385-E388 WeakPolarHBondContact CB-OE2 3.41Å; S385-E388 PolarHBondContact N-OE2 3.11Å; S385-E388 PolarHBondContact O-N 3.36Å; S385-E388 VanDerWaalsContact OG-CG 3.28Å; S385-E388 WeakPolarHBondContact OG-CG 3.07Å; S385-E388 PolarHBondContact OG-N 3.15Å; S385-E388 PolarHBondContact OG-OE2 2.92Å; E388-K390 VanDerWaalsContact C-N 3.35Å; E388-K390 PolarHBondContact O-N 3.41Å; E388-E391 PolarHBondContact O-N 3.18Å; E388-K392 VanDerWaalsContact O-CB 3.3Å; E388-K392 WeakPolarHBondContact O-CB 3.46Å; E388-K392 WeakPolarHBondContact O-CG 3.43Å; E388-K392 PolarHBondContact O-N 3.06Å |
| 389 | V | 94.8 | Very high | 95 | Very high | 3 Ų | 3 | 68.9 Ų | 68.9 | 2% | 0.018 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.4 | -49.5 | 175.7 | 171.3 | 0 | 0 | 0 | 0 | 110.1 | K345 Y381 M384 S385 K387 E391 V393 | K345-V389 HydrophobicContact CG-CG2 4.45Å; Y381-V389 VanDerWaalsContact CB-CG2 3.47Å; Y381-V389 HydrophobicContact CD1-CG1 4.09Å; Y381-V389 HydrophobicContact CD1-CG2 4.12Å; Y381-V389 HydrophobicContact CD2-CG1 3.98Å; Y381-V389 HydrophobicContact CD2-CG2 4.22Å; Y381-V389 HydrophobicContact CE1-CG1 4.22Å; Y381-V389 HydrophobicContact CE2-CG1 4.14Å; Y381-V389 HydrophobicContact CG-CB 4.49Å; Y381-V389 HydrophobicContact CG-CG1 3.98Å; Y381-V389 HydrophobicContact CG-CG2 3.68Å; M384-V389 HydrophobicContact CB-CG2 3.72Å; S385-V389 WeakPolarHBondContact O-CG2 3.21Å; S385-V389 PolarHBondContact O-N 3.31Å; K387-V389 VanDerWaalsContact C-N 3.32Å; K387-V389 PolarHBondContact O-N 2.7Å; V389-E391 PolarHBondContact O-N 3.47Å; V389-V393 HydrophobicContact CG1-CG2 4.19Å; V389-V393 WeakPolarHBondContact O-CB 3.49Å; V389-V393 WeakPolarHBondContact O-CG2 3.33Å; V389-V393 PolarHBondContact O-N 3.29Å |
| 390 | K | 92.2 | Very high | 95.1 | Very high | 88 Ų | 88 | 70.7 Ų | 70.7 | 38% | 0.383 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57.6 | -51.7 | 178.7 | -175.8 | -179.2 | 178.6 | -179.3 | 0 | 111.3 | L352 L386 K387 E388 E394 | L352-K390 HydrophobicContact CD1-CG 4.45Å; L386-K390 PolarHBondContact O-N 3.43Å; K387-K390 PolarHBondContact O-N 2.85Å; E388-K390 VanDerWaalsContact C-N 3.35Å; E388-K390 PolarHBondContact O-N 3.41Å; K390-E394 VanDerWaalsContact CE-OE1 3.31Å; K390-E394 WeakPolarHBondContact CE-OE1 3.17Å; K390-E394 WeakPolarHBondContact O-CB 3.48Å; K390-E394 VanDerWaalsContact O-CG 3.27Å; K390-E394 WeakPolarHBondContact O-CG 3.36Å; K390-E394 PolarHBondContact O-N 3.29Å; K390-E394 VanDerWaalsContact O-N 3.09Å |
| 391 | E | 94 | Very high | 95.1 | Very high | 103 Ų | 103 | 73 Ų | 73 | 48% | 0.481 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.1 | -46.7 | -177.3 | -70.3 | 170.3 | 175.7 | 0 | 0 | 112.3 | K387 E388 V389 E394 A395 | K387-E391 WeakPolarHBondContact CE-OE1 3.5Å; K387-E391 IonicContact NZ-OE1 3.84Å; K387-E391 WeakPolarHBondContact O-CG 3.2Å; K387-E391 PolarHBondContact O-N 3.1Å; E388-E391 PolarHBondContact O-N 3.18Å; V389-E391 PolarHBondContact O-N 3.47Å; E391-E394 PolarHBondContact O-N 3.12Å; E391-A395 WeakPolarHBondContact O-CB 3.5Å; E391-A395 PolarHBondContact O-N 3.18Å |
| 392 | K | 95.7 | Very high | 95.1 | Very high | 90 Ų | 90 | 73.4 Ų | 73.4 | 39% | 0.391 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.8 | -43.7 | -178.3 | -73.5 | -175.8 | 175.1 | 179.3 | 0 | 112.4 | M384 E388 E394 A395 G396 Y397 | M384-K392 HydrophobicContact CE-CD 4.08Å; M384-K392 HydrophobicContact SD-CD 3.96Å; E388-K392 VanDerWaalsContact O-CB 3.3Å; E388-K392 WeakPolarHBondContact O-CB 3.46Å; E388-K392 WeakPolarHBondContact O-CG 3.43Å; E388-K392 PolarHBondContact O-N 3.06Å; K392-E394 VanDerWaalsContact C-N 3.31Å; K392-E394 PolarHBondContact O-N 3.29Å; K392-A395 CarbonylContact O-C 3.54Å; K392-A395 WeakPolarHBondContact O-CA 3.39Å; K392-A395 WeakPolarHBondContact O-CB 3.43Å; K392-A395 PolarHBondContact O-N 2.99Å; K392-A395 VanDerWaalsContact O-N 3.11Å; K392-G396 PolarHBondContact O-N 3.27Å; K392-Y397 HydrophobicContact CB-CD1 4.28Å; K392-Y397 HydrophobicContact CB-CG 4.2Å; K392-Y397 WeakPolarHBondContact O-CB 3.35Å; K392-Y397 PolarHBondContact O-N 3Å |
| 393 | V | 95.1 | Very high | 95 | Very high | 4 Ų | 4 | 75.2 Ų | 75.2 | 2% | 0.024 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 179 | 165.2 | 0 | 0 | 0 | 0 | 110.8 | P349 W364 Y381 V389 A395 G396 R398 | P349-V393 HydrophobicContact CG-CG1 3.77Å; W364-V393 HydrophobicContact CH2-CG1 3.62Å; W364-V393 HydrophobicContact CZ2-CG1 3.47Å; W364-V393 VanDerWaalsContact CZ2-CG1 3.47Å; Y381-V393 HydrophobicContact CE1-CG2 3.63Å; V389-V393 HydrophobicContact CG1-CG2 4.19Å; V389-V393 WeakPolarHBondContact O-CB 3.49Å; V389-V393 WeakPolarHBondContact O-CG2 3.33Å; V389-V393 PolarHBondContact O-N 3.29Å; V393-A395 VanDerWaalsContact C-N 3.29Å; V393-A395 PolarHBondContact O-N 2.9Å; V393-G396 PolarHBondContact O-N 2.83Å; V393-G396 VanDerWaalsContact O-N 3.1Å; V393-R398 PolarHBondContact O-NH1 3.14Å; V393-R398 VanDerWaalsContact O-NH1 3.11Å |
| 394 | E | 91.3 | Very high | 94.8 | Very high | 77 Ų | 77 | 71.2 Ų | 71.2 | 36% | 0.36 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.4 | -35.3 | 173.1 | -76 | -179.3 | -172.4 | 0 | 0 | 112.3 | K390 E391 K392 G396 | K390-E394 VanDerWaalsContact CE-OE1 3.31Å; K390-E394 WeakPolarHBondContact CE-OE1 3.17Å; K390-E394 WeakPolarHBondContact O-CB 3.48Å; K390-E394 VanDerWaalsContact O-CG 3.27Å; K390-E394 WeakPolarHBondContact O-CG 3.36Å; K390-E394 PolarHBondContact O-N 3.29Å; K390-E394 VanDerWaalsContact O-N 3.09Å; E391-E394 PolarHBondContact O-N 3.12Å; K392-E394 VanDerWaalsContact C-N 3.31Å; K392-E394 PolarHBondContact O-N 3.29Å; E394-G396 PolarHBondContact O-N 3.04Å |
| 395 | A | 94.3 | Very high | 94.7 | Very high | 88 Ų | 88 | 70.6 Ų | 70.6 | 73% | 0.727 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | 2.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | E391 K392 V393 | E391-A395 WeakPolarHBondContact O-CB 3.5Å; E391-A395 PolarHBondContact O-N 3.18Å; K392-A395 CarbonylContact O-C 3.54Å; K392-A395 WeakPolarHBondContact O-CA 3.39Å; K392-A395 WeakPolarHBondContact O-CB 3.43Å; K392-A395 PolarHBondContact O-N 2.99Å; K392-A395 VanDerWaalsContact O-N 3.11Å; V393-A395 VanDerWaalsContact C-N 3.29Å; V393-A395 PolarHBondContact O-N 2.9Å |
| 396 | G | 94.5 | Very high | 94.7 | Very high | 42 Ų | 42 | 69.3 Ų | 69.3 | 43% | 0.433 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.3 | 1.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | K392 V393 E394 R398 | K392-G396 PolarHBondContact O-N 3.27Å; V393-G396 PolarHBondContact O-N 2.83Å; V393-G396 VanDerWaalsContact O-N 3.1Å; E394-G396 PolarHBondContact O-N 3.04Å; G396-R398 PolarHBondContact O-NH1 2.89Å |
| 397 | Y | 96.9 | Very high | 94.8 | Very high | 75 Ų | 75 | 70 Ų | 70 | 29% | 0.294 | 37% | 0.372 | S | S | . | . | trans | -61 | 141 | 174.3 | 172 | -97.2 | 0 | 0 | 0 | 111.6 | Y381 M384 K392 M399 | Y381-Y397 HydrophobicContact CD1-CD1 4.45Å; Y381-Y397 AromaticContact CD1-CE1 3.89Å; Y381-Y397 HydrophobicContact CD1-CE1 3.89Å; Y381-Y397 HydrophobicContact CE1-CD1 4.31Å; Y381-Y397 HydrophobicContact CE1-CE1 4.02Å; M384-Y397 HydrophobicContact CE-CE1 3.98Å; M384-Y397 HydrophobicContact CE-CE2 4.35Å; M384-Y397 HydrophobicContact SD-CE1 4.31Å; K392-Y397 HydrophobicContact CB-CD1 4.28Å; K392-Y397 HydrophobicContact CB-CG 4.2Å; K392-Y397 WeakPolarHBondContact O-CB 3.35Å; K392-Y397 PolarHBondContact O-N 3Å; Y397-M399 HydrophobicContact CE1-CG 4.31Å | ||
| 398 | R | 97.5 | Very high | 95 | Very high | 47 Ų | 47 | 63.7 Ų | 63.7 | 18% | 0.177 | 35% | 0.35 | C | S | . | . | trans | -132.1 | 146.5 | 171.5 | -59.9 | -60.1 | 180 | -96.7 | 1.1 | 109.5 | W364 V393 G396 W417 | W364-R398 VanDerWaalsContact CH2-CZ 3.48Å; V393-R398 PolarHBondContact O-NH1 3.14Å; V393-R398 VanDerWaalsContact O-NH1 3.11Å; G396-R398 PolarHBondContact O-NH1 2.89Å; R398-W417 HydrophobicContact CB-CE3 4.21Å; R398-W417 VanDerWaalsContact CD-CB 3.49Å; R398-W417 HydrophobicContact CG-CB 4.45Å; R398-W417 VanDerWaalsContact CZ-O 3.26Å; R398-W417 PolarHBondContact NE-O 3.13Å; R398-W417 PolarHBondContact NH2-O 3.06Å | ||
| 399 | M | 97.9 | Very high | 95.1 | Very high | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 142.6 | 179.4 | -67.5 | -175.1 | -70.7 | 0 | 0 | 111 | V368 W371 P380 Y381 Y397 Y410 W417 | V368-M399 HydrophobicContact CG1-CE 4.28Å; W371-M399 HydrophobicContact CB-CE 3.87Å; W371-M399 HydrophobicContact CD2-CE 3.94Å; W371-M399 HydrophobicContact CD2-SD 3.88Å; W371-M399 HydrophobicContact CE3-CE 4.46Å; W371-M399 HydrophobicContact CE3-SD 4.3Å; W371-M399 HydrophobicContact CG-CE 3.65Å; W371-M399 HydrophobicContact CG-SD 4.15Å; W371-M399 HydrophobicContact CZ2-SD 4.37Å; P380-M399 HydrophobicContact CB-CE 4.32Å; P380-M399 HydrophobicContact CB-SD 4.11Å; Y381-M399 HydrophobicContact CD1-CG 3.7Å; Y381-M399 HydrophobicContact CD1-SD 4.01Å; Y381-M399 HydrophobicContact CD2-CE 4.49Å; Y381-M399 HydrophobicContact CD2-SD 3.89Å; Y381-M399 HydrophobicContact CE1-CG 3.59Å; Y381-M399 HydrophobicContact CE1-SD 4.06Å; Y381-M399 HydrophobicContact CE2-CE 3.95Å; Y381-M399 HydrophobicContact CE2-CG 4.5Å; Y381-M399 HydrophobicContact CE2-SD 3.9Å; Y381-M399 HydrophobicContact CG-CG 4.23Å; Y381-M399 HydrophobicContact CG-SD 3.92Å; Y381-M399 PolarHBondContact N-SD 3.43Å; Y397-M399 HydrophobicContact CE1-CG 4.31Å; M399-Y410 WeakPolarHBondContact O-CE2 3.29Å; M399-Y410 PolarHBondContact O-OH 3.16Å; M399-W417 HydrophobicContact CB-CH2 4.18Å; M399-W417 HydrophobicContact CB-CZ3 4.39Å; M399-W417 HydrophobicContact CE-CH2 3.81Å; M399-W417 HydrophobicContact CE-CZ2 3.6Å |
| 400 | E | 97.4 | Very high | 95.3 | Very high | 154 Ų | 154 | 62.2 Ų | 62.2 | 72% | 0.72 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 158.3 | 170.6 | -64.3 | 178.7 | 175.2 | 0 | 0 | 111.1 | W371 | W371-E400 PolarHBondContact NE1-O 3.3Š|
| 401 | A | 97.6 | Very high | 95.6 | Very high | 49 Ų | 49 | 60.1 Ų | 60.1 | 41% | 0.405 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 133.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y410 | A401-Y410 HydrophobicContact CB-CD1 3.86Å; A401-Y410 HydrophobicContact CB-CD2 3.73Å; A401-Y410 HydrophobicContact CB-CE1 4.08Å; A401-Y410 HydrophobicContact CB-CE2 3.96Å; A401-Y410 HydrophobicContact CB-CG 3.67Å |
| 402 | P | 96.3 | Very high | 95.8 | Very high | 12 Ų | 12 | 55.5 Ų | 55.5 | 8% | 0.078 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 152.2 | 168.8 | -22.6 | 32.4 | 0 | 0 | 0 | 111.4 | W371 F374 A375 D404 C405 | W371-P402 HydrophobicContact CD2-CG 4.32Å; W371-P402 HydrophobicContact CG-CG 4.06Å; F374-P402 HydrophobicContact CB-CB 4.28Å; F374-P402 HydrophobicContact CB-CG 4.02Å; A375-P402 HydrophobicContact CB-CB 4.05Å; A375-P402 HydrophobicContact CB-CG 4.15Å; P402-D404 PolarHBondContact O-N 3.32Å; P402-C405 HydrophobicContact CB-CB 4.08Å; P402-C405 HydrophobicContact CG-CB 4.31Å; P402-C405 WeakPolarHBondContact O-CB 3.47Å; P402-C405 PolarHBondContact O-N 3.11Å |
| 403 | E | 92.3 | Very high | 95.9 | Very high | 111 Ų | 111 | 51.2 Ų | 51.2 | 52% | 0.519 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 132.1 | 171.4 | -171.2 | 176.6 | -165.5 | 0 | 0 | 110.7 | R378 C405 | R378-E403 IonicContact NH2-OE2 3.59Å; E403-C405 PolarHBondContact O-N 3.48Å |
| 404 | D | 89.9 | Confident | 96.1 | Very high | 134 Ų | 134 | 56.1 Ų | 56.1 | 72% | 0.717 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 16.7 | -176 | -49.9 | -44.1 | 0 | 0 | 0 | 115.6 | P402 P406 | P402-D404 PolarHBondContact O-N 3.32Å; D404-P406 WeakPolarHBondContact O-CD 3.24Å |
| 405 | C | 94.8 | Very high | 96.4 | Very high | 18 Ų | 18 | 55.1 Ų | 55.1 | 12% | 0.122 | 32% | 0.319 | C | S | . | . | trans | -70.1 | 126 | 175.9 | -174.6 | 0 | 0 | 0 | 0 | 111 | F374 P402 E403 | F374-C405 HydrophobicContact CB-CB 4.4Å; P402-C405 HydrophobicContact CB-CB 4.08Å; P402-C405 HydrophobicContact CG-CB 4.31Å; P402-C405 WeakPolarHBondContact O-CB 3.47Å; P402-C405 PolarHBondContact O-N 3.11Å; E403-C405 PolarHBondContact O-N 3.48Å | ||
| 406 | P | 94.4 | Very high | 96.6 | Very high | 32 Ų | 32 | 51 Ų | 51 | 21% | 0.208 | 28% | 0.284 | C | S | . | . | trans | -57.1 | 135.6 | 174.5 | -25.7 | 35.2 | 0 | 0 | 0 | 111.7 | F374 D404 G408 A409 Y410 | F374-P406 HydrophobicContact CE1-CG 4.13Å; D404-P406 WeakPolarHBondContact O-CD 3.24Å; P406-G408 PolarHBondContact O-N 3.22Å; P406-G408 VanDerWaalsContact O-N 3.14Å; P406-A409 HydrophobicContact CB-CB 4.29Å; P406-A409 WeakPolarHBondContact O-CB 3.5Å; P406-A409 PolarHBondContact O-N 3.12Å; P406-Y410 PolarHBondContact O-N 3.4Å; P406-Y410 VanDerWaalsContact O-N 3.11Å | ||
| 407 | P | 95.9 | Very high | 96.8 | Very high | 115 Ų | 115 | 49.1 Ų | 49.1 | 75% | 0.747 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -55.7 | -35.8 | -178 | -28.9 | 35.3 | 0 | 0 | 0 | 114 | Y410 A411 | P407-Y410 PolarHBondContact O-N 3.02Å; P407-A411 WeakPolarHBondContact O-CB 3.21Å; P407-A411 PolarHBondContact O-N 3.17Å |
| 408 | G | 96.8 | Very high | 96.9 | Very high | 17 Ų | 17 | 49.1 Ų | 49.1 | 18% | 0.175 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.2 | -40 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | P406 A411 I412 E437 | P406-G408 PolarHBondContact O-N 3.22Å; P406-G408 VanDerWaalsContact O-N 3.14Å; G408-A411 WeakPolarHBondContact O-CB 3.35Å; G408-A411 PolarHBondContact O-N 3.2Å; G408-I412 WeakPolarHBondContact O-CG1 3.49Å; G408-I412 PolarHBondContact O-N 2.68Å; G408-I412 VanDerWaalsContact O-N 3.11Å; G408-E437 WeakPolarHBondContact CA-OE2 3.37Å |
| 409 | A | 97.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 2% | 0.017 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F374 P406 A411 I412 M413 | F374-A409 HydrophobicContact CD2-CB 4.36Å; F374-A409 HydrophobicContact CE1-CB 3.93Å; F374-A409 HydrophobicContact CE2-CB 3.77Å; F374-A409 HydrophobicContact CZ-CB 3.52Å; P406-A409 HydrophobicContact CB-CB 4.29Å; P406-A409 WeakPolarHBondContact O-CB 3.5Å; P406-A409 PolarHBondContact O-N 3.12Å; A409-A411 VanDerWaalsContact C-N 3.35Å; A409-A411 PolarHBondContact O-N 3.06Å; A409-I412 WeakPolarHBondContact O-CB 3.43Å; A409-I412 PolarHBondContact O-N 3.44Å; A409-M413 WeakPolarHBondContact O-CG 3.25Å; A409-M413 PolarHBondContact O-N 3.14Å; A409-M413 VanDerWaalsContact O-N 3.12Å |
| 410 | Y | 98.5 | Very high | 96.7 | Very high | 46 Ų | 46 | 55.4 Ų | 55.4 | 18% | 0.18 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.7 | -35.3 | 176.1 | -174.9 | -118.7 | 0 | 0 | 0 | 112.8 | M399 A401 P406 P407 I412 M413 K414 W417 | M399-Y410 WeakPolarHBondContact O-CE2 3.29Å; M399-Y410 PolarHBondContact O-OH 3.16Å; A401-Y410 HydrophobicContact CB-CD1 3.86Å; A401-Y410 HydrophobicContact CB-CD2 3.73Å; A401-Y410 HydrophobicContact CB-CE1 4.08Å; A401-Y410 HydrophobicContact CB-CE2 3.96Å; A401-Y410 HydrophobicContact CB-CG 3.67Å; P406-Y410 PolarHBondContact O-N 3.4Å; P406-Y410 VanDerWaalsContact O-N 3.11Å; P407-Y410 PolarHBondContact O-N 3.02Å; Y410-I412 VanDerWaalsContact C-N 3.27Å; Y410-I412 PolarHBondContact O-N 3.1Å; Y410-M413 HydrophobicContact CD2-CB 4.37Å; Y410-M413 HydrophobicContact CD2-SD 3.87Å; Y410-M413 WeakPolarHBondContact O-CB 3.35Å; Y410-M413 PolarHBondContact O-N 3.49Å; Y410-K414 HydrophobicContact CD1-CD 4.28Å; Y410-K414 HydrophobicContact CD1-CG 4.49Å; Y410-K414 HydrophobicContact CE1-CD 3.75Å; Y410-K414 HydrophobicContact CE1-CG 4.09Å; Y410-K414 HydrophobicContact CE2-CG 4.49Å; Y410-K414 PolarHBondContact O-N 3.15Å; Y410-W417 HydrophobicContact CE2-CZ3 4.19Å |
| 411 | A | 98.4 | Very high | 96.6 | Very high | 45 Ų | 45 | 50 Ų | 50 | 37% | 0.372 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60 | -39.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P407 G408 A409 K414 L415 | P407-A411 WeakPolarHBondContact O-CB 3.21Å; P407-A411 PolarHBondContact O-N 3.17Å; G408-A411 WeakPolarHBondContact O-CB 3.35Å; G408-A411 PolarHBondContact O-N 3.2Å; A409-A411 VanDerWaalsContact C-N 3.35Å; A409-A411 PolarHBondContact O-N 3.06Å; A411-K414 PolarHBondContact O-N 3.16Å; A411-L415 WeakPolarHBondContact O-CG 3.45Å; A411-L415 PolarHBondContact O-N 3.22Å; A411-L415 VanDerWaalsContact O-N 3.14Å |
| 412 | I | 98.6 | Very high | 96.6 | Very high | 5 Ų | 5 | 58.9 Ų | 58.9 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63 | -44.2 | 173.7 | -64.6 | 165.8 | 0 | 0 | 0 | 110.9 | L370 G408 A409 Y410 K414 L415 C416 L430 K433 L434 E437 | L370-I412 HydrophobicContact CD1-CG2 3.78Å; G408-I412 WeakPolarHBondContact O-CG1 3.49Å; G408-I412 PolarHBondContact O-N 2.68Å; G408-I412 VanDerWaalsContact O-N 3.11Å; A409-I412 WeakPolarHBondContact O-CB 3.43Å; A409-I412 PolarHBondContact O-N 3.44Å; Y410-I412 VanDerWaalsContact C-N 3.27Å; Y410-I412 PolarHBondContact O-N 3.1Å; I412-K414 VanDerWaalsContact C-N 3.31Å; I412-K414 PolarHBondContact O-N 2.81Å; I412-L415 WeakPolarHBondContact O-CB 3.28Å; I412-L415 PolarHBondContact O-N 3.11Å; I412-L415 VanDerWaalsContact O-N 3.16Å; I412-C416 PolarHBondContact O-N 3.37Å; I412-C416 VanDerWaalsContact O-N 3.09Å; I412-C416 PolarHBondContact O-SG 2.92Å; I412-C416 VanDerWaalsContact O-SG 3.39Å; I412-L430 HydrophobicContact CG2-CD2 3.64Å; I412-K433 HydrophobicContact CD1-CB 3.85Å; I412-K433 HydrophobicContact CG1-CB 4.07Å; I412-K433 HydrophobicContact CG1-CD 4.41Å; I412-L434 HydrophobicContact CD1-CD2 3.82Å; I412-L434 HydrophobicContact CD1-CG 4.04Å; I412-E437 HydrophobicContact CD1-CG 4.17Å |
| 413 | M | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57 | -43.8 | 175.7 | -61.3 | 174.9 | -161.3 | 0 | 0 | 111.9 | L370 W371 F374 A409 Y410 L415 C416 W417 | L370-M413 HydrophobicContact CB-CE 3.96Å; L370-M413 HydrophobicContact CB-CG 3.76Å; L370-M413 HydrophobicContact CB-SD 4.42Å; L370-M413 HydrophobicContact CD1-CG 4.14Å; W371-M413 HydrophobicContact CB-SD 4.08Å; F374-M413 HydrophobicContact CB-CE 3.96Å; F374-M413 HydrophobicContact CD2-CE 3.51Å; F374-M413 HydrophobicContact CE2-CE 4.33Å; F374-M413 HydrophobicContact CG-CE 3.94Å; A409-M413 WeakPolarHBondContact O-CG 3.25Å; A409-M413 PolarHBondContact O-N 3.14Å; A409-M413 VanDerWaalsContact O-N 3.12Å; Y410-M413 HydrophobicContact CD2-CB 4.37Å; Y410-M413 HydrophobicContact CD2-SD 3.87Å; Y410-M413 WeakPolarHBondContact O-CB 3.35Å; Y410-M413 PolarHBondContact O-N 3.49Å; M413-L415 PolarHBondContact O-N 3.39Å; M413-C416 WeakPolarHBondContact O-CB 3.43Å; M413-C416 PolarHBondContact O-N 3.09Å; M413-C416 VanDerWaalsContact O-N 3.14Å; M413-W417 HydrophobicContact CB-CE3 4.21Å; M413-W417 HydrophobicContact CB-CH2 3.81Å; M413-W417 HydrophobicContact CB-CZ2 4.19Å; M413-W417 HydrophobicContact CB-CZ3 3.82Å; M413-W417 HydrophobicContact CG-CH2 4.41Å; M413-W417 VanDerWaalsContact O-CD2 3.29Å; M413-W417 PolarHBondContact O-N 3.43Å; M413-W417 VanDerWaalsContact O-N 3.1Å; M413-W417 HydrophobicContact SD-CH2 4.19Å |
| 414 | K | 98.6 | Very high | 96.9 | Very high | 107 Ų | 107 | 58.8 Ų | 58.8 | 47% | 0.465 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 177.5 | -70.2 | -169.5 | -64.6 | -180 | 0 | 112.8 | Y410 A411 I412 C416 W417 E418 | Y410-K414 HydrophobicContact CD1-CD 4.28Å; Y410-K414 HydrophobicContact CD1-CG 4.49Å; Y410-K414 HydrophobicContact CE1-CD 3.75Å; Y410-K414 HydrophobicContact CE1-CG 4.09Å; Y410-K414 HydrophobicContact CE2-CG 4.49Å; Y410-K414 PolarHBondContact O-N 3.15Å; A411-K414 PolarHBondContact O-N 3.16Å; I412-K414 VanDerWaalsContact C-N 3.31Å; I412-K414 PolarHBondContact O-N 2.81Å; K414-C416 VanDerWaalsContact C-N 3.29Å; K414-C416 PolarHBondContact O-N 3.4Å; K414-W417 CarbonylContact O-C 3.53Å; K414-W417 PolarHBondContact O-N 2.69Å; K414-W417 VanDerWaalsContact O-N 3.13Å; K414-E418 PolarHBondContact O-N 3.25Å |
| 415 | L | 98.5 | Very high | 97.3 | Very high | 57 Ų | 57 | 53.5 Ų | 53.5 | 30% | 0.298 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.4 | -38.5 | 173.8 | -67.3 | 173.1 | 0 | 0 | 0 | 111.9 | A411 I412 M413 W417 P425 K433 | A411-L415 WeakPolarHBondContact O-CG 3.45Å; A411-L415 PolarHBondContact O-N 3.22Å; A411-L415 VanDerWaalsContact O-N 3.14Å; I412-L415 WeakPolarHBondContact O-CB 3.28Å; I412-L415 PolarHBondContact O-N 3.11Å; I412-L415 VanDerWaalsContact O-N 3.16Å; M413-L415 PolarHBondContact O-N 3.39Å; L415-W417 VanDerWaalsContact C-N 3.27Å; L415-W417 PolarHBondContact O-N 3.5Å; L415-P425 HydrophobicContact CB-CG 4.18Å; L415-K433 HydrophobicContact CD1-CD 3.89Å |
| 416 | C | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.4 | -31.3 | 175.6 | -66.8 | 0 | 0 | 0 | 0 | 112.5 | V363 I412 M413 K414 R424 | V363-C416 HydrophobicContact CG1-CB 4.12Å; V363-C416 VanDerWaalsContact O-CB 3.29Å; V363-C416 WeakPolarHBondContact O-CB 3.36Å; I412-C416 PolarHBondContact O-N 3.37Å; I412-C416 VanDerWaalsContact O-N 3.09Å; I412-C416 PolarHBondContact O-SG 2.92Å; I412-C416 VanDerWaalsContact O-SG 3.39Å; M413-C416 WeakPolarHBondContact O-CB 3.43Å; M413-C416 PolarHBondContact O-N 3.09Å; M413-C416 VanDerWaalsContact O-N 3.14Å; K414-C416 VanDerWaalsContact C-N 3.29Å; K414-C416 PolarHBondContact O-N 3.4Å; C416-R424 VanDerWaalsContact O-CD 3.25Å; C416-R424 WeakPolarHBondContact O-CD 3.44Å |
| 417 | W | 98.5 | Very high | 97.7 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.015 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 21.2 | -177.5 | -53.8 | -40 | 0 | 0 | 0 | 114.7 | W364 G367 V368 W371 R398 M399 Y410 M413 K414 L415 Q419 | W364-W417 AromaticContact CD2-CD1 3.83Å; W364-W417 AromaticContact CE2-CD1 3.94Å; W364-W417 HydrophobicContact CE3-CB 4.16Å; W364-W417 HydrophobicContact CH2-CB 4.19Å; W364-W417 HydrophobicContact CZ3-CB 3.9Å; W364-W417 WeakPolarHBondContact CZ3-O 3.27Å; W364-W417 PolarHBondContact O-NE1 3.35Å; G367-W417 VanDerWaalsContact C-CZ2 3.47Å; G367-W417 WeakPolarHBondContact O-CZ2 3.41Å; V368-W417 HydrophobicContact CG2-CZ2 4.46Å; W371-W417 HydrophobicContact CB-CH2 4.08Å; W371-W417 HydrophobicContact CB-CZ2 4.11Å; W371-W417 HydrophobicContact CG-CH2 4.34Å; R398-W417 HydrophobicContact CB-CE3 4.21Å; R398-W417 VanDerWaalsContact CD-CB 3.49Å; R398-W417 HydrophobicContact CG-CB 4.45Å; R398-W417 VanDerWaalsContact CZ-O 3.26Å; R398-W417 PolarHBondContact NE-O 3.13Å; R398-W417 PolarHBondContact NH2-O 3.06Å; M399-W417 HydrophobicContact CB-CH2 4.18Å; M399-W417 HydrophobicContact CB-CZ3 4.39Å; M399-W417 HydrophobicContact CE-CH2 3.81Å; M399-W417 HydrophobicContact CE-CZ2 3.6Å; Y410-W417 HydrophobicContact CE2-CZ3 4.19Å; M413-W417 HydrophobicContact CB-CE3 4.21Å; M413-W417 HydrophobicContact CB-CH2 3.81Å; M413-W417 HydrophobicContact CB-CZ2 4.19Å; M413-W417 HydrophobicContact CB-CZ3 3.82Å; M413-W417 HydrophobicContact CG-CH2 4.41Å; M413-W417 VanDerWaalsContact O-CD2 3.29Å; M413-W417 PolarHBondContact O-N 3.43Å; M413-W417 VanDerWaalsContact O-N 3.1Å; M413-W417 HydrophobicContact SD-CH2 4.19Å; K414-W417 CarbonylContact O-C 3.53Å; K414-W417 PolarHBondContact O-N 2.69Å; K414-W417 VanDerWaalsContact O-N 3.13Å; L415-W417 VanDerWaalsContact C-N 3.27Å; L415-W417 PolarHBondContact O-N 3.5Å; W417-Q419 PolarHBondContact O-N 2.79Å |
| 418 | E | 98.3 | Very high | 97.8 | Very high | 75 Ų | 75 | 48.9 Ų | 48.9 | 35% | 0.35 | 24% | 0.243 | S | C | . | . | trans | -54.6 | 133.6 | 168.2 | -78 | -65 | 156.1 | 0 | 0 | 110.8 | K414 E420 K423 R424 | K414-E418 PolarHBondContact O-N 3.25Å; E418-E420 VanDerWaalsContact C-N 3.33Å; E418-E420 PolarHBondContact O-N 3.21Å; E418-K423 HydrophobicContact CB-CB 3.91Å; E418-K423 HydrophobicContact CG-CB 4.03Å; E418-R424 HydrophobicContact CB-CG 3.85Å; E418-R424 PolarHBondContact O-NE 2.77Å; E418-R424 PolarHBondContact O-NH2 3.31Å | ||
| 419 | Q | 95.4 | Very high | 97.9 | Very high | 79 Ų | 79 | 52.9 Ų | 52.9 | 37% | 0.369 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -63 | -42.2 | -175.1 | -174.1 | 64.3 | 33.4 | 0 | 0 | 111.1 | W417 P421 | W417-Q419 PolarHBondContact O-N 2.79Å; Q419-P421 WeakPolarHBondContact O-CD 3.22Å |
| 420 | E | 95.4 | Very high | 97.9 | Very high | 102 Ų | 102 | 52.8 Ų | 52.8 | 48% | 0.477 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -84.4 | 120.6 | 176.6 | -68.7 | 175.9 | -113.4 | 0 | 0 | 110.2 | E418 R422 K423 | E418-E420 VanDerWaalsContact C-N 3.33Å; E418-E420 PolarHBondContact O-N 3.21Å; E420-R422 PolarHBondContact O-N 2.7Å; E420-K423 HydrophobicContact CB-CB 4.46Å; E420-K423 HydrophobicContact CB-CD 4.07Å; E420-K423 HydrophobicContact CB-CG 4.09Å; E420-K423 WeakPolarHBondContact O-CB 3.19Å; E420-K423 PolarHBondContact O-N 3.22Å; E420-K423 WeakPolarHBondContact OE1-CE 3.31Å; E420-K423 IonicContact OE1-NZ 3.29Å; E420-K423 PolarHBondContact OE1-NZ 2.96Å |
| 421 | P | 96.4 | Very high | 97.9 | Very high | 39 Ų | 39 | 53.7 Ų | 53.7 | 25% | 0.253 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -56.9 | -30.1 | -176.2 | -28 | 35.7 | 0 | 0 | 0 | 114.1 | E350 K360 Q419 K423 R424 | E350-P421 HydrophobicContact CB-CG 4.42Å; E350-P421 VanDerWaalsContact CD-CG 3.49Å; E350-P421 HydrophobicContact CG-CG 3.78Å; K360-P421 HydrophobicContact CB-CB 3.89Å; K360-P421 WeakPolarHBondContact CD-O 3.46Å; K360-P421 WeakPolarHBondContact CG-O 3.23Å; Q419-P421 WeakPolarHBondContact O-CD 3.22Å; P421-K423 VanDerWaalsContact C-N 3.29Å; P421-K423 PolarHBondContact O-N 3.25Å; P421-R424 WeakPolarHBondContact O-CB 3.4Å; P421-R424 PolarHBondContact O-N 3.41Å |
| 422 | R | 96.3 | Very high | 97.9 | Very high | 237 Ų | 237 | 54.9 Ų | 54.9 | 89% | 0.894 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -70.2 | -23.4 | 179.4 | -63.9 | -179.5 | -179.7 | -179.6 | -0.8 | 113.5 | E420 R424 | E420-R422 PolarHBondContact O-N 2.7Å; R422-R424 VanDerWaalsContact C-N 3.34Å |
| 423 | K | 98 | Very high | 97.9 | Very high | 118 Ų | 118 | 57.8 Ų | 57.8 | 51% | 0.513 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -81.3 | -17.1 | 176.9 | -68.2 | -178.1 | 175.8 | 168.1 | 0 | 112.4 | E418 E420 P421 | E418-K423 HydrophobicContact CB-CB 3.91Å; E418-K423 HydrophobicContact CG-CB 4.03Å; E420-K423 HydrophobicContact CB-CB 4.46Å; E420-K423 HydrophobicContact CB-CD 4.07Å; E420-K423 HydrophobicContact CB-CG 4.09Å; E420-K423 WeakPolarHBondContact O-CB 3.19Å; E420-K423 PolarHBondContact O-N 3.22Å; E420-K423 WeakPolarHBondContact OE1-CE 3.31Å; E420-K423 IonicContact OE1-NZ 3.29Å; E420-K423 PolarHBondContact OE1-NZ 2.96Å; P421-K423 VanDerWaalsContact C-N 3.29Å; P421-K423 PolarHBondContact O-N 3.25Å |
| 424 | R | 98.5 | Very high | 97.9 | Very high | 3 Ų | 3 | 57.9 Ų | 57.9 | 1% | 0.011 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -69.7 | 132.8 | 175.2 | -59.2 | 175.4 | -163.2 | 151.5 | 9 | 109.7 | E350 K360 V363 C416 E418 P421 R422 | E350-R424 IonicContact OE1-CZ 3.98Å; E350-R424 IonicContact OE1-NH1 2.74Å; E350-R424 PolarHBondContact OE1-NH1 3.23Å; E350-R424 IonicContact OE1-NH2 2.68Å; E350-R424 PolarHBondContact OE1-NH2 2.9Å; E350-R424 IonicContact OE2-CZ 2.79Å; E350-R424 IonicContact OE2-NH1 3.74Å; E350-R424 IonicContact OE2-NH2 3.8Å; E350-R424 PolarHBondContact OE2-NH2 2.7Å; K360-R424 HydrophobicContact CD-CB 4.32Å; K360-R424 PolarHBondContact NZ-O 3.17Å; K360-R424 WeakPolarHBondContact O-CD 3.39Å; K360-R424 PolarHBondContact O-NH1 3.49Å; V363-R424 HydrophobicContact CG1-CB 3.9Å; C416-R424 VanDerWaalsContact O-CD 3.25Å; C416-R424 WeakPolarHBondContact O-CD 3.44Å; E418-R424 HydrophobicContact CB-CG 3.85Å; E418-R424 PolarHBondContact O-NE 2.77Å; E418-R424 PolarHBondContact O-NH2 3.31Å; P421-R424 WeakPolarHBondContact O-CB 3.4Å; P421-R424 PolarHBondContact O-N 3.41Å; R422-R424 VanDerWaalsContact C-N 3.34Å |
| 425 | P | 98.1 | Very high | 97.8 | Very high | 23 Ų | 23 | 56.1 Ų | 56.1 | 15% | 0.149 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 163.8 | 177.2 | 28 | -35.6 | 0 | 0 | 0 | 111.9 | K360 L415 K429 L430 | K360-P425 PolarHBondContact NZ-O 2.97Å; L415-P425 HydrophobicContact CB-CG 4.18Å; P425-K429 HydrophobicContact CB-CB 4.12Å; P425-K429 HydrophobicContact CB-CG 4.31Å; P425-L430 HydrophobicContact CB-CD2 4.45Å; P425-L430 HydrophobicContact CB-CG 4.32Å; P425-L430 HydrophobicContact CG-CD1 4.29Å; P425-L430 HydrophobicContact CG-CD2 3.53Å; P425-L430 HydrophobicContact CG-CG 3.78Å |
| 426 | G | 98.1 | Very high | 97.7 | Very high | 19 Ų | 19 | 58.4 Ų | 58.4 | 20% | 0.196 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -78.5 | 165.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111 | S428 K429 L430 | G426-S428 VanDerWaalsContact C-N 3.28Å; G426-S428 PolarHBondContact O-N 2.76Å; G426-K429 PolarHBondContact O-N 3.49Å; G426-K429 VanDerWaalsContact O-N 3.15Å; G426-L430 PolarHBondContact O-N 3.36Å |
| 427 | F | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64 | -34.1 | -178.8 | -80.3 | -76.2 | 0 | 0 | 0 | 112.5 | C293 M296 E297 E300 D362 V363 Y366 K429 L430 R431 | C293-F427 PolarHBondContact SG-O 2.88Å; C293-F427 VanDerWaalsContact SG-O 3.4Å; M296-F427 HydrophobicContact CB-CD1 3.49Å; M296-F427 VanDerWaalsContact CB-CD1 3.49Å; M296-F427 HydrophobicContact CB-CD2 3.97Å; M296-F427 HydrophobicContact CB-CE1 3.35Å; M296-F427 HydrophobicContact CB-CE2 3.83Å; M296-F427 HydrophobicContact CB-CG 3.81Å; M296-F427 HydrophobicContact CB-CZ 3.53Å; M296-F427 HydrophobicContact CE-CE2 4.09Å; M296-F427 HydrophobicContact CE-CZ 3.93Å; M296-F427 HydrophobicContact CG-CD1 4.47Å; M296-F427 HydrophobicContact CG-CE1 3.9Å; M296-F427 HydrophobicContact CG-CZ 4Å; E297-F427 HydrophobicContact CB-CB 3.81Å; E297-F427 HydrophobicContact CG-CB 4.46Å; E300-F427 HydrophobicContact CB-CD2 4.24Å; E300-F427 PolarHBondContact OE2-N 3.36Å; D362-F427 HydrophobicContact CB-CE2 4.24Å; D362-F427 HydrophobicContact CB-CZ 4.24Å; V363-F427 HydrophobicContact CG2-CD2 4Å; V363-F427 HydrophobicContact CG2-CE1 4.41Å; V363-F427 HydrophobicContact CG2-CE2 3.61Å; V363-F427 HydrophobicContact CG2-CZ 3.84Å; Y366-F427 HydrophobicContact CD1-CE1 4.06Å; Y366-F427 HydrophobicContact CD2-CE1 4.21Å; Y366-F427 AromaticContact CG-CE1 3.76Å; Y366-F427 HydrophobicContact CG-CE1 3.76Å; F427-K429 VanDerWaalsContact C-N 3.29Å; F427-K429 PolarHBondContact O-N 3.35Å; F427-L430 HydrophobicContact CD1-CD1 4.14Å; F427-L430 HydrophobicContact CE1-CD1 4.44Å; F427-L430 WeakPolarHBondContact O-CB 3.44Å; F427-L430 PolarHBondContact O-N 3.43Å; F427-L430 VanDerWaalsContact O-N 3.11Å; F427-R431 PolarHBondContact O-N 2.98Å |
| 428 | S | 98.3 | Very high | 97.3 | Very high | 47 Ų | 47 | 61 Ų | 61 | 33% | 0.329 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56 | -42.9 | 173.9 | -156.7 | 0 | 0 | 0 | 0 | 112.6 | E297 G426 R431 E432 | E297-S428 VanDerWaalsContact OE1-CA 3.28Å; E297-S428 WeakPolarHBondContact OE1-CA 3.33Å; E297-S428 WeakPolarHBondContact OE1-CB 3.49Å; E297-S428 PolarHBondContact OE1-OG 2.88Å; G426-S428 VanDerWaalsContact C-N 3.28Å; G426-S428 PolarHBondContact O-N 2.76Å; S428-R431 WeakPolarHBondContact O-CB 3.49Å; S428-R431 PolarHBondContact O-N 3.5Å; S428-E432 PolarHBondContact O-N 3.23Å |
| 429 | K | 98.4 | Very high | 97.1 | Very high | 101 Ų | 101 | 61.2 Ų | 61.2 | 44% | 0.439 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -73.1 | -30.3 | 178.8 | -170 | 55.7 | 172.1 | -177 | 0 | 112.9 | P425 G426 F427 E432 K433 | P425-K429 HydrophobicContact CB-CB 4.12Å; P425-K429 HydrophobicContact CB-CG 4.31Å; G426-K429 PolarHBondContact O-N 3.49Å; G426-K429 VanDerWaalsContact O-N 3.15Å; F427-K429 VanDerWaalsContact C-N 3.29Å; F427-K429 PolarHBondContact O-N 3.35Å; K429-E432 WeakPolarHBondContact CD-OE2 3.38Å; K429-E432 IonicContact NZ-OE2 2.83Å; K429-E432 PolarHBondContact NZ-OE2 3.14Å; K429-K433 WeakPolarHBondContact O-CG 3.49Å; K429-K433 PolarHBondContact O-N 3.4Å |
| 430 | L | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.9 | -41 | 173.6 | -68.7 | 169.8 | 0 | 0 | 0 | 110.8 | V363 Y366 I412 P425 G426 F427 K433 L434 | V363-L430 HydrophobicContact CG1-CD1 3.97Å; V363-L430 HydrophobicContact CG2-CD1 4.37Å; Y366-L430 HydrophobicContact CD1-CD1 3.94Å; Y366-L430 HydrophobicContact CE1-CD1 4.19Å; I412-L430 HydrophobicContact CG2-CD2 3.64Å; P425-L430 HydrophobicContact CB-CD2 4.45Å; P425-L430 HydrophobicContact CB-CG 4.32Å; P425-L430 HydrophobicContact CG-CD1 4.29Å; P425-L430 HydrophobicContact CG-CD2 3.53Å; P425-L430 HydrophobicContact CG-CG 3.78Å; G426-L430 PolarHBondContact O-N 3.36Å; F427-L430 HydrophobicContact CD1-CD1 4.14Å; F427-L430 HydrophobicContact CE1-CD1 4.44Å; F427-L430 WeakPolarHBondContact O-CB 3.44Å; F427-L430 PolarHBondContact O-N 3.43Å; F427-L430 VanDerWaalsContact O-N 3.11Å; L430-K433 PolarHBondContact O-N 3.13Å; L430-L434 WeakPolarHBondContact O-CD1 3.19Å; L430-L434 WeakPolarHBondContact O-CG 3.47Å; L430-L434 PolarHBondContact O-N 3.24Å |
| 431 | R | 98.4 | Very high | 96.1 | Very high | 66 Ų | 66 | 62 Ų | 62 | 25% | 0.249 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.9 | -53.1 | 175.2 | -176.2 | 178.9 | 61 | 90.3 | -0.1 | 111.2 | L290 C293 E294 E297 F427 S428 K433 L434 E435 | L290-R431 HydrophobicContact CD1-CG 3.65Å; C293-R431 PolarHBondContact SG-N 3.1Å; C293-R431 VanDerWaalsContact SG-N 3.4Å; E294-R431 HydrophobicContact CG-CG 4.31Å; E297-R431 IonicContact OE1-NE 2.67Å; E297-R431 IonicContact OE1-NH2 3.92Å; E297-R431 WeakPolarHBondContact OE2-CD 2.91Å; E297-R431 IonicContact OE2-CZ 3.5Å; E297-R431 IonicContact OE2-NE 3.12Å; E297-R431 PolarHBondContact OE2-NE 3.03Å; F427-R431 PolarHBondContact O-N 2.98Å; S428-R431 WeakPolarHBondContact O-CB 3.49Å; S428-R431 PolarHBondContact O-N 3.5Å; R431-K433 PolarHBondContact O-N 3.03Å; R431-L434 PolarHBondContact O-N 2.87Å; R431-E435 HydrophobicContact CG-CG 4.46Å; R431-E435 WeakPolarHBondContact CG-OE1 3.48Å; R431-E435 IonicContact CZ-OE1 2.69Å; R431-E435 IonicContact NH1-OE1 3.52Å; R431-E435 PolarHBondContact NH1-OE1 3.31Å; R431-E435 IonicContact NH1-OE2 3.54Å; R431-E435 WeakPolarHBondContact O-CG 3.5Å; R431-E435 PolarHBondContact O-N 2.97Å |
| 432 | E | 98.2 | Very high | 95 | Very high | 70 Ų | 70 | 63.6 Ų | 63.6 | 33% | 0.327 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -53.4 | -41.8 | 177 | -71.2 | 174.3 | -169.5 | 0 | 0 | 112.4 | S428 K429 Q436 | S428-E432 PolarHBondContact O-N 3.23Å; K429-E432 WeakPolarHBondContact CD-OE2 3.38Å; K429-E432 IonicContact NZ-OE2 2.83Å; K429-E432 PolarHBondContact NZ-OE2 3.14Å; E432-Q436 VanDerWaalsContact O-CG 3.27Å; E432-Q436 WeakPolarHBondContact O-CG 3.47Å; E432-Q436 PolarHBondContact O-N 3.43Å; E432-Q436 VanDerWaalsContact O-N 3.14Å |
| 433 | K | 98.1 | Very high | 93 | Very high | 65 Ų | 65 | 58.1 Ų | 58.1 | 28% | 0.283 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.5 | -39.3 | 178.9 | -73.6 | 176.6 | 174.2 | -66.2 | 0 | 112 | I412 L415 K429 L430 R431 Q436 E437 | I412-K433 HydrophobicContact CD1-CB 3.85Å; I412-K433 HydrophobicContact CG1-CB 4.07Å; I412-K433 HydrophobicContact CG1-CD 4.41Å; L415-K433 HydrophobicContact CD1-CD 3.89Å; K429-K433 WeakPolarHBondContact O-CG 3.49Å; K429-K433 PolarHBondContact O-N 3.4Å; L430-K433 PolarHBondContact O-N 3.13Å; R431-K433 PolarHBondContact O-N 3.03Å; K433-Q436 WeakPolarHBondContact O-CB 3.3Å; K433-Q436 PolarHBondContact O-N 3.43Å; K433-E437 WeakPolarHBondContact O-CG 3.38Å; K433-E437 PolarHBondContact O-N 3.03Å |
| 434 | L | 97.5 | Very high | 90.4 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.2 | -39.1 | 177.2 | -71 | 159 | 0 | 0 | 0 | 111.9 | L286 L290 C293 Y366 I412 L430 R431 Q436 E437 L438 | L286-L434 HydrophobicContact CD2-CD2 4.2Å; L290-L434 HydrophobicContact CD1-CB 4.07Å; C293-L434 HydrophobicContact CB-CD1 3.85Å; Y366-L434 HydrophobicContact CE1-CD1 4.36Å; Y366-L434 WeakPolarHBondContact OH-CD1 3.45Å; I412-L434 HydrophobicContact CD1-CD2 3.82Å; I412-L434 HydrophobicContact CD1-CG 4.04Å; L430-L434 WeakPolarHBondContact O-CD1 3.19Å; L430-L434 WeakPolarHBondContact O-CG 3.47Å; L430-L434 PolarHBondContact O-N 3.24Å; R431-L434 PolarHBondContact O-N 2.87Å; L434-Q436 VanDerWaalsContact C-N 3.29Å; L434-Q436 PolarHBondContact O-N 3.45Å; L434-E437 PolarHBondContact O-N 2.83Å; L434-L438 WeakPolarHBondContact O-CB 3.27Å; L434-L438 PolarHBondContact O-N 2.89Å |
| 435 | E | 97.3 | Very high | 87.8 | Confident | 71 Ų | 71 | 62.9 Ų | 62.9 | 33% | 0.332 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.9 | -40.9 | 173.5 | -71.2 | 170.1 | 174.8 | 0 | 0 | 111.3 | L290 R431 L438 S439 | L290-E435 HydrophobicContact CD1-CG 3.8Å; L290-E435 HydrophobicContact CD2-CG 4.19Å; R431-E435 HydrophobicContact CG-CG 4.46Å; R431-E435 WeakPolarHBondContact CG-OE1 3.48Å; R431-E435 IonicContact CZ-OE1 2.69Å; R431-E435 IonicContact NH1-OE1 3.52Å; R431-E435 PolarHBondContact NH1-OE1 3.31Å; R431-E435 IonicContact NH1-OE2 3.54Å; R431-E435 WeakPolarHBondContact O-CG 3.5Å; R431-E435 PolarHBondContact O-N 2.97Å; E435-L438 PolarHBondContact O-N 3.41Å; E435-S439 PolarHBondContact O-N 3.05Å; E435-S439 PolarHBondContact O-OG 2.94Å |
| 436 | Q | 96.4 | Very high | 85.2 | Confident | 105 Ų | 105 | 66.5 Ų | 66.5 | 49% | 0.491 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.6 | -36.2 | 174 | -70.9 | 169.5 | 12.1 | 0 | 0 | 113.2 | E432 K433 L434 S439 K440 | E432-Q436 VanDerWaalsContact O-CG 3.27Å; E432-Q436 WeakPolarHBondContact O-CG 3.47Å; E432-Q436 PolarHBondContact O-N 3.43Å; E432-Q436 VanDerWaalsContact O-N 3.14Å; K433-Q436 WeakPolarHBondContact O-CB 3.3Å; K433-Q436 PolarHBondContact O-N 3.43Å; L434-Q436 VanDerWaalsContact C-N 3.29Å; L434-Q436 PolarHBondContact O-N 3.45Å; Q436-S439 PolarHBondContact O-OG 2.95Å; Q436-K440 WeakPolarHBondContact O-CG 3.2Å |
| 437 | E | 95.4 | Very high | 82.3 | Confident | 31 Ų | 31 | 70.3 Ų | 70.3 | 15% | 0.145 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -72.4 | -38.4 | 174.8 | -67.8 | -53.4 | 124.9 | 0 | 0 | 111.7 | L286 G408 I412 K433 L434 K440 T441 | L286-E437 HydrophobicContact CD1-CB 4.28Å; L286-E437 HydrophobicContact CD2-CB 3.97Å; G408-E437 WeakPolarHBondContact CA-OE2 3.37Å; I412-E437 HydrophobicContact CD1-CG 4.17Å; K433-E437 WeakPolarHBondContact O-CG 3.38Å; K433-E437 PolarHBondContact O-N 3.03Å; L434-E437 PolarHBondContact O-N 2.83Å; E437-K440 WeakPolarHBondContact O-CB 3.48Å; E437-K440 PolarHBondContact O-N 3.47Å; E437-K440 IonicContact OE1-NZ 3.68Å; E437-K440 PolarHBondContact OE1-NZ 3.09Å; E437-K440 IonicContact OE2-NZ 3.64Å; E437-T441 PolarHBondContact O-N 3.11Å |
| 438 | L | 93.9 | Very high | 79.4 | Confident | 27 Ų | 27 | 73.8 Ų | 73.8 | 14% | 0.141 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -66.2 | -39 | 178.5 | -173.1 | 65.4 | 0 | 0 | 0 | 111.7 | A283 L286 L290 L434 E435 K440 T441 S442 | A283-L438 HydrophobicContact CB-CD1 4.49Å; L286-L438 HydrophobicContact CB-CD1 3.77Å; L286-L438 HydrophobicContact CD1-CD1 4.45Å; L290-L438 HydrophobicContact CD2-CD2 4.11Å; L434-L438 WeakPolarHBondContact O-CB 3.27Å; L434-L438 PolarHBondContact O-N 2.89Å; E435-L438 PolarHBondContact O-N 3.41Å; L438-K440 VanDerWaalsContact C-N 3.27Å; L438-K440 PolarHBondContact O-N 3.5Å; L438-T441 PolarHBondContact O-N 3.2Å; L438-T441 VanDerWaalsContact O-N 3.08Å; L438-T441 PolarHBondContact O-OG1 3.48Å; L438-S442 PolarHBondContact O-N 3.11Å |
| 439 | S | 92.9 | Very high | 76.6 | Confident | 79 Ų | 79 | 77 Ų | 77 | 55% | 0.552 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.3 | -32.5 | 177.3 | 67.8 | 0 | 0 | 0 | 0 | 112.7 | E435 Q436 T441 S442 | E435-S439 PolarHBondContact O-N 3.05Å; E435-S439 PolarHBondContact O-OG 2.94Å; Q436-S439 PolarHBondContact O-OG 2.95Å; S439-T441 VanDerWaalsContact C-N 3.27Å; S439-T441 PolarHBondContact O-N 3.05Å; S439-S442 PolarHBondContact O-N 3.1Å |
| 440 | K | 90.8 | Very high | 73.7 | Confident | 140 Ų | 140 | 81.5 Ų | 81.5 | 61% | 0.609 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.7 | -25.4 | 174.3 | -64.9 | 168.1 | -169.3 | 174.4 | 0 | 113.4 | Q436 E437 L438 | Q436-K440 WeakPolarHBondContact O-CG 3.2Å; E437-K440 WeakPolarHBondContact O-CB 3.48Å; E437-K440 PolarHBondContact O-N 3.47Å; E437-K440 IonicContact OE1-NZ 3.68Å; E437-K440 PolarHBondContact OE1-NZ 3.09Å; E437-K440 IonicContact OE2-NZ 3.64Å; L438-K440 VanDerWaalsContact C-N 3.27Å; L438-K440 PolarHBondContact O-N 3.5Å |
| 441 | T | 80.7 | Confident | 70.7 | Confident | 57 Ų | 57 | 91 Ų | 91 | 35% | 0.35 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -86.2 | -11.2 | 178.7 | 58.7 | 0 | 0 | 0 | 0 | 113.8 | L286 E437 L438 S439 | L286-T441 HydrophobicContact CD1-CG2 3.77Å; E437-T441 PolarHBondContact O-N 3.11Å; L438-T441 PolarHBondContact O-N 3.2Å; L438-T441 VanDerWaalsContact O-N 3.08Å; L438-T441 PolarHBondContact O-OG1 3.48Å; S439-T441 VanDerWaalsContact C-N 3.27Å; S439-T441 PolarHBondContact O-N 3.05Å |
| 442 | S | 71.8 | Confident | 67.8 | Low | 73 Ų | 73 | 92.9 Ų | 92.9 | 51% | 0.51 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -80.4 | 130.2 | 174 | -59.8 | 0 | 0 | 0 | 0 | 109.2 | L438 S439 S444 | L438-S442 PolarHBondContact O-N 3.11Å; S439-S442 PolarHBondContact O-N 3.1Å; S442-S444 PolarHBondContact O-N 3.33Å |
| 443 | P | 55 | Low | 65 | Low | 122 Ų | 122 | 94.1 Ų | 94.1 | 79% | 0.792 | 59% | 0.594 | S | S | * | * | trans | -60.7 | 126.9 | 176.5 | 23.4 | -30 | 0 | 0 | 0 | 108.9 | S445 | P443-S445 PolarHBondContact O-N 2.68Š| ||
| 444 | S | 44.3 | Very low | 62.3 | Low | 105 Ų | 105 | 100.8 Ų | 100.8 | 73% | 0.734 | 62% | 0.623 | S | S | * | * | trans | -61.3 | 95.2 | 173.8 | 56.2 | 0 | 0 | 0 | 0 | 109.7 | S442 A446 | S442-S444 PolarHBondContact O-N 3.33Å; S444-A446 PolarHBondContact O-N 3.46Å | ||
| 445 | S | 43.1 | Very low | 59.9 | Low | 117 Ų | 117 | 107.7 Ų | 107.7 | 82% | 0.818 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -66 | 120.1 | 157.6 | 55.2 | 0 | 0 | 0 | 0 | 107.7 | P443 | P443-S445 PolarHBondContact O-N 2.68Š|
| 446 | A | 43.3 | Very low | 57.3 | Low | 99 Ų | 99 | 107.4 Ų | 107.4 | 82% | 0.818 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 93.5 | 67.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | S444 | S444-A446 PolarHBondContact O-N 3.46Š|
| 447 | A | 37.7 | Very low | 54.7 | Low | 98 Ų | 98 | 110.6 Ų | 110.6 | 81% | 0.81 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -153.7 | 63.7 | 147.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 448 | G | 37.9 | Very low | 52.2 | Low | 75 Ų | 75 | 120.8 Ų | 120.8 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -170.3 | 43.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 449 | S | 38.8 | Very low | 49.6 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -163.9 | 53.4 | 172.2 | 48.7 | 0 | 0 | 0 | 0 | 112 | ||
| 450 | Q | 37.6 | Very low | 47.5 | Very low | 195 Ų | 195 | 131.1 Ų | 131.1 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -151 | 59.4 | 160.8 | -75.9 | -162.1 | -11.5 | 0 | 0 | 111.1 | ||
| 451 | E | 36.3 | Very low | 45.2 | Very low | 200 Ų | 200 | 130.6 Ų | 130.6 | 94% | 0.935 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -156.6 | 34.5 | 159.8 | -131 | 171.2 | -170.8 | 0 | 0 | 114.5 | ||
| 452 | A | 36.4 | Very low | 43.2 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 86% | 0.86 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -132.9 | 54.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 453 | A | 39.8 | Very low | 41.5 | Very low | 97 Ų | 97 | 138.3 Ų | 138.3 | 80% | 0.802 | 86% | 0.863 | S | S | * | * | S | Bend | trans | -154 | 44.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 454 | K | 42.2 | Very low | 40.7 | Very low | 204 Ų | 204 | 139.3 Ų | 139.3 | 89% | 0.887 | 87% | 0.868 | S | S | * | * | S | Bend | trans | -144.4 | 44.8 | 169.3 | -84.4 | -165.2 | -179.9 | 174.3 | 0 | 112.4 | ||
| 455 | T | 45.7 | Very low | 40.5 | Very low | 147 Ų | 147 | 141.6 Ų | 141.6 | 90% | 0.902 | 88% | 0.877 | S | S | * | * | S | Bend | trans | -150.4 | 86.4 | 163.6 | 36.7 | 0 | 0 | 0 | 0 | 109 | ||
| 456 | G | 44 | Very low | 40.3 | Very low | 65 Ų | 65 | 143.4 Ų | 143.4 | 67% | 0.67 | 88% | 0.881 | S | S | * | * | trans | 168 | 55.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 457 | L | 41.8 | Very low | 40 | Very low | 173 Ų | 173 | 146.8 Ų | 146.8 | 91% | 0.906 | 89% | 0.886 | S | S | * | * | trans | -173 | 87 | 157.1 | -104.5 | 135.1 | 0 | 0 | 0 | 109.5 | ||||
| 458 | R | 41.4 | Very low | 40.2 | Very low | 245 Ų | 245 | 150.8 Ų | 150.8 | 93% | 0.925 | 89% | 0.892 | S | S | * | * | trans | -145 | 118 | 141.5 | -76.8 | -161 | 175.7 | 172 | -2.5 | 108.3 | ||||
| 459 | S | 40.9 | Very low | 40.4 | Very low | 190 Ų | 190 | 157.7 Ų | 157.7 | 100% | 1.329 | 90% | 0.903 | S | S | * | * | trans | -39.3 | 0 | 156.8 | 49.9 | 0 | 0 | 0 | 0 | 113.8 |
Retrieved 459 of 459 residues in 382.9 ms
(Link to these results)